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 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A01 compound treatment 0.38 -0.018 -0.66 0.397 -0.00176 -0.11 -0.5477 -0.8172 1424067 ChemDiv2_008449 COc1cc(cc(OC)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A02 mock treatment 0.392 -0.00598 -0.22 0.396 -0.00276 -0.18 -0.2818 -0.9948 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A03 compound treatment 0.342 -0.056 -2.06 0.343 -0.0558 -3.61 -4.0053 -0.9644 1346095 ChemDiv2_008450 Oc1c(CC(=O)Nc2ccc(F)cc2)c(=O)[nH]c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A04 mock treatment 0.39 -0.00798 -0.29 0.389 -0.00976 -0.63 -0.6541 -0.9391 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A05 compound treatment 0.383 -0.015 -0.55 0.397 -0.00176 -0.11 -0.4698 -0.8359 1331765 ChemDiv2_008451 Oc1cccc(NC(=O)C2CCCN2C(=O)OCc3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A06 mock treatment 0.39 -0.00798 -0.29 0.388 -0.0108 -0.7 -0.6998 -0.9261 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A07 compound treatment 0.387 -0.011 -0.4 0.387 -0.0118 -0.76 -0.8235 -0.9559 1514784 ChemDiv2_008452 COc1ccccc1n2cnc3cc(ccc23)C(=O)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A08 mock treatment 0.398 1.5E-5 0.0 0.393 -0.00576 -0.37 -0.2633 -0.7061 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A09 compound treatment 0.447 0.049 1.8 0.421 0.0222 1.44 2.2903 0.9938 1718899 ChemDiv2_008453 COc1ccc(cc1)n2c(SCC(=O)Nc3ccc(C)cc3)nc4[nH]nc(C)c4c2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A10 mock treatment 0.392 -0.00598 -0.22 0.391 -0.00776 -0.5 -0.5106 -0.9312 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A11 compound treatment 0.402 0.00402 0.15 0.415 0.0162 1.05 0.8472 0.7985 1989313 ChemDiv2_008454 Cc1ccc(NC(=O)C2CCC(CNC(=O)c3ccc(=O)[nH]c3)CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A12 mock treatment 0.402 0.00402 0.15 0.401 0.00224 0.14 0.2066 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A13 compound treatment 0.388 -0.00998 -0.37 0.389 -0.00976 -0.63 -0.706 -0.9665 1989314 ChemDiv2_008455 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCC(CC3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A14 mock treatment 0.394 -0.00398 -0.15 0.392 -0.00676 -0.44 -0.4129 -0.8948 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A15 compound treatment 0.383 -0.015 -0.55 0.387 -0.0118 -0.76 -0.9274 -0.9873 1989315 ChemDiv2_008456 CC1CCCCN1S(=O)(=O)c2ccc3n(CC(=O)NC4CCCCCCC4)c(=O)oc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A16 mock treatment 0.394 -0.00398 -0.15 0.393 -0.00576 -0.37 -0.3672 -0.9165 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A17 compound treatment 0.384 -0.014 -0.51 0.387 -0.0118 -0.76 -0.9014 -0.9816 1492557 ChemDiv2_008457 Cc1ccccc1OCc2nc(no2)c3ccc(NC(=O)c4ccco4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A18 mock treatment 0.391 -0.00698 -0.26 0.394 -0.00476 -0.31 -0.3993 -0.9958 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A19 compound treatment 0.386 -0.012 -0.44 0.389 -0.00976 -0.63 -0.758 -0.9844 1282339 ChemDiv2_008458 CCCNC(=O)Cn1cnc2sc(C(=O)NC(C)CC)c(C)c2c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A20 mock treatment 0.385 -0.013 -0.48 0.385 -0.0138 -0.89 -0.9669 -0.9571 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A21 compound treatment 0.389 -0.00898 -0.33 0.387 -0.0118 -0.76 -0.7716 -0.93 1989316 ChemDiv2_008459 Cc1ccc(cc1)S(=O)(=O)CCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A22 mock treatment 0.388 -0.00998 -0.37 0.392 -0.00676 -0.44 -0.5687 -0.9961 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A23 mock treatment 0.391 -0.00698 -0.26 0.389 -0.00976 -0.63 -0.6281 -0.9212 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 A24 mock treatment 0.368 -0.03 -1.1 0.393 -0.00576 -0.37 -1.0423 -0.8966 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B01 compound treatment 0.405 0.00702 0.26 0.42 0.0212 1.37 1.1539 0.8253 1194521 ChemDiv2_008460 CCOC(=O)c1ccccc1NC(=O)c2nn(c3ccccc3OC)c(=O)c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B02 mock treatment 0.399 0.00102 0.04 0.401 0.00224 0.14 0.1287 0.8611 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B03 compound treatment 0.417 0.019 0.7 0.417 0.0182 1.18 1.3282 0.9686 1989317 ChemDiv2_008461 CCCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B04 mock treatment 0.399 0.00102 0.04 0.4 0.00124 0.08 0.083 0.9395 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B05 compound treatment 0.413 0.015 0.55 0.414 0.0152 0.99 1.0871 0.9623 1297022 ChemDiv2_008462 O=C(NC1CC1)C2CN(C(=O)C2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B06 mock treatment 0.399 0.00102 0.04 0.399 2.37E-4 0.02 0.0372 0.9229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B07 compound treatment 0.411 0.013 0.48 0.408 0.00924 0.6 0.7606 0.9939 1199688 ChemDiv2_008463 CC(C)n1c2ccccc2c3nnc(SCC(=O)N4CCCCC4)nc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B08 mock treatment 0.409 0.011 0.4 0.412 0.0132 0.86 0.8917 0.9413 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B09 mock treatment 0.411 0.013 0.48 0.413 0.0142 0.92 0.9894 0.9533 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B10 mock treatment 0.408 0.01 0.37 0.404 0.00524 0.34 0.4997 0.9992 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B11 mock treatment 0.407 0.00902 0.33 0.406 0.00724 0.47 0.5652 0.9856 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B12 mock treatment 0.407 0.00902 0.33 0.403 0.00424 0.27 0.428 0.9956 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B13 mock treatment 0.406 0.00802 0.29 0.405 0.00624 0.4 0.4935 0.988 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B14 mock treatment 0.402 0.00402 0.15 0.4 0.00124 0.08 0.1609 0.9588 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B15 mock treatment 0.405 0.00702 0.26 0.405 0.00624 0.4 0.4675 0.9765 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B16 mock treatment 0.405 0.00702 0.26 0.404 0.00524 0.34 0.4218 0.9908 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B17 mock treatment 0.41 0.012 0.44 0.41 0.0112 0.73 0.8262 0.9713 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B18 mock treatment 0.404 0.00602 0.22 0.401 0.00224 0.14 0.2585 0.979 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B19 mock treatment 0.404 0.00602 0.22 0.408 0.00924 0.6 0.5788 0.9084 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B20 mock treatment 0.406 0.00802 0.29 0.4 0.00124 0.08 0.2647 0.8679 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B21 mock treatment 0.404 0.00602 0.22 0.405 0.00624 0.4 0.4416 0.9598 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B22 mock treatment 0.393 -0.00498 -0.18 0.394 -0.00476 -0.31 -0.3474 -0.969 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B23 mock treatment 0.395 -0.00298 -0.11 0.398 -7.63E-4 -0.05 -0.1124 -0.9352 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 B24 mock treatment 0.393 -0.00498 -0.18 0.391 -0.00776 -0.5 -0.4847 -0.9065 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C01 compound treatment 0.373 -0.025 -0.92 0.377 -0.0218 -1.41 -1.6446 -0.9784 1143982 ChemDiv2_008464 CC1=C(C(C2=C(CCCC2=O)N1)c3ccc4OCOc4c3)C(=O)N5CCCCC5 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C02 mock treatment 0.378 -0.02 -0.73 0.379 -0.0198 -1.28 -1.4233 -0.9652 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C03 compound treatment 0.347 -0.051 -1.87 0.35 -0.0488 -3.16 -3.5552 -0.9689 1618355 ChemDiv2_008465 CC(C)NC(=O)Cc1c(O)c2ccccc2[nH]c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C04 mock treatment 0.376 -0.022 -0.81 0.381 -0.0178 -1.15 -1.3837 -0.9851 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C05 compound treatment 0.378 -0.02 -0.73 0.379 -0.0198 -1.28 -1.4233 -0.9652 1705637 ChemDiv2_008466 CN(Cc1ccccc1)C(=O)CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C06 mock treatment 0.391 -0.00698 -0.26 0.382 -0.0168 -1.08 -0.9484 -0.8508 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C07 compound treatment 0.378 -0.02 -0.73 0.384 -0.0148 -0.96 -1.1945 -0.9915 1655642 ChemDiv2_008467 COc1ccc(cc1)n2cnc3cc(ccc23)C(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C08 mock treatment 0.392 -0.00598 -0.22 0.393 -0.00576 -0.37 -0.4191 -0.9682 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C09 compound treatment 0.387 -0.011 -0.4 0.385 -0.0138 -0.89 -0.915 -0.9359 1514737 ChemDiv2_008468 CCC(C)NC(=O)CSc1nc2[nH]nc(C)c2c(=N)n1c3ccc(OC)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C10 mock treatment 0.384 -0.014 -0.51 0.384 -0.0148 -0.96 -1.0387 -0.9576 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C11 compound treatment 0.381 -0.017 -0.62 0.398 -7.63E-4 -0.05 -0.476 -0.7607 1989318 ChemDiv2_008469 CCOc1ccc(NC(=O)C2CCC(CNC(=O)c3ccc(=O)[nH]c3)CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C12 mock treatment 0.381 -0.017 -0.62 0.386 -0.0128 -0.83 -1.0251 -0.9904 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C13 compound treatment 0.38 -0.018 -0.66 0.38 -0.0188 -1.21 -1.3256 -0.959 1989319 ChemDiv2_008470 COc1ccc(cc1)N(CC(=O)O)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C14 mock treatment 0.378 -0.02 -0.73 0.381 -0.0178 -1.15 -1.3317 -0.9765 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C15 compound treatment 0.376 -0.022 -0.81 0.381 -0.0178 -1.15 -1.3837 -0.9851 1989320 ChemDiv2_008471 CC1CCCN(C1)C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C16 mock treatment 0.385 -0.013 -0.48 0.386 -0.0128 -0.83 -0.9212 -0.9659 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C17 compound treatment 0.4 0.00202 0.07 0.397 -0.00176 -0.11 -0.0284 -0.2085 1989321 ChemDiv2_008472 Cc1ccccc1c2nc(no2)c3ccc(NC(=O)c4cccnc4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C18 mock treatment 0.394 -0.00398 -0.15 0.389 -0.00976 -0.63 -0.5502 -0.8484 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C19 compound treatment 0.378 -0.02 -0.73 0.383 -0.0158 -1.02 -1.2402 -0.9869 1989322 ChemDiv2_008473 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CCC4(CC3)OCCO4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C20 mock treatment 0.382 -0.016 -0.59 0.379 -0.0198 -1.28 -1.3194 -0.9376 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C21 compound treatment 0.381 -0.017 -0.62 0.385 -0.0138 -0.89 -1.0708 -0.9848 1989323 ChemDiv2_008474 COC(=O)c1cc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc(c1)C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C22 mock treatment 0.377 -0.021 -0.77 0.376 -0.0228 -1.47 -1.5865 -0.9543 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C23 mock treatment 0.372 -0.026 -0.95 0.374 -0.0248 -1.6 -1.8079 -0.9693 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 C24 mock treatment 0.374 -0.024 -0.88 0.379 -0.0198 -1.28 -1.5271 -0.9834 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D01 compound treatment 0.396 -0.00198 -0.07 0.398 -7.63E-4 -0.05 -0.0865 -0.982 1727057 ChemDiv2_008475 CCOc1ccc(cc1)n2nc(C(=O)Nc3cnc4ccccc4c3)c5ccccc5c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D02 mock treatment 0.396 -0.00198 -0.07 0.398 -7.63E-4 -0.05 -0.0865 -0.982 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D03 compound treatment 0.413 0.015 0.55 0.422 0.0232 1.5 1.4532 0.9073 1989324 ChemDiv2_008476 CC(N1C(=O)COc2ccccc12)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D04 mock treatment 0.4 0.00202 0.07 0.404 0.00524 0.34 0.292 0.8417 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D05 compound treatment 0.401 0.00302 0.11 0.412 0.0132 0.86 0.684 0.7919 1156347 ChemDiv2_008477 Clc1nc(NCc2cccnc2)nc(n1)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D06 mock treatment 0.391 -0.00698 -0.26 0.391 -0.00776 -0.5 -0.5366 -0.9513 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D07 compound treatment 0.422 0.024 0.88 0.411 0.0122 0.79 1.1835 0.9986 1636346 ChemDiv2_008478 CCn1cc(C(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)c(C)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D08 mock treatment 0.399 0.00102 0.04 0.399 2.37E-4 0.02 0.0372 0.9229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D09 mock treatment 0.397 -9.85E-4 -0.04 0.397 -0.00176 -0.11 -0.1063 -0.8877 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D10 mock treatment 0.393 -0.00498 -0.18 0.394 -0.00476 -0.31 -0.3474 -0.969 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D11 mock treatment 0.4 0.00202 0.07 0.397 -0.00176 -0.11 -0.0284 -0.2085 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D12 mock treatment 0.395 -0.00298 -0.11 0.399 2.37E-4 0.02 -0.0667 -0.6024 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D13 mock treatment 0.393 -0.00498 -0.18 0.399 2.37E-4 0.02 -0.1186 -0.6456 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D14 mock treatment 0.399 0.00102 0.04 0.4 0.00124 0.08 0.083 0.9395 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D15 mock treatment 0.396 -0.00198 -0.07 0.398 -7.63E-4 -0.05 -0.0865 -0.982 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D16 mock treatment 0.402 0.00402 0.15 0.399 2.37E-4 0.02 0.1151 0.7764 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D17 mock treatment 0.405 0.00702 0.26 0.409 0.0102 0.66 0.6506 0.9153 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D18 mock treatment 0.402 0.00402 0.15 0.401 0.00224 0.14 0.2066 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D19 mock treatment 0.396 -0.00198 -0.07 0.396 -0.00276 -0.18 -0.178 -0.9217 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D20 mock treatment 0.394 -0.00398 -0.15 0.389 -0.00976 -0.63 -0.5502 -0.8484 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D21 mock treatment 0.404 0.00602 0.22 0.4 0.00124 0.08 0.2128 0.9057 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D22 mock treatment 0.391 -0.00698 -0.26 0.392 -0.00676 -0.44 -0.4908 -0.9676 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D23 mock treatment 0.397 -9.85E-4 -0.04 0.399 2.37E-4 0.02 -0.0147 -0.3752 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 D24 mock treatment 0.393 -0.00498 -0.18 0.389 -0.00976 -0.63 -0.5762 -0.876 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E01 compound treatment 0.393 -0.00498 -0.18 0.394 -0.00476 -0.31 -0.3474 -0.969 1357818 ChemDiv2_008479 COc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E02 mock treatment 0.401 0.00302 0.11 0.4 0.00124 0.08 0.1349 0.9873 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E03 compound treatment 0.458 0.06 2.2 0.465 0.0662 4.29 4.5892 0.9522 1289185 ChemDiv2_008480 CCN(CC)c1ccc2cc(c3c(O)c4ccccc4[nH]c3=O)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E04 mock treatment 0.395 -0.00298 -0.11 0.392 -0.00676 -0.44 -0.387 -0.8577 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E05 compound treatment 0.398 1.5E-5 0.0 0.398 -7.63E-4 -0.05 -0.0345 -0.6992 1989325 ChemDiv2_008481 Clc1nc(NCCN2CCOCC2)nc(Nc3ccc(I)cc3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E06 mock treatment 0.396 -0.00198 -0.07 0.396 -0.00276 -0.18 -0.178 -0.9217 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E07 compound treatment 0.4 0.00202 0.07 0.397 -0.00176 -0.11 -0.0284 -0.2085 1226364 ChemDiv2_008482 CN(c1ccccc1)c2ncnc3sc(C(=O)N4CCC5(CC4)OCCO5)c(C)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E08 mock treatment 0.401 0.00302 0.11 0.404 0.00524 0.34 0.3179 0.8917 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E09 compound treatment 0.398 1.5E-5 0.0 0.401 0.00224 0.14 0.1027 0.7098 1989326 ChemDiv2_008483 COc1ccc(CCNC(=O)Cn2c(=O)oc3ccccc23)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E10 mock treatment 0.401 0.00302 0.11 0.403 0.00424 0.27 0.2722 0.9204 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E11 compound treatment 0.397 -9.85E-4 -0.04 0.399 2.37E-4 0.02 -0.0147 -0.3752 1989327 ChemDiv2_008484 Cc1nn(C)c(C)c1S(=O)(=O)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E12 mock treatment 0.4 0.00202 0.07 0.4 0.00124 0.08 0.1089 0.9992 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E13 compound treatment 0.4 0.00202 0.07 0.399 2.37E-4 0.02 0.0632 0.8358 1989328 ChemDiv2_008485 CC(N(c1ccc(C)cc1)S(=O)(=O)c2cccnc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E14 mock treatment 0.398 1.5E-5 0.0 0.403 0.00424 0.27 0.1943 0.7085 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E15 compound treatment 0.401 0.00302 0.11 0.407 0.00824 0.53 0.4552 0.8361 1989329 ChemDiv2_008486 O=C(NCc1cccs1)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E16 mock treatment 0.404 0.00602 0.22 0.41 0.0112 0.73 0.6704 0.8821 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E17 compound treatment 0.403 0.00502 0.18 0.404 0.00524 0.34 0.3699 0.9589 1989330 ChemDiv2_008487 O=C(Nc1ccc(cc1)c2noc(n2)c3cccs3)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E18 mock treatment 0.408 0.01 0.37 0.408 0.00924 0.6 0.6827 0.9728 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E19 compound treatment 0.396 -0.00198 -0.07 0.398 -7.63E-4 -0.05 -0.0865 -0.982 1989331 ChemDiv2_008488 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC2CCC(CC2)C(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E20 mock treatment 0.399 0.00102 0.04 0.401 0.00224 0.14 0.1287 0.8611 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E21 compound treatment 0.402 0.00402 0.15 0.401 0.00224 0.14 0.2066 1.0 1989332 ChemDiv2_008489 CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E22 mock treatment 0.392 -0.00598 -0.22 0.397 -0.00176 -0.11 -0.2361 -0.9534 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E23 mock treatment 0.396 -0.00198 -0.07 0.394 -0.00476 -0.31 -0.2695 -0.8509 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 E24 mock treatment 0.392 -0.00598 -0.22 0.391 -0.00776 -0.5 -0.5106 -0.9312 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F01 compound treatment 0.401 0.00302 0.11 0.402 0.00324 0.21 0.2264 0.9556 1695925 ChemDiv2_008490 CCOc1ccc(cc1)n2nc(C(=O)NC(C)C)c3ccccc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F02 mock treatment 0.405 0.00702 0.26 0.407 0.00824 0.53 0.5591 0.9443 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F03 compound treatment 0.408 0.01 0.37 0.409 0.0102 0.66 0.7285 0.9614 1989333 ChemDiv2_008491 CCC(N1C(=O)COc2ccccc12)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F04 mock treatment 0.407 0.00902 0.33 0.405 0.00624 0.4 0.5195 0.9952 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F05 compound treatment 0.406 0.00802 0.29 0.406 0.00724 0.47 0.5393 0.975 1636475 ChemDiv2_008492 Cc1ccccc1N(CC(=O)N2CCOCC2)S(=O)(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F06 mock treatment 0.405 0.00702 0.26 0.406 0.00724 0.47 0.5133 0.9604 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F07 compound treatment 0.41 0.012 0.44 0.407 0.00824 0.53 0.6889 0.9956 1519307 ChemDiv2_008493 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5cccs5)C(=O)CCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F08 mock treatment 0.406 0.00802 0.29 0.409 0.0102 0.66 0.6765 0.9333 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F09 mock treatment 0.411 0.013 0.48 0.41 0.0112 0.73 0.8521 0.9793 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F10 mock treatment 0.403 0.00502 0.18 0.404 0.00524 0.34 0.3699 0.9589 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F11 mock treatment 0.411 0.013 0.48 0.41 0.0112 0.73 0.8521 0.9793 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F12 mock treatment 0.397 -9.85E-4 -0.04 0.41 0.0112 0.73 0.4886 0.6711 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F13 mock treatment 0.406 0.00802 0.29 0.412 0.0132 0.86 0.8138 0.8985 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F14 mock treatment 0.41 0.012 0.44 0.409 0.0102 0.66 0.7804 0.9805 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F15 mock treatment 0.406 0.00802 0.29 0.413 0.0142 0.92 0.8596 0.8888 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F16 mock treatment 0.41 0.012 0.44 0.412 0.0132 0.86 0.9177 0.9524 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F17 mock treatment 0.418 0.02 0.73 0.423 0.0242 1.57 1.6288 0.9403 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F18 mock treatment 0.417 0.019 0.7 0.414 0.0152 0.99 1.191 0.9857 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F19 mock treatment 0.408 0.01 0.37 0.409 0.0102 0.66 0.7285 0.9614 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F20 mock treatment 0.404 0.00602 0.22 0.403 0.00424 0.27 0.3501 0.9943 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F21 mock treatment 0.409 0.011 0.4 0.404 0.00524 0.34 0.5256 0.9961 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F22 mock treatment 0.407 0.00902 0.33 0.404 0.00524 0.34 0.4737 0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F23 mock treatment 0.399 0.00102 0.04 0.398 -7.63E-4 -0.05 -0.0086 -0.1384 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 F24 mock treatment 0.404 0.00602 0.22 0.404 0.00524 0.34 0.3958 0.9785 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G01 compound treatment 0.388 -0.00998 -0.37 0.395 -0.00376 -0.24 -0.4315 -0.9802 1701949 ChemDiv2_008494 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3F)C(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G02 mock treatment 0.397 -9.85E-4 -0.04 0.4 0.00124 0.08 0.031 0.3532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G03 compound treatment 0.392 -0.00598 -0.22 0.395 -0.00376 -0.24 -0.3276 -0.9987 1169014 ChemDiv2_008495 CC1CCCCN1C(=O)Cn2cnc3sc(C(=O)NCc4cccnc4)c(C)c3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G04 mock treatment 0.405 0.00702 0.26 0.397 -0.00176 -0.11 0.1015 0.3602 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G05 compound treatment 0.422 0.024 0.88 0.423 0.0242 1.57 1.7326 0.9629 1989334 ChemDiv2_008496 OCCNc1nc(Nc2ccc(I)cc2)nc(n1)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G06 mock treatment 0.401 0.00302 0.11 0.403 0.00424 0.27 0.2722 0.9204 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G07 compound treatment 0.412 0.014 0.51 0.407 0.00824 0.53 0.7408 0.9998 1296044 ChemDiv2_008497 Cc1n[nH]c2nc(SCC(=O)NCc3ccccc3)n(c4ccccc4C)c(=N)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G08 mock treatment 0.402 0.00402 0.15 0.41 0.0112 0.73 0.6184 0.8335 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G09 compound treatment 0.401 0.00302 0.11 0.405 0.00624 0.4 0.3637 0.869 1371564 ChemDiv2_008498 CCOC(=O)Cc1csc(NC(=O)Cn2c(=O)oc3ccccc23)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G10 mock treatment 0.403 0.00502 0.18 0.404 0.00524 0.34 0.3699 0.9589 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G11 compound treatment 0.391 -0.00698 -0.26 0.393 -0.00576 -0.37 -0.4451 -0.9833 1989335 ChemDiv2_008499 O=S(=O)(NCc1ccccc1)c2c[nH]cn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G12 mock treatment 0.407 0.00902 0.33 0.411 0.0122 0.79 0.794 0.9251 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G13 compound treatment 0.398 1.5E-5 0.0 0.397 -0.00176 -0.11 -0.0803 -0.7037 1989336 ChemDiv2_008500 OC(=O)C(NS(=O)(=O)c1cccc2cccnc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G14 mock treatment 0.394 -0.00398 -0.15 0.401 0.00224 0.14 -0.0011 -0.0054 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G15 compound treatment 0.403 0.00502 0.18 0.402 0.00324 0.21 0.2783 0.9979 1989337 ChemDiv2_008501 CC1CCCC(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G16 mock treatment 0.397 -9.85E-4 -0.04 0.4 0.00124 0.08 0.031 0.3532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G17 compound treatment 0.412 0.014 0.51 0.41 0.0112 0.73 0.8781 0.9857 1989338 ChemDiv2_008502 O=C(Nc1ccc(cc1)c2noc(CCc3ccccc3)n2)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G18 mock treatment 0.404 0.00602 0.22 0.406 0.00724 0.47 0.4873 0.9412 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G19 compound treatment 0.398 1.5E-5 0.0 0.4 0.00124 0.08 0.057 0.712 1989339 ChemDiv2_008503 CCC(C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(NC(=O)C)cc2)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G20 mock treatment 0.399 0.00102 0.04 0.399 2.37E-4 0.02 0.0372 0.9229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G21 compound treatment 0.397 -9.85E-4 -0.04 0.396 -0.00276 -0.18 -0.152 -0.8333 1989340 ChemDiv2_008504 CCOC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G22 mock treatment 0.397 -9.85E-4 -0.04 0.4 0.00124 0.08 0.031 0.3532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G23 mock treatment 0.394 -0.00398 -0.15 0.394 -0.00476 -0.31 -0.3214 -0.942 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 G24 mock treatment 0.392 -0.00598 -0.22 0.396 -0.00276 -0.18 -0.2818 -0.9948 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H01 compound treatment 0.397 -9.85E-4 -0.04 0.402 0.00324 0.21 0.1225 0.5765 1230210 ChemDiv2_008505 COc1ccc(c(OC)c1)n2nc(C(=O)N(C)C3CCCCC3)c4ccccc4c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H02 mock treatment 0.4 0.00202 0.07 0.399 2.37E-4 0.02 0.0632 0.8358 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H03 compound treatment 0.4 0.00202 0.07 0.402 0.00324 0.21 0.2004 0.9023 1989341 ChemDiv2_008506 CC1Oc2ccccc2N(CC(=O)O)C1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H04 mock treatment 0.396 -0.00198 -0.07 0.398 -7.63E-4 -0.05 -0.0865 -0.982 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H05 compound treatment 0.413 0.015 0.55 0.415 0.0162 1.05 1.1329 0.9547 1472282 ChemDiv2_008507 O=C(CSCc1ccccc1)Nc2nnc(CSCc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H06 mock treatment 0.397 -9.85E-4 -0.04 0.397 -0.00176 -0.11 -0.1063 -0.8877 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H07 compound treatment 0.407 0.00902 0.33 0.406 0.00724 0.47 0.5652 0.9856 1503365 ChemDiv2_008508 CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)CC)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H08 mock treatment 0.399 0.00102 0.04 0.401 0.00224 0.14 0.1287 0.8611 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H09 mock treatment 0.397 -9.85E-4 -0.04 0.401 0.00224 0.14 0.0768 0.5146 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H10 mock treatment 0.402 0.00402 0.15 0.405 0.00624 0.4 0.3896 0.9068 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H11 mock treatment 0.397 -9.85E-4 -0.04 0.4 0.00124 0.08 0.031 0.3532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H12 mock treatment 0.397 -9.85E-4 -0.04 0.4 0.00124 0.08 0.031 0.3532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H13 mock treatment 0.399 0.00102 0.04 0.398 -7.63E-4 -0.05 -0.0086 -0.1384 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H14 mock treatment 0.401 0.00302 0.11 0.399 2.37E-4 0.02 0.0891 0.7974 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H15 mock treatment 0.401 0.00302 0.11 0.399 2.37E-4 0.02 0.0891 0.7974 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H16 mock treatment 0.398 1.5E-5 0.0 0.403 0.00424 0.27 0.1943 0.7085 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H17 mock treatment 0.404 0.00602 0.22 0.412 0.0132 0.86 0.7619 0.8613 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H18 mock treatment 0.399 0.00102 0.04 0.397 -0.00176 -0.11 -0.0543 -0.4526 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H19 mock treatment 0.398 1.5E-5 0.0 0.406 0.00724 0.47 0.3315 0.7079 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H20 mock treatment 0.396 -0.00198 -0.07 0.399 2.37E-4 0.02 -0.0407 -0.5465 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H21 mock treatment 0.398 1.5E-5 0.0 0.391 -0.00776 -0.5 -0.3548 -0.7063 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H22 mock treatment 0.396 -0.00198 -0.07 0.395 -0.00376 -0.24 -0.2237 -0.8802 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H23 mock treatment 0.403 0.00502 0.18 0.402 0.00324 0.21 0.2783 0.9979 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 H24 mock treatment 0.389 -0.00898 -0.33 0.39 -0.00876 -0.57 -0.6343 -0.9668 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I01 compound treatment 0.401 0.00302 0.11 0.399 2.37E-4 0.02 0.0891 0.7974 1169010 ChemDiv2_008509 Cc1cccc(NC(=O)c2ccccc2NC(=O)c3cccc(c3)S(=O)(=O)N4CCOCC4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I02 mock treatment 0.405 0.00702 0.26 0.404 0.00524 0.34 0.4218 0.9908 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I03 compound treatment 0.406 0.00802 0.29 0.406 0.00724 0.47 0.5393 0.975 1989342 ChemDiv2_008510 Cn1nc(CC(=O)NC2CCCCCC2)c3ccccc3c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I04 mock treatment 0.399 0.00102 0.04 0.397 -0.00176 -0.11 -0.0543 -0.4526 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I05 compound treatment 0.464 0.066 2.42 0.468 0.0692 4.48 4.8823 0.9584 1467572 ChemDiv2_008511 CC1CCN(CC1)C(=O)c2sc3ncn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)c3c2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I06 mock treatment 0.407 0.00902 0.33 0.408 0.00924 0.6 0.6567 0.9612 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I07 compound treatment 0.405 0.00702 0.26 0.403 0.00424 0.27 0.376 0.9995 1989343 ChemDiv2_008512 CCC(Sc1nc2[nH]nc(C)c2c(=N)n1c3ccccc3C)C(=O)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I08 mock treatment 0.405 0.00702 0.26 0.409 0.0102 0.66 0.6506 0.9153 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I09 compound treatment 0.405 0.00702 0.26 0.397 -0.00176 -0.11 0.1015 0.3602 1989344 ChemDiv2_008513 COc1ccc(OC)c(NC(=O)Cn2c(=O)oc3cc(Cl)ccc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I10 mock treatment 0.41 0.012 0.44 0.405 0.00624 0.4 0.5974 0.999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I11 compound treatment 0.405 0.00702 0.26 0.407 0.00824 0.53 0.5591 0.9443 1458316 ChemDiv2_008514 OC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I12 mock treatment 0.411 0.013 0.48 0.41 0.0112 0.73 0.8521 0.9793 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I13 compound treatment 0.409 0.011 0.4 0.411 0.0122 0.79 0.846 0.9514 1989345 ChemDiv2_008515 OC(=O)C1CCCN1S(=O)(=O)c2ccc3NC(=O)CCc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I14 mock treatment 0.405 0.00702 0.26 0.406 0.00724 0.47 0.5133 0.9604 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I15 compound treatment 0.405 0.00702 0.26 0.408 0.00924 0.6 0.6048 0.9292 1989346 ChemDiv2_008516 CCOC(=O)c1cc(c2ccc(F)cc2)n(CC(=O)Nc3nccs3)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I16 mock treatment 0.408 0.01 0.37 0.408 0.00924 0.6 0.6827 0.9728 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I17 compound treatment 0.402 0.00402 0.15 0.404 0.00524 0.34 0.3439 0.9305 1989347 ChemDiv2_008517 Brc1ccccc1c2nc(no2)c3ccc(NC(=O)c4cccnc4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I18 mock treatment 0.407 0.00902 0.33 0.408 0.00924 0.6 0.6567 0.9612 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I19 compound treatment 0.403 0.00502 0.18 0.409 0.0102 0.66 0.5986 0.8707 1989348 ChemDiv2_008518 COC(=O)c1ccc(NC(=O)C2CCCN2C(=O)OCc3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I20 mock treatment 0.4 0.00202 0.07 0.399 2.37E-4 0.02 0.0632 0.8358 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I21 compound treatment 0.399 0.00102 0.04 0.4 0.00124 0.08 0.083 0.9395 1989349 ChemDiv2_008519 COc1ccc(cc1)S(=O)(=O)CCC(=O)N(C)c2cc(C)ccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I22 mock treatment 0.41 0.012 0.44 0.41 0.0112 0.73 0.8262 0.9713 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I23 mock treatment 0.399 0.00102 0.04 0.397 -0.00176 -0.11 -0.0543 -0.4526 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 I24 mock treatment 0.399 0.00102 0.04 0.403 0.00424 0.27 0.2202 0.7959 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J01 compound treatment 0.392 -0.00598 -0.22 0.398 -7.63E-4 -0.05 -0.1903 -0.8449 1545932 ChemDiv2_008520 COc1cc(OC)cc(c1)n2nc(C(=O)NCc3ccccc3OC)c4ccccc4c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J02 mock treatment 0.397 -9.85E-4 -0.04 0.395 -0.00376 -0.24 -0.1978 -0.8033 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J03 compound treatment 0.392 -0.00598 -0.22 0.396 -0.00276 -0.18 -0.2818 -0.9948 1989350 ChemDiv2_008521 CC(N1C(=O)C(C)Oc2ccccc12)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J04 mock treatment 0.393 -0.00498 -0.18 0.398 -7.63E-4 -0.05 -0.1644 -0.8669 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J05 compound treatment 0.4 0.00202 0.07 0.399 2.37E-4 0.02 0.0632 0.8358 1227044 ChemDiv2_008522 C(Sc1ncnc2[nH]cnc12)c3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J06 mock treatment 0.402 0.00402 0.15 0.404 0.00524 0.34 0.3439 0.9305 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J07 compound treatment 0.396 -0.00198 -0.07 0.392 -0.00676 -0.44 -0.361 -0.8137 1463706 ChemDiv2_008523 CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccncc2)c(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J08 mock treatment 0.395 -0.00298 -0.11 0.397 -0.00176 -0.11 -0.1582 -0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J09 mock treatment 0.396 -0.00198 -0.07 0.397 -0.00176 -0.11 -0.1322 -0.9766 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J10 mock treatment 0.395 -0.00298 -0.11 0.397 -0.00176 -0.11 -0.1582 -0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J11 mock treatment 0.394 -0.00398 -0.15 0.397 -0.00176 -0.11 -0.1842 -0.9924 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J12 mock treatment 0.398 1.5E-5 0.0 0.396 -0.00276 -0.18 -0.126 -0.7049 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J13 mock treatment 0.399 0.00102 0.04 0.398 -7.63E-4 -0.05 -0.0086 -0.1384 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J14 mock treatment 0.393 -0.00498 -0.18 0.394 -0.00476 -0.31 -0.3474 -0.969 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J15 mock treatment 0.392 -0.00598 -0.22 0.391 -0.00776 -0.5 -0.5106 -0.9312 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J16 mock treatment 0.395 -0.00298 -0.11 0.397 -0.00176 -0.11 -0.1582 -0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J17 mock treatment 0.4 0.00202 0.07 0.401 0.00224 0.14 0.1547 0.9515 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J18 mock treatment 0.392 -0.00598 -0.22 0.395 -0.00376 -0.24 -0.3276 -0.9987 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J19 mock treatment 0.401 0.00302 0.11 0.398 -7.63E-4 -0.05 0.0434 0.3577 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J20 mock treatment 0.394 -0.00398 -0.15 0.393 -0.00576 -0.37 -0.3672 -0.9165 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J21 mock treatment 0.397 -9.85E-4 -0.04 0.396 -0.00276 -0.18 -0.152 -0.8333 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J22 mock treatment 0.389 -0.00898 -0.33 0.389 -0.00976 -0.63 -0.6801 -0.9541 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J23 mock treatment 0.39 -0.00798 -0.29 0.388 -0.0108 -0.7 -0.6998 -0.9261 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 J24 mock treatment 0.387 -0.011 -0.4 0.389 -0.00976 -0.63 -0.732 -0.9765 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K01 compound treatment 0.403 0.00502 0.18 0.397 -0.00176 -0.11 0.0495 0.2287 1438367 ChemDiv2_008524 CCOC(=O)CNc1ncnc2scc(c3ccccc3)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K02 mock treatment 0.396 -0.00198 -0.07 0.401 0.00224 0.14 0.0508 0.3135 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K03 compound treatment 0.399 0.00102 0.04 0.401 0.00224 0.14 0.1287 0.8611 1198168 ChemDiv2_008525 COc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K04 mock treatment 0.398 1.5E-5 0.0 0.399 2.37E-4 0.02 0.0112 0.7321 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K05 compound treatment 0.399 0.00102 0.04 0.405 0.00624 0.4 0.3117 0.7691 1715152 ChemDiv2_008526 O=c1[nH]c2ccc(cc2o1)S(=O)(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K06 mock treatment 0.404 0.00602 0.22 0.401 0.00224 0.14 0.2585 0.979 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K07 compound treatment 0.423 0.025 0.92 0.432 0.0332 2.15 2.1704 0.928 1508553 ChemDiv2_008527 COc1cccc(c1)n2c(SCC(=O)N3CC(C)CC(C)C3)nc4[nH]nc(C)c4c2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K08 mock treatment 0.416 0.018 0.66 0.409 0.0102 0.66 0.9362 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K09 compound treatment 0.398 1.5E-5 0.0 0.399 2.37E-4 0.02 0.0112 0.7321 1204787 ChemDiv2_008528 Cc1cc2c(=O)n(CC(=O)N3CCCCCC3)cnc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K10 mock treatment 0.403 0.00502 0.18 0.404 0.00524 0.34 0.3699 0.9589 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K11 compound treatment 0.395 -0.00298 -0.11 0.4 0.00124 0.08 -0.0209 -0.1541 1989351 ChemDiv2_008529 COc1ccc(cc1)N(CC(=O)O)S(=O)(=O)c2c(C)noc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K12 mock treatment 0.406 0.00802 0.29 0.41 0.0112 0.73 0.7223 0.9208 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K13 compound treatment 0.403 0.00502 0.18 0.405 0.00624 0.4 0.4156 0.9368 1989352 ChemDiv2_008530 COc1cccc(c1)C(=O)N2CCN(C(=O)c3ccc(F)cc3)c4ccccc4C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K14 mock treatment 0.403 0.00502 0.18 0.405 0.00624 0.4 0.4156 0.9368 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K15 compound treatment 0.374 -0.024 -0.88 0.377 -0.0218 -1.41 -1.6186 -0.9745 1989353 ChemDiv2_008531 CCOC(=O)c1cccc(NC(=O)Cn2c(=O)oc3cc(ccc23)S(=O)(=O)N4CCCC4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K16 mock treatment 0.412 0.014 0.51 0.417 0.0182 1.18 1.1984 0.9308 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K17 compound treatment 0.393 -0.00498 -0.18 0.396 -0.00276 -0.18 -0.2559 -0.9999 1989354 ChemDiv2_008532 CC(Oc1ccc(Cl)cc1Cl)c2nc(no2)c3ccc(NC(=O)c4cccnc4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K18 mock treatment 0.403 0.00502 0.18 0.403 0.00424 0.27 0.3241 0.9813 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K19 compound treatment 0.391 -0.00698 -0.26 0.387 -0.0118 -0.76 -0.7196 -0.8959 1643012 ChemDiv2_008533 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)N4CCc5ccccc5C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K20 mock treatment 0.403 0.00502 0.18 0.408 0.00924 0.6 0.5529 0.884 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K21 compound treatment 0.391 -0.00698 -0.26 0.392 -0.00676 -0.44 -0.4908 -0.9676 1989355 ChemDiv2_008534 O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K22 mock treatment 0.398 1.5E-5 0.0 0.399 2.37E-4 0.02 0.0112 0.7321 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K23 mock treatment 0.39 -0.00798 -0.29 0.391 -0.00776 -0.5 -0.5626 -0.9671 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 K24 mock treatment 0.401 0.00302 0.11 0.4 0.00124 0.08 0.1349 0.9873 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L01 compound treatment 0.415 0.017 0.62 0.415 0.0162 1.05 1.1848 0.9692 1666462 ChemDiv2_008535 CCCn1cnc2n(C)c(=O)[nH]c(=O)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L02 mock treatment 0.398 1.5E-5 0.0 0.4 0.00124 0.08 0.057 0.712 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L03 compound treatment 0.41 0.012 0.44 0.411 0.0122 0.79 0.8719 0.9619 1989356 ChemDiv2_008536 COCc1cc(nc(N)n1)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L04 mock treatment 0.404 0.00602 0.22 0.4 0.00124 0.08 0.2128 0.9057 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L05 compound treatment 0.443 0.045 1.65 0.429 0.0302 1.96 2.5525 0.9965 1915354 ChemDiv2_008537 Cc1nc2nc(cn2nc1C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L06 mock treatment 0.395 -0.00298 -0.11 0.4 0.00124 0.08 -0.0209 -0.1541 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L07 compound treatment 0.402 0.00402 0.15 0.405 0.00624 0.4 0.3896 0.9068 1423519 ChemDiv2_008538 CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccco2)c(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L08 mock treatment 0.395 -0.00298 -0.11 0.395 -0.00376 -0.24 -0.2497 -0.935 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L09 mock treatment 0.409 0.011 0.4 0.407 0.00824 0.53 0.6629 0.9907 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L10 mock treatment 0.394 -0.00398 -0.15 0.398 -7.63E-4 -0.05 -0.1384 -0.8961 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L11 mock treatment 0.407 0.00902 0.33 0.41 0.0112 0.73 0.7483 0.9365 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L12 mock treatment 0.401 0.00302 0.11 0.407 0.00824 0.53 0.4552 0.8361 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L13 mock treatment 0.408 0.01 0.37 0.409 0.0102 0.66 0.7285 0.9614 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L14 mock treatment 0.401 0.00302 0.11 0.398 -7.63E-4 -0.05 0.0434 0.3577 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L15 mock treatment 0.414 0.016 0.59 0.404 0.00524 0.34 0.6555 0.9657 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L16 mock treatment 0.399 0.00102 0.04 0.406 0.00724 0.47 0.3575 0.761 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L17 mock treatment 0.414 0.016 0.59 0.412 0.0132 0.86 1.0215 0.9832 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L18 mock treatment 0.4 0.00202 0.07 0.398 -7.63E-4 -0.05 0.0174 0.1956 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L19 mock treatment 0.404 0.00602 0.22 0.406 0.00724 0.47 0.4873 0.9412 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L20 mock treatment 0.405 0.00702 0.26 0.402 0.00324 0.21 0.3303 0.9947 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L21 mock treatment 0.407 0.00902 0.33 0.404 0.00524 0.34 0.4737 0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L22 mock treatment 0.393 -0.00498 -0.18 0.398 -7.63E-4 -0.05 -0.1644 -0.8669 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L23 mock treatment 0.403 0.00502 0.18 0.404 0.00524 0.34 0.3699 0.9589 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 L24 mock treatment 0.394 -0.00398 -0.15 0.397 -0.00176 -0.11 -0.1842 -0.9924 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M01 compound treatment 0.352 -0.046 -1.69 0.356 -0.0428 -2.77 -3.1508 -0.9719 1730870 ChemDiv2_008539 Cc1ccc(NC(=O)Cc2c(O)c3ccccc3[nH]c2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M02 mock treatment 0.394 -0.00398 -0.15 0.401 0.00224 0.14 -0.0011 -0.0054 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M03 compound treatment 0.398 1.5E-5 0.0 0.4 0.00124 0.08 0.057 0.712 1624115 ChemDiv2_008540 Cn1nc(CC(=O)N2CCN(CC2)c3ccccc3)c4ccccc4c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M04 mock treatment 0.399 0.00102 0.04 0.399 2.37E-4 0.02 0.0372 0.9229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M05 compound treatment 0.402 0.00402 0.15 0.406 0.00724 0.47 0.4354 0.8868 1775743 ChemDiv2_008541 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M06 mock treatment 0.406 0.00802 0.29 0.406 0.00724 0.47 0.5393 0.975 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M07 compound treatment 0.396 -0.00198 -0.07 0.397 -0.00176 -0.11 -0.1322 -0.9766 1346895 ChemDiv2_008542 Cc1n[nH]c2nc(SCC(=O)NCCc3ccccc3)n(c4cccc(C)c4)c(=N)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M08 mock treatment 0.399 0.00102 0.04 0.403 0.00424 0.27 0.2202 0.7959 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M09 compound treatment 0.398 1.5E-5 0.0 0.401 0.00224 0.14 0.1027 0.7098 1989357 ChemDiv2_008543 COc1ccc(CC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M10 mock treatment 0.396 -0.00198 -0.07 0.395 -0.00376 -0.24 -0.2237 -0.8802 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M11 compound treatment 0.394 -0.00398 -0.15 0.401 0.00224 0.14 -0.0011 -0.0054 1989358 ChemDiv2_008544 Cc1noc(C)c1S(=O)(=O)N(CC(=O)O)c2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M12 mock treatment 0.399 0.00102 0.04 0.394 -0.00476 -0.31 -0.1916 -0.6171 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M13 compound treatment 0.402 0.00402 0.15 0.403 0.00424 0.27 0.2981 0.9577 1989359 ChemDiv2_008545 O=C(N1CCNc2ccccc2C1)c3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M14 mock treatment 0.402 0.00402 0.15 0.404 0.00524 0.34 0.3439 0.9305 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M15 compound treatment 0.39 -0.00798 -0.29 0.395 -0.00376 -0.24 -0.3795 -0.9957 1989360 ChemDiv2_008546 CCOC(=O)c1ccc(NC(=O)Cn2c(=O)oc3cc(ccc23)S(=O)(=O)N4CCCC4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M16 mock treatment 0.4 0.00202 0.07 0.398 -7.63E-4 -0.05 0.0174 0.1956 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M17 compound treatment 0.375 -0.023 -0.84 0.375 -0.0238 -1.54 -1.6842 -0.9601 1657079 ChemDiv2_008547 CCOc1ccc(cc1)N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCC=C)c(=O)c3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M18 mock treatment 0.402 0.00402 0.15 0.404 0.00524 0.34 0.3439 0.9305 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M19 compound treatment 0.395 -0.00298 -0.11 0.394 -0.00476 -0.31 -0.2955 -0.9032 1433192 ChemDiv2_008548 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)N4CCN(Cc5ccccc5)CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M20 mock treatment 0.399 0.00102 0.04 0.402 0.00324 0.21 0.1745 0.8201 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M21 compound treatment 0.396 -0.00198 -0.07 0.394 -0.00476 -0.31 -0.2695 -0.8509 1315086 ChemDiv2_008549 COc1cccc(NC(=O)c2nn(c3cccc(OC)c3)c(=O)c4ccccc24)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M22 mock treatment 0.398 1.5E-5 0.0 0.398 -7.63E-4 -0.05 -0.0345 -0.6992 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M23 mock treatment 0.393 -0.00498 -0.18 0.392 -0.00676 -0.44 -0.4389 -0.9252 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 M24 mock treatment 0.387 -0.011 -0.4 0.393 -0.00576 -0.37 -0.549 -0.9992 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N01 compound treatment 0.405 0.00702 0.26 0.407 0.00824 0.53 0.5591 0.9443 1475530 ChemDiv2_008550 Cc1cc(C)nc(NCCO)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N02 mock treatment 0.392 -0.00598 -0.22 0.394 -0.00476 -0.31 -0.3734 -0.9863 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N03 compound treatment 0.397 -9.85E-4 -0.04 0.404 0.00524 0.34 0.2141 0.6281 1989361 ChemDiv2_008551 COc1nc(N)nc(CC(=O)C2CC2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N04 mock treatment 0.389 -0.00898 -0.33 0.395 -0.00376 -0.24 -0.4055 -0.9888 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N05 compound treatment 0.405 0.00702 0.26 0.407 0.00824 0.53 0.5591 0.9443 1279286 ChemDiv2_008552 Cn1c(=N)n(CC(=O)c2ccccc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N06 mock treatment 0.401 0.00302 0.11 0.398 -7.63E-4 -0.05 0.0434 0.3577 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N07 mock treatment 0.406 0.00802 0.29 0.399 2.37E-4 0.02 0.219 0.7429 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N08 mock treatment 0.396 -0.00198 -0.07 0.398 -7.63E-4 -0.05 -0.0865 -0.982 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N09 mock treatment 0.39 -0.00798 -0.29 0.401 0.00224 0.14 -0.105 -0.3211 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N10 mock treatment 0.398 1.5E-5 0.0 0.397 -0.00176 -0.11 -0.0803 -0.7037 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N11 mock treatment 0.395 -0.00298 -0.11 0.398 -7.63E-4 -0.05 -0.1124 -0.9352 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N12 mock treatment 0.393 -0.00498 -0.18 0.396 -0.00276 -0.18 -0.2559 -0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N13 mock treatment 0.407 0.00902 0.33 0.404 0.00524 0.34 0.4737 0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N14 mock treatment 0.393 -0.00498 -0.18 0.39 -0.00876 -0.57 -0.5304 -0.8901 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N15 mock treatment 0.4 0.00202 0.07 0.402 0.00324 0.21 0.2004 0.9023 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N16 mock treatment 0.399 0.00102 0.04 0.396 -0.00276 -0.18 -0.1001 -0.5479 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N17 mock treatment 0.397 -9.85E-4 -0.04 0.401 0.00224 0.14 0.0768 0.5146 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N18 mock treatment 0.4 0.00202 0.07 0.395 -0.00376 -0.24 -0.1199 -0.471 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N19 mock treatment 0.393 -0.00498 -0.18 0.4 0.00124 0.08 -0.0728 -0.3646 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N20 mock treatment 0.398 1.5E-5 0.0 0.395 -0.00376 -0.24 -0.1718 -0.7055 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N21 mock treatment 0.4 0.00202 0.07 0.398 -7.63E-4 -0.05 0.0174 0.1956 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N22 mock treatment 0.391 -0.00698 -0.26 0.391 -0.00776 -0.5 -0.5366 -0.9513 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N23 mock treatment 0.39 -0.00798 -0.29 0.396 -0.00276 -0.18 -0.3338 -0.9719 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 N24 mock treatment 0.39 -0.00798 -0.29 0.387 -0.0118 -0.76 -0.7456 -0.914 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O01 compound treatment 0.379 -0.019 -0.7 0.381 -0.0178 -1.15 -1.3058 -0.9713 1495944 ChemDiv2_008553 Oc1c(CC(=O)NC2CCCCCCC2)c(=O)[nH]c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O02 mock treatment 0.391 -0.00698 -0.26 0.393 -0.00576 -0.37 -0.4451 -0.9833 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O03 compound treatment 0.387 -0.011 -0.4 0.393 -0.00576 -0.37 -0.549 -0.9992 1650893 ChemDiv2_008554 O=C(CCS(=O)(=O)c1ccccc1)NCc2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O04 mock treatment 0.394 -0.00398 -0.15 0.391 -0.00776 -0.5 -0.4587 -0.8766 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O05 compound treatment 0.397 -9.85E-4 -0.04 0.395 -0.00376 -0.24 -0.1978 -0.8033 1639448 ChemDiv2_008555 COc1ccccc1n2cnc3cc(ccc23)C(=O)NCc4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O06 mock treatment 0.4 0.00202 0.07 0.398 -7.63E-4 -0.05 0.0174 0.1956 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O07 compound treatment 0.444 0.046 1.69 0.448 0.0492 3.19 3.4478 0.956 1633975 ChemDiv2_008556 Cc1n[nH]c2nc(SCC(=O)Nc3cccc(C)c3)n(c4cccc(C)c4)c(=N)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O08 mock treatment 0.388 -0.00998 -0.37 0.39 -0.00876 -0.57 -0.6603 -0.9777 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O09 compound treatment 0.385 -0.013 -0.48 0.392 -0.00676 -0.44 -0.6466 -0.9991 1989362 ChemDiv2_008557 Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O10 mock treatment 0.393 -0.00498 -0.18 0.396 -0.00276 -0.18 -0.2559 -0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O11 compound treatment 0.383 -0.015 -0.55 0.395 -0.00376 -0.24 -0.5613 -0.9328 1989363 ChemDiv2_008558 CC(NS(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1)C(=O)N3CCN(CC3)c4ccc(Cl)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O12 mock treatment 0.397 -9.85E-4 -0.04 0.39 -0.00876 -0.57 -0.4266 -0.7507 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O13 compound treatment 0.399 0.00102 0.04 0.388 -0.0108 -0.7 -0.4661 -0.6683 1989364 ChemDiv2_008559 CN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c2c(C)noc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O14 mock treatment 0.384 -0.014 -0.51 0.395 -0.00376 -0.24 -0.5353 -0.9419 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O15 compound treatment 0.381 -0.017 -0.62 0.391 -0.00776 -0.5 -0.7963 -0.9942 1989365 ChemDiv2_008560 Nc1ncc(Br)cc1S(=O)(=O)Nc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O16 mock treatment 0.402 0.00402 0.15 0.404 0.00524 0.34 0.3439 0.9305 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O17 compound treatment 0.38 -0.018 -0.66 0.388 -0.0108 -0.7 -0.9595 -0.9996 1485680 ChemDiv2_008561 CCCN(CCC)C(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N(C)c3ccccc3OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O18 mock treatment 0.399 0.00102 0.04 0.395 -0.00376 -0.24 -0.1458 -0.592 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O19 compound treatment 0.385 -0.013 -0.48 0.387 -0.0118 -0.76 -0.8754 -0.9746 1628120 ChemDiv2_008562 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)NCc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O20 mock treatment 0.386 -0.012 -0.44 0.392 -0.00676 -0.44 -0.6207 -1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O21 compound treatment 0.379 -0.019 -0.7 0.376 -0.0228 -1.47 -1.5346 -0.9416 1663953 ChemDiv2_008563 CCOc1ccc(NC(=O)c2nn(c3ccccc3OC)c(=O)c4ccccc24)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O22 mock treatment 0.394 -0.00398 -0.15 0.396 -0.00276 -0.18 -0.2299 -0.995 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O23 mock treatment 0.388 -0.00998 -0.37 0.389 -0.00976 -0.63 -0.706 -0.9665 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 O24 mock treatment 0.396 -0.00198 -0.07 0.387 -0.0118 -0.76 -0.5898 -0.7713 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P01 compound treatment 0.362 -0.036 -1.32 0.362 -0.0368 -2.38 -2.6166 -0.9615 1989366 ChemDiv2_008564 CN(c1ccc(F)cc1)S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P02 mock treatment 0.389 -0.00898 -0.33 0.391 -0.00776 -0.5 -0.5885 -0.9792 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P03 compound treatment 0.408 0.01 0.37 0.398 -7.63E-4 -0.05 0.2251 0.6067 1989367 ChemDiv2_008565 CCn1c(=O)n(CC)c2ccccc2c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P04 mock treatment 0.394 -0.00398 -0.15 0.39 -0.00876 -0.57 -0.5045 -0.8614 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P05 compound treatment 0.399 0.00102 0.04 0.406 0.00724 0.47 0.3575 0.761 1506259 ChemDiv2_008566 CCC1(CC)OC(Nc2ccccc21)c3ccc(NC(=O)C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P06 mock treatment 0.398 1.5E-5 0.0 0.4 0.00124 0.08 0.057 0.712 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P07 mock treatment 0.399 0.00102 0.04 0.401 0.00224 0.14 0.1287 0.8611 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P08 mock treatment 0.395 -0.00298 -0.11 0.4 0.00124 0.08 -0.0209 -0.1541 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P09 mock treatment 0.402 0.00402 0.15 0.409 0.0102 0.66 0.5727 0.8438 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P10 mock treatment 0.391 -0.00698 -0.26 0.389 -0.00976 -0.63 -0.6281 -0.9212 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P11 mock treatment 0.396 -0.00198 -0.07 0.392 -0.00676 -0.44 -0.361 -0.8137 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P12 mock treatment 0.393 -0.00498 -0.18 0.393 -0.00576 -0.37 -0.3932 -0.9463 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P13 mock treatment 0.393 -0.00498 -0.18 0.398 -7.63E-4 -0.05 -0.1644 -0.8669 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P14 mock treatment 0.394 -0.00398 -0.15 0.397 -0.00176 -0.11 -0.1842 -0.9924 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P15 mock treatment 0.401 0.00302 0.11 0.392 -0.00676 -0.44 -0.2312 -0.5121 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P16 mock treatment 0.396 -0.00198 -0.07 0.392 -0.00676 -0.44 -0.361 -0.8137 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P17 mock treatment 0.393 -0.00498 -0.18 0.406 0.00724 0.47 0.2017 0.4011 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P18 mock treatment 0.395 -0.00298 -0.11 0.393 -0.00576 -0.37 -0.3412 -0.8778 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P19 mock treatment 0.395 -0.00298 -0.11 0.398 -7.63E-4 -0.05 -0.1124 -0.9352 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P20 mock treatment 0.399 0.00102 0.04 0.396 -0.00276 -0.18 -0.1001 -0.5479 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P21 mock treatment 0.402 0.00402 0.15 0.398 -7.63E-4 -0.05 0.0693 0.4459 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P22 mock treatment 0.387 -0.011 -0.4 0.394 -0.00476 -0.31 -0.5032 -0.9912 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P23 mock treatment 0.393 -0.00498 -0.18 0.393 -0.00576 -0.37 -0.3932 -0.9463 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1393 P24 mock treatment 0.38 -0.018 -0.66 0.385 -0.0138 -0.89 -1.0968 -0.9892 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A01 compound treatment 0.337 -0.0564 -2.07 0.371 -0.023 -1.49 -2.5152 -0.9868 1083875 Enamine_000001 Fc1ccc(cc1)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A02 compound treatment 0.395 0.00161 0.06 0.395 0.00103 0.07 0.0891 0.9982 1514114 Enamine_000002 CC1(C)CC(=O)C=C(C1)Nc2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A03 compound treatment 0.39 -0.00339 -0.12 0.393 -9.69E-4 -0.06 -0.1323 -0.9497 1465612 Enamine_000003 O=C(NCc1ccccc1)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A04 compound treatment 0.39 -0.00339 -0.12 0.386 -0.00797 -0.52 -0.4526 -0.8532 2060505 Enamine_000004 c1coc(c1)c2nnc(o2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A05 compound treatment 0.398 0.00461 0.17 0.388 -0.00597 -0.39 -0.1533 -0.3636 2060506 Enamine_000005 CC(C)C1Nc2ccc(cc2NC1=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A06 compound treatment 0.386 -0.00739 -0.27 0.393 -9.69E-4 -0.06 -0.2361 -0.8482 2060507 Enamine_000006 Oc1n[n+](nn1c2cccc(Cl)c2)c3cccc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A07 compound treatment 0.373 -0.0204 -0.75 0.397 0.00303 0.2 -0.3907 -0.5048 1334319 Enamine_000007 CC(C)(C)N=c1scc(c2ccccc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A08 compound treatment 0.411 0.0176 0.65 0.398 0.00403 0.26 0.6418 0.9203 2060508 Enamine_000008 CC1(C)CC(=O)c2sc(NC(=O)/C=C/c3ccccc3)nc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A09 compound treatment 0.358 -0.0354 -1.3 0.358 -0.036 -2.33 -2.5647 -0.9621 1194594 Enamine_000009 CC1=CC(c2ccccc2)n3nc(N)nc3N1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A10 compound treatment 0.395 0.00161 0.06 0.393 -9.69E-4 -0.06 -0.0024 -0.0284 1160416 Enamine_000010 CC1CN(CC(O)COCc2ccccc2CC=C)CC(C)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A11 compound treatment 0.424 0.0306 1.12 0.419 0.025 1.62 1.9403 0.9841 2060509 Enamine_000011 ClCCCC(=O)Nc1sc2CCCc2c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A12 compound treatment 0.402 0.00861 0.32 0.403 0.00903 0.58 0.6369 0.9584 1322575 Enamine_000012 CCc1ccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A13 compound treatment 0.403 0.00961 0.35 0.402 0.00803 0.52 0.6171 0.9822 1179006 Enamine_000013 COC(=O)c1cccc(CSc2nc3ccccc3[nH]2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A14 compound treatment 0.399 0.00561 0.21 0.393 -9.69E-4 -0.06 0.1014 0.4708 1287987 Enamine_000014 COc1ccc2[nH]c(=NC(=O)c3ccc(Br)cc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A15 compound treatment 0.389 -0.00439 -0.16 0.387 -0.00697 -0.45 -0.4328 -0.9038 2060510 Enamine_000015 Cc1n[nH]c(C)c1c2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A16 compound treatment 0.387 -0.00639 -0.23 0.389 -0.00497 -0.32 -0.3932 -0.988 2060511 Enamine_000016 FC(F)(F)S(=O)(=O)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A17 compound treatment 0.386 -0.00739 -0.27 0.39 -0.00397 -0.26 -0.3734 -0.9996 1914550 Enamine_000017 C(Nn1cn[n+](Cc2ccccc2)c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A18 compound treatment 0.396 0.00261 0.1 0.392 -0.00197 -0.13 -0.0222 -0.1394 2060512 Enamine_000018 Brc1ccc(cc1)c2csc(CC#N)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A19 compound treatment 0.385 -0.00839 -0.31 0.388 -0.00597 -0.39 -0.4909 -0.9937 1537252 Enamine_000019 CC1Cc2ccccc2N1C(=O)C3(CCCC3)S(=O)(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A20 compound treatment 0.383 -0.0104 -0.38 0.392 -0.00197 -0.13 -0.3598 -0.8947 2060513 Enamine_000020 CC(=O)Nc1cccc2nc(C)sc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A21 compound treatment 0.388 -0.00539 -0.2 0.385 -0.00897 -0.58 -0.5503 -0.8974 2060514 Enamine_000021 Brc1ccc(NC2=Nc3ccccc3CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A22 compound treatment 0.395 0.00161 0.06 0.39 -0.00397 -0.26 -0.1397 -0.5301 1513176 Enamine_000022 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)N(CCO)CCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A23 mock treatment 0.392 -0.00139 -0.05 0.39 -0.00397 -0.26 -0.2176 -0.8312 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 A24 mock treatment 0.708 0.315 11.55 0.38 -0.014 -0.9 7.5302 0.6498 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B01 compound treatment 0.403 0.00961 0.35 0.409 0.015 0.97 0.9374 0.9059 2060515 Enamine_000023 CN1/C(=C/C=N/O)/C(C)(C)c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B02 compound treatment 0.403 0.00961 0.35 0.403 0.00903 0.58 0.6629 0.9709 1363536 Enamine_000024 Cc1nc2ccc(cc2s1)n3ccc(=O)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B03 compound treatment 0.404 0.0106 0.39 0.407 0.013 0.84 0.8719 0.9385 2060516 Enamine_000025 COc1ccc(cc1)[N+]2=C3CCc4ccccc4N3CC2(C)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B04 compound treatment 0.405 0.0116 0.43 0.408 0.014 0.91 0.9436 0.9406 2060517 Enamine_000026 CCN1CCN(CC1)C(=O)CC2(OCCO2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B05 compound treatment 0.406 0.0126 0.46 0.416 0.022 1.43 1.3356 0.891 2060518 Enamine_000027 O/C(=N\c1nc2CCCCc2s1)/C=C/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B06 compound treatment 0.42 0.0266 0.98 0.417 0.023 1.49 1.7449 0.9791 2060519 Enamine_000028 Brc1ccc(o1)C(=O)Nc2ccccc2I 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B07 compound treatment 0.414 0.0206 0.76 0.423 0.029 1.88 1.8637 0.9201 1590083 Enamine_000029 COC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B08 compound treatment 0.409 0.0156 0.57 0.416 0.022 1.43 1.4135 0.9199 2060520 Enamine_000030 CC(CCC(=O)O)C1CCC2C3CCC4C[C@H](O)CCC4(C)C3CC(=O)C12C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B09 compound treatment 0.408 0.0146 0.54 0.411 0.017 1.1 1.1588 0.9453 1710139 Enamine_000031 O=C(N=c1nc2ccccn2s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B10 compound treatment 0.411 0.0176 0.65 0.411 0.017 1.1 1.2367 0.9677 2060521 Enamine_000032 Cc1csc(CC(=O)N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B11 compound treatment 0.399 0.00561 0.21 0.404 0.01 0.65 0.6048 0.8879 1247425 Enamine_000033 CN(C1CCS(=O)(=O)C1)C(=O)COc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B12 compound treatment 0.473 0.0796 2.92 0.456 0.062 4.01 4.9057 0.9879 1215332 Enamine_000034 CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc(Cl)cc3)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B13 compound treatment 0.407 0.0136 0.5 0.412 0.018 1.17 1.1786 0.9284 2060522 Enamine_000035 COc1ccc(cc1)N2C3=[N+](CC2(O)c4ccccc4)CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B14 compound treatment 0.51 0.117 4.28 0.517 0.123 7.96 8.6577 0.9577 2060523 Enamine_000036 CCN1/C(=C\C=C\C(=O)c2ccccc2OC)/Sc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B15 compound treatment 0.406 0.0126 0.46 0.406 0.012 0.78 0.878 0.9692 2060524 Enamine_000037 Cc1ccc(cc1)/C(=N/c2nc3CCCCc3s2)/O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B16 compound treatment 0.391 -0.00239 -0.09 0.397 0.00303 0.2 0.0767 0.3571 2060525 Enamine_000038 CN1C/C(=C\c2ccccn2)/C(=O)\C(=C/c3ccccn3)\C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B17 compound treatment 0.411 0.0176 0.65 0.416 0.022 1.43 1.4655 0.9361 2060526 Enamine_000039 CC(C)N1C(SCC1=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B18 compound treatment 0.474 0.0806 2.96 0.462 0.068 4.4 5.2062 0.9814 1519734 Enamine_000040 COc1ccc2c(c1)oc(=O)c3ccccc32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B19 compound treatment 0.405 0.0116 0.43 0.406 0.012 0.78 0.8521 0.9599 2060527 Enamine_000041 NC(=O)c1cc2ccccc2oc1=Nc3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B20 compound treatment 0.393 -3.87E-4 -0.01 0.404 0.01 0.65 0.449 0.6915 2060528 Enamine_000042 OC(c1ccc(NC(=O)COc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B21 compound treatment 0.404 0.0106 0.39 0.402 0.00803 0.52 0.6431 0.9899 2060529 Enamine_000043 OC(=O)CC1CS(=O)(=O)C(=C1)Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B22 compound treatment 0.403 0.00961 0.35 0.403 0.00903 0.58 0.6629 0.9709 1416354 Enamine_000044 CC(C)COc1ccc(N)cc1OCC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B23 mock treatment 0.395 0.00161 0.06 0.402 0.00803 0.52 0.4094 0.7826 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 B24 mock treatment 0.393 -3.87E-4 -0.01 0.394 3.13E-5 0.0 -0.0086 -0.6005 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C01 compound treatment 0.376 -0.0174 -0.64 0.38 -0.014 -0.9 -1.0907 -0.9855 2060530 Enamine_000045 CCN1C(=O)c2cccc3c(Cl)cc(Cl)c1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C02 compound treatment 0.381 -0.0124 -0.45 0.382 -0.012 -0.77 -0.8693 -0.9678 2060531 Enamine_000046 N#C/C(=C\1/CCCCCN1)/c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C03 compound treatment 0.379 -0.0144 -0.53 0.381 -0.013 -0.84 -0.967 -0.9751 1026531 Enamine_000047 Cc1ccc(cc1)C(=O)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C04 compound treatment 0.382 -0.0114 -0.42 0.381 -0.013 -0.84 -0.8891 -0.9482 2060532 Enamine_000048 Cc1nc2cc(ccc2n1C)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C05 compound treatment 0.381 -0.0124 -0.45 0.385 -0.00897 -0.58 -0.732 -0.9927 1020452 Enamine_000049 Cc1ccccc1C(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C06 compound treatment 0.396 0.00261 0.1 0.394 3.13E-5 0.0 0.0693 0.7218 2060533 Enamine_000050 O=S(=O)(c1ccccc1)C2(CCCC2)S(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C07 compound treatment 0.495 0.102 3.73 0.482 0.088 5.7 6.6667 0.979 1189587 Enamine_000051 COc1ccccc1N=c2[nH]c(cs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C08 compound treatment 0.392 -0.00139 -0.05 0.393 -9.69E-4 -0.06 -0.0803 -0.9947 2060534 Enamine_000052 Cn1ccnc1C(=O)c2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C09 compound treatment 0.411 0.0176 0.65 0.414 0.02 1.3 1.3739 0.9484 1316979 Enamine_000053 COc1ccc2cc(c3nc4ccccc4[nH]3)c(=N)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C10 compound treatment 0.402 0.00861 0.32 0.401 0.00703 0.46 0.5454 0.9842 2060535 Enamine_000054 O=C(Sc1cccc2cccnc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C11 compound treatment 0.393 -3.87E-4 -0.01 0.39 -0.00397 -0.26 -0.1917 -0.7451 2060536 Enamine_000055 CC12CCC3C(CCC4C[C@H](O)CCC43C)C2CCC1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C12 compound treatment 0.394 6.13E-4 0.02 0.394 3.13E-5 0.0 0.0173 0.7675 1261830 Enamine_000056 CCOc1ccc2[nH]c(=NC(=O)C(C)C)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C13 compound treatment 0.385 -0.00839 -0.31 0.385 -0.00897 -0.58 -0.6282 -0.9561 1087624 Enamine_000057 CN(C)C(=S)SCC(=O)Nc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C14 compound treatment 0.384 -0.00939 -0.34 0.384 -0.00997 -0.65 -0.6999 -0.9569 2060537 Enamine_000058 CCN(CC)C(=O)COc1ccc(CC)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C15 compound treatment 0.382 -0.0114 -0.42 0.376 -0.018 -1.16 -1.1179 -0.9047 2060538 Enamine_000059 Cn1c(COc2ccccc2O)[n+](C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C16 compound treatment 0.394 6.13E-4 0.02 0.396 0.00203 0.13 0.1089 0.8163 2060539 Enamine_000060 Cc1ccc(NC(=O)Cc2cccs2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C17 compound treatment 0.414 0.0206 0.76 0.419 0.025 1.62 1.6806 0.94 1467148 Enamine_000061 CC(C)C(C(=O)Nc1nccs1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C18 compound treatment 0.393 -3.87E-4 -0.01 0.391 -0.00297 -0.19 -0.1459 -0.7574 2060540 Enamine_000062 C(=N/c1ncccn1)\c2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C19 compound treatment 0.388 -0.00539 -0.2 0.389 -0.00497 -0.32 -0.3672 -0.9728 1611874 Enamine_000063 CCOc1ccc2[nH]c(=NC(=O)c3ccc(cc3)C(C)(C)C)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C20 compound treatment 0.415 0.0216 0.79 0.419 0.025 1.62 1.7066 0.9461 1534951 Enamine_000064 N#CCc1nc(cs1)c2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C21 compound treatment 0.425 0.0316 1.16 0.414 0.02 1.3 1.7375 0.9985 1032906 Enamine_000065 Oc1ccc(Br)cc1c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C22 compound treatment 0.373 -0.0204 -0.75 0.383 -0.011 -0.71 -1.0313 -0.9996 1430435 Enamine_000066 O=C(CNc1ccncc1)c2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C23 mock treatment 0.377 -0.0164 -0.6 0.376 -0.018 -1.16 -1.2477 -0.953 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 C24 mock treatment 0.378 -0.0154 -0.57 0.38 -0.014 -0.9 -1.0387 -0.9744 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D01 compound treatment 0.403 0.00961 0.35 0.404 0.01 0.65 0.7086 0.959 2060541 Enamine_000067 Nc1ccc(/C=C\C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D02 compound treatment 0.393 -3.87E-4 -0.01 0.399 0.00503 0.33 0.2202 0.6756 1677572 Enamine_000068 Oc1ccccc1C(=O)Nc2nc[nH]n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D03 compound treatment 0.41 0.0166 0.61 0.406 0.012 0.78 0.9819 0.9927 1244157 Enamine_000069 Cc1cc2ccccn2c1C(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D04 compound treatment 0.406 0.0126 0.46 0.393 -9.69E-4 -0.06 0.2832 0.6059 1395295 Enamine_000070 Cc1nc2cc(ccc2n1c3ccccc3)n4c(C)cc(=O)cc4C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D05 compound treatment 0.396 0.00261 0.1 0.391 -0.00297 -0.19 -0.068 -0.3166 1604713 Enamine_000071 Nc1nc2NC(=CC(c3ccc(Br)cc3)n2n1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D06 compound treatment 0.397 0.00361 0.13 0.395 0.00103 0.07 0.141 0.9494 1499966 Enamine_000072 Clc1ccc(cc1)C(=O)N(Cc2ccccc2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D07 compound treatment 0.395 0.00161 0.06 0.403 0.00903 0.58 0.4551 0.7748 1043897 Enamine_000073 CC(=O)Nc1ccc2oc(=O)ccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D08 compound treatment 0.459 0.0656 2.41 0.459 0.065 4.21 4.6794 0.965 1727371 Enamine_000074 CC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D09 compound treatment 0.393 -3.87E-4 -0.01 0.401 0.00703 0.46 0.3117 0.6847 1628396 Enamine_000075 COC(=O)NC1CCS(=O)(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D10 compound treatment 0.428 0.0346 1.27 0.426 0.032 2.07 2.3645 0.9724 2060542 Enamine_000076 CC(C)(C)c1csc(NC(=O)/C=C/c2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D11 compound treatment 0.401 0.00761 0.28 0.4 0.00603 0.39 0.4737 0.9866 1706368 Enamine_000077 Cc1nn(c2ccccc2)c3nc(O)cc(C)c13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D12 compound treatment 0.397 0.00361 0.13 0.395 0.00103 0.07 0.141 0.9494 1741266 Enamine_000078 COc1ccc2c(C)cc3nncn3c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D13 compound treatment 0.418 0.0246 0.9 0.43 0.036 2.33 2.2878 0.9149 1463660 Enamine_000079 CC(C)(C)c1ccc(O)c(c1O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D14 compound treatment 0.399 0.00561 0.21 0.394 3.13E-5 0.0 0.1472 0.714 2060543 Enamine_000080 CC(C)CCSc1nc2ncn(C)c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D15 compound treatment 0.431 0.0376 1.38 0.428 0.034 2.2 2.5339 0.9747 2060544 Enamine_000081 Cc1ccc2nc(/N=C(\O)/C=C/c3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D16 compound treatment 0.408 0.0146 0.54 0.406 0.012 0.78 0.93 0.9835 2060545 Enamine_000082 O/N=C/1\CCC\C1=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D17 compound treatment 0.408 0.0146 0.54 0.408 0.014 0.91 1.0215 0.9685 1120321 Enamine_000083 CC(=O)Nc1ncnc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D18 compound treatment 0.431 0.0376 1.38 0.422 0.028 1.81 2.2593 0.991 2060546 Enamine_000084 Oc1ccc2ccccc2c1/C=N/Cc3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D19 compound treatment 0.398 0.00461 0.17 0.402 0.00803 0.52 0.4873 0.8914 2060547 Enamine_000085 CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D20 compound treatment 0.381 -0.0124 -0.45 0.388 -0.00597 -0.39 -0.5948 -0.9967 2060548 Enamine_000086 c1[nH]nc(c1c2nc3ccccc3[nH]2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D21 compound treatment 0.432 0.0386 1.42 0.418 0.024 1.56 2.1023 0.9989 1592397 Enamine_000087 C1CCC(=Nc2nc(Nc3ccccc3)cs2)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D22 compound treatment 0.406 0.0126 0.46 0.405 0.011 0.71 0.8323 0.9781 2060549 Enamine_000088 CC(C)(Oc1ccccc1OC(=O)c2ccccc2)C(=O)CBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D23 mock treatment 0.4 0.00661 0.24 0.394 3.13E-5 0.0 0.1731 0.713 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 D24 mock treatment 0.392 -0.00139 -0.05 0.387 -0.00697 -0.45 -0.3549 -0.782 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E01 compound treatment 0.402 0.00861 0.32 0.403 0.00903 0.58 0.6369 0.9584 1130564 Enamine_000089 CCOC(=O)c1c(NC(=O)C)scc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E02 compound treatment 0.402 0.00861 0.32 0.404 0.01 0.65 0.6827 0.9454 2060550 Enamine_000090 COCc1cnc(C)nc1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E03 compound treatment 0.4 0.00661 0.24 0.401 0.00703 0.46 0.4935 0.9568 2060551 Enamine_000091 COC(=O)/N=C(\Nc1c(C)cc(C)cc1C)/C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E04 compound treatment 0.397 0.00361 0.13 0.402 0.00803 0.52 0.4613 0.86 2060552 Enamine_000092 COc1ccc(cc1)/C(=N/C#N)/N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E05 compound treatment 0.404 0.0106 0.39 0.396 0.00203 0.13 0.3685 0.896 2060553 Enamine_000093 CS(=O)(=O)C1(CCCCC1)S(=O)(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E06 compound treatment 0.398 0.00461 0.17 0.4 0.00603 0.39 0.3958 0.9302 1588783 Enamine_000094 Cc1ccc(NC(=O)c2cccnc2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E07 compound treatment 0.397 0.00361 0.13 0.406 0.012 0.78 0.6443 0.8158 2060554 Enamine_000095 OCC[n+]1c(Nc2ccccc2)scc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E08 compound treatment 0.431 0.0376 1.38 0.437 0.043 2.78 2.9457 0.9477 2060555 Enamine_000096 Ic1cccc(c1)c2nnc(o2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E09 compound treatment 0.436 0.0426 1.56 0.442 0.048 3.11 3.3043 0.9496 1570270 Enamine_000097 Cc1csc(n1)c2cc3c(ccc4ccccc43)oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E10 compound treatment 0.402 0.00861 0.32 0.406 0.012 0.78 0.7742 0.9212 1682255 Enamine_000098 COc1ccc(cc1)C2C=C(C)Nc3nc4ccccc4n23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E11 compound treatment 0.398 0.00461 0.17 0.387 -0.00697 -0.45 -0.1991 -0.4133 1705726 Enamine_000099 Brc1cccc(c1)C(=O)Oc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E12 compound treatment 0.408 0.0146 0.54 0.408 0.014 0.91 1.0215 0.9685 1706002 Enamine_000100 N=c1sc2ccccc2n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E13 compound treatment 0.394 6.13E-4 0.02 0.409 0.015 0.97 0.7037 0.7233 2060556 Enamine_000101 FC(F)(F)C(=O)NCc1cn2ccsc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E14 compound treatment 0.41 0.0166 0.61 0.408 0.014 0.91 1.0734 0.9813 1253405 Enamine_000102 Clc1ccc2[nH]c(=NC(=O)c3ccc(cc3)C(=O)c4ccccc4)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E15 compound treatment 0.404 0.0106 0.39 0.414 0.02 1.3 1.1922 0.8808 1728382 Enamine_000103 COc1ccc2N=C(CC(=O)Nc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E16 compound treatment 0.403 0.00961 0.35 0.399 0.00503 0.33 0.4798 0.9992 2060557 Enamine_000104 COc1ccc(cc1)N2C3=[N+](CC2(C)O)CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E17 compound treatment 0.41 0.0166 0.61 0.404 0.01 0.65 0.8904 0.9995 1418018 Enamine_000105 CN1CCN(CC1)C(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E18 compound treatment 0.4 0.00661 0.24 0.396 0.00203 0.13 0.2647 0.9585 1046649 Enamine_000106 O=C(CSc1nc2ccccc2[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E19 compound treatment 0.395 0.00161 0.06 0.39 -0.00397 -0.26 -0.1397 -0.5301 2060558 Enamine_000107 Fc1ccc(cc1)c2csc(NC3=NCCC3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E20 compound treatment 0.417 0.0236 0.87 0.413 0.019 1.23 1.484 0.9853 1376353 Enamine_000108 Cc1ccc(Sc2c(O)c3ccccc3oc2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E21 compound treatment 0.404 0.0106 0.39 0.396 0.00203 0.13 0.3685 0.896 1420490 Enamine_000109 COC(=O)C(Cc1ccccc1)NC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E22 compound treatment 0.41 0.0166 0.61 0.414 0.02 1.3 1.348 0.9409 2060559 Enamine_000110 Cc1ccccc1OC2OCCOC2Oc3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E23 mock treatment 0.395 0.00161 0.06 0.391 -0.00297 -0.19 -0.094 -0.4674 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 E24 mock treatment 0.392 -0.00139 -0.05 0.396 0.00203 0.13 0.0569 0.4038 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F01 compound treatment 0.465 0.0716 2.63 0.478 0.084 5.44 5.7046 0.9444 2060560 Enamine_000111 CN1/C(=C\C(=O)c2ccccc2)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F02 compound treatment 0.403 0.00961 0.35 0.406 0.012 0.78 0.8001 0.936 1331982 Enamine_000112 Cc1nc2cc(CC(=O)O)ccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F03 compound treatment 0.41 0.0166 0.61 0.409 0.015 0.97 1.1192 0.9747 2060561 Enamine_000113 CC1(C)CC(=C/C(=N\c2ccc(cc2)C(=O)O)/C1)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F04 compound treatment 0.407 0.0136 0.5 0.402 0.00803 0.52 0.721 0.9998 1497093 Enamine_000114 Cc1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F05 compound treatment 0.39 -0.00339 -0.12 0.405 0.011 0.71 0.4168 0.5752 1004829 Enamine_000115 c1ccc(nc1)c2cccc(n2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F06 compound treatment 0.406 0.0126 0.46 0.407 0.013 0.84 0.9238 0.9602 1206549 Enamine_000116 Clc1ccccc1C(=O)N(Cc2ccccc2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F07 compound treatment 0.405 0.0116 0.43 0.412 0.018 1.17 1.1266 0.9069 2060562 Enamine_000117 CCN(CC)C(=S)SC(=O)c1ccccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F08 compound treatment 0.42 0.0266 0.98 0.43 0.036 2.33 2.3398 0.9255 1120930 Enamine_000118 CC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F09 compound treatment 0.411 0.0176 0.65 0.403 0.00903 0.58 0.8706 0.9987 1331021 Enamine_000119 CC(C)(Nc1ccccc1N)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F10 compound treatment 0.394 6.13E-4 0.02 0.399 0.00503 0.33 0.2461 0.7542 1290996 Enamine_000120 COc1ccc(O)c(c1)C2SCC(=O)N2Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F11 compound treatment 0.408 0.0146 0.54 0.403 0.00903 0.58 0.7927 0.9991 1626823 Enamine_000121 CC1CCCC(C)N1CC(O)COc2c(F)cc(Br)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F12 compound treatment 0.425 0.0316 1.16 0.428 0.034 2.2 2.3781 0.9553 1220483 Enamine_000122 CC(C)CCOc1cccc(OCC(=O)Nc2ccncc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F13 compound treatment 0.418 0.0246 0.9 0.425 0.031 2.01 2.059 0.935 1202409 Enamine_000123 CC(C)(C)C1(NC(=O)C2=C(CC(C)(C)CC2=O)O1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F14 compound treatment 0.387 -0.00639 -0.23 0.382 -0.012 -0.77 -0.7135 -0.8817 2060563 Enamine_000124 CCn1c2ccccc2c3cc(/C=N/n4cnnc4)ccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F15 compound treatment 0.406 0.0126 0.46 0.405 0.011 0.71 0.8323 0.9781 1394599 Enamine_000125 Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)Nc3ncccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F16 compound treatment 0.413 0.0196 0.72 0.409 0.015 0.97 1.1971 0.9891 2060564 Enamine_000126 FC(F)(F)c1cnc(N2Cc3ccccc3C2=N)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F17 compound treatment 0.422 0.0286 1.05 0.418 0.024 1.56 1.8426 0.9818 2060565 Enamine_000127 CN1C(=C)Sc2ccc(C=C)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F18 compound treatment 0.464 0.0706 2.59 0.462 0.068 4.4 4.9465 0.9681 2060566 Enamine_000128 NC1=C(C#N)C(c2ccccc2)c3c(O1)ccc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F19 compound treatment 0.407 0.0136 0.5 0.415 0.021 1.36 1.3158 0.9075 2060567 Enamine_000129 CCOc1ccc(cc1)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F20 compound treatment 0.405 0.0116 0.43 0.407 0.013 0.84 0.8978 0.9501 1157724 Enamine_000130 Nc1nc(C(=O)Nc2ccccc2)c(s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F21 compound treatment 0.373 -0.0204 -0.75 0.373 -0.021 -1.36 -1.4889 -0.9607 1021370 Enamine_000131 Oc1ccccc1NC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F22 compound treatment 0.424 0.0306 1.12 0.431 0.037 2.4 2.4894 0.9405 1702991 Enamine_000132 OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F23 mock treatment 0.398 0.00461 0.17 0.405 0.011 0.71 0.6245 0.8513 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 F24 mock treatment 0.4 0.00661 0.24 0.4 0.00603 0.39 0.4477 0.9739 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G01 compound treatment 0.388 -0.00539 -0.2 0.394 3.13E-5 0.0 -0.1385 -0.6998 1720564 Enamine_000133 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G02 compound treatment 0.408 0.0146 0.54 0.398 0.00403 0.26 0.5639 0.9451 2060568 Enamine_000134 Cc1ccc(cc1)S(=O)(=O)NC2=NCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G03 compound treatment 0.406 0.0126 0.46 0.403 0.00903 0.58 0.7408 0.9934 2060569 Enamine_000135 Clc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)Nc3ccc(I)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G04 compound treatment 0.398 0.00461 0.17 0.402 0.00803 0.52 0.4873 0.8914 2060570 Enamine_000136 Cn1ccnc1C(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G05 compound treatment 0.398 0.00461 0.17 0.399 0.00503 0.33 0.35 0.9537 1689950 Enamine_000137 OC1(COc2ccccc2O1)c3ccc(cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G06 compound treatment 0.405 0.0116 0.43 0.402 0.00803 0.52 0.669 0.9952 1008557 Enamine_000138 COc1ccc(cc1)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G07 compound treatment 0.397 0.00361 0.13 0.401 0.00703 0.46 0.4156 0.8768 1646935 Enamine_000139 O=C1CCCCCC1CN2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G08 compound treatment 0.446 0.0526 1.93 0.456 0.062 4.01 4.2046 0.9438 1101856 Enamine_000140 CCOc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G09 compound treatment 0.589 0.196 7.18 0.587 0.193 12.49 13.9121 0.9655 2060571 Enamine_000141 O=C/1N=C(O\C1=C/C=C/c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G10 compound treatment 0.413 0.0196 0.72 0.414 0.02 1.3 1.4259 0.9615 1543444 Enamine_000142 Cc1ccccc1C(=O)Nc2sc3CCCc3c2C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G11 compound treatment 0.395 0.00161 0.06 0.397 0.00303 0.2 0.1806 0.8813 1591090 Enamine_000143 CC(=O)Oc1ccc(cc1)N2C(=O)CCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G12 compound treatment 0.408 0.0146 0.54 0.409 0.015 0.97 1.0672 0.9607 1723857 Enamine_000144 O=C1CCCN1c2sc3CCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G13 compound treatment 0.401 0.00761 0.28 0.414 0.02 1.3 1.1143 0.8403 2060572 Enamine_000145 O=c1[nH]c(nc2sc3CCCCc3c12)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G14 compound treatment 0.395 0.00161 0.06 0.405 0.011 0.71 0.5467 0.7632 2060573 Enamine_000146 Clc1ccc(cc1)S(=O)(=O)C2(CC2)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G15 compound treatment 0.388 -0.00539 -0.2 0.389 -0.00497 -0.32 -0.3672 -0.9728 1237705 Enamine_000147 Oc1ccc(cc1)c2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G16 compound treatment 0.404 0.0106 0.39 0.398 0.00403 0.26 0.46 0.9809 1375180 Enamine_000148 O=C(Cc1cccs1)Nc2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G17 compound treatment 0.41 0.0166 0.61 0.406 0.012 0.78 0.9819 0.9927 2060574 Enamine_000149 Clc1ccc(SC2C(=O)CCCC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G18 compound treatment 0.402 0.00861 0.32 0.403 0.00903 0.58 0.6369 0.9584 2060575 Enamine_000150 [O-][n+]1ccccc1SCC(=O)NCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G19 compound treatment 0.395 0.00161 0.06 0.399 0.00503 0.33 0.2721 0.8222 2060576 Enamine_000151 CC(=O)Nc1cc2CCCCc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G20 compound treatment 0.443 0.0496 1.82 0.441 0.047 3.04 3.4403 0.9699 1633910 Enamine_000152 Oc1c(Sc2ccc(Cl)cc2)c(=O)oc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G21 compound treatment 0.375 -0.0184 -0.68 0.381 -0.013 -0.84 -1.0709 -0.9942 2060577 Enamine_000153 Oc1ccc(/C=N/c2ccccc2c3nc4ccccc4[nH]3)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G22 compound treatment 0.395 0.00161 0.06 0.392 -0.00197 -0.13 -0.0482 -0.3431 1234606 Enamine_000154 COc1ccc(cc1)C(=O)Nc2ccc3ncsc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G23 mock treatment 0.396 0.00261 0.1 0.389 -0.00497 -0.32 -0.1595 -0.4754 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 G24 mock treatment 0.393 -3.87E-4 -0.01 0.396 0.00203 0.13 0.0829 0.627 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H01 compound treatment 0.493 0.0996 3.66 0.494 0.1 6.47 7.1638 0.9635 1159232 Enamine_000155 CNc1ccccc1C(C)(C)c2cc(no2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H02 compound treatment 0.412 0.0186 0.68 0.408 0.014 0.91 1.1254 0.9902 2060578 Enamine_000156 SC(=S)NC1CCS(=O)(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H03 compound treatment 0.394 6.13E-4 0.02 0.397 0.00303 0.2 0.1546 0.7831 1428645 Enamine_000157 COc1cc2CCCC(N)Cc2c(OC)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H04 compound treatment 0.395 0.00161 0.06 0.396 0.00203 0.13 0.1348 0.9352 2060579 Enamine_000158 CC(NC1=NCCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H05 compound treatment 0.41 0.0166 0.61 0.405 0.011 0.71 0.9361 0.9969 1671244 Enamine_000159 CC(=O)Oc1ccc2c3CCCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H06 compound treatment 0.397 0.00361 0.13 0.399 0.00503 0.33 0.324 0.9217 2060580 Enamine_000160 FC(F)(F)SCC(=O)Nc1ccccn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H07 compound treatment 0.406 0.0126 0.46 0.407 0.013 0.84 0.9238 0.9602 2060581 Enamine_000161 COc1ccc(/N=C/c2ccc3OCCOc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H08 compound treatment 0.392 -0.00139 -0.05 0.395 0.00103 0.07 0.0112 0.1331 1492973 Enamine_000162 Oc1ccccc1OCC(=O)NCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H09 compound treatment 0.398 0.00461 0.17 0.397 0.00303 0.2 0.2585 0.9973 1537571 Enamine_000163 COc1ccc(cc1)c2nc3ccccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H10 compound treatment 0.452 0.0586 2.15 0.446 0.052 3.37 3.9028 0.9766 1353008 Enamine_000164 CCOc1ccc2[nH]c(=NC(=O)c3ccccc3Cl)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H11 compound treatment 0.402 0.00861 0.32 0.399 0.00503 0.33 0.4539 0.9999 2060582 Enamine_000165 FC(F)(Cl)c1ccc(=O)[nH]c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H12 compound treatment 0.405 0.0116 0.43 0.404 0.01 0.65 0.7606 0.9792 1262075 Enamine_000166 Cc1cc(C)c(C(=O)NCc2ccco2)c(C)c1C(=O)NCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H13 compound treatment 0.399 0.00561 0.21 0.408 0.014 0.91 0.7878 0.8461 2060583 Enamine_000167 Clc1ccccc1C(=O)Sc2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H14 compound treatment 0.471 0.0776 2.85 0.456 0.062 4.01 4.8538 0.9859 1702375 Enamine_000168 O=C(COc1cccc2ccccc12)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H15 compound treatment 0.404 0.0106 0.39 0.397 0.00303 0.2 0.4143 0.9495 1437238 Enamine_000169 O=C(COc1ccccc1)NCc2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H16 compound treatment 0.4 0.00661 0.24 0.401 0.00703 0.46 0.4935 0.9568 2060584 Enamine_000170 CCCSC1=C(C#N)C(CC(=O)N1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H17 compound treatment 0.41 0.0166 0.61 0.412 0.018 1.17 1.2565 0.9543 1142796 Enamine_000171 CCN1CCN(CC1)c2cc(c3ccccc3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H18 compound treatment 0.4 0.00661 0.24 0.396 0.00203 0.13 0.2647 0.9585 2060585 Enamine_000172 Cc1ccccc1NS(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H19 compound treatment 0.408 0.0146 0.54 0.411 0.017 1.1 1.1588 0.9453 1216182 Enamine_000173 O=C(N1CCCCC1)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H20 compound treatment 0.429 0.0356 1.31 0.428 0.034 2.2 2.4819 0.969 2060586 Enamine_000174 CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H21 compound treatment 0.399 0.00561 0.21 0.399 0.00503 0.33 0.376 0.9757 1574485 Enamine_000175 Clc1ccccc1C(=O)NC2CCS(=O)(=O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H22 compound treatment 0.396 0.00261 0.1 0.396 0.00203 0.13 0.1608 0.988 2060587 Enamine_000176 Nc1ccc(/N=C/c2ccc3OCCOc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H23 mock treatment 0.401 0.00761 0.28 0.395 0.00103 0.07 0.2449 0.852 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 H24 mock treatment 0.389 -0.00439 -0.16 0.403 0.00903 0.58 0.2993 0.4938 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I01 compound treatment 0.403 0.00961 0.35 0.404 0.01 0.65 0.7086 0.959 2060588 Enamine_000177 COc1ccc(cc1)c2cn3CCCc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I02 compound treatment 0.406 0.0126 0.46 0.403 0.00903 0.58 0.7408 0.9934 2060589 Enamine_000178 N#C/C(=C\1/CCCCCN1)/c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I03 compound treatment 0.406 0.0126 0.46 0.407 0.013 0.84 0.9238 0.9602 1653816 Enamine_000179 CC1(Cc2nc3ccccc3[nH]2)OCCO1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I04 compound treatment 0.396 0.00261 0.1 0.4 0.00603 0.39 0.3438 0.8555 1336938 Enamine_000180 Ic1ccccc1NC(=O)C2(CCCC2)S(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I05 compound treatment 0.406 0.0126 0.46 0.403 0.00903 0.58 0.7408 0.9934 1443715 Enamine_000181 CC1=C(Oc2ccccc2O1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I06 compound treatment 0.409 0.0156 0.57 0.41 0.016 1.04 1.139 0.9609 1294772 Enamine_000182 O=C(NS(=O)(=O)NC(=O)c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I07 compound treatment 0.408 0.0146 0.54 0.402 0.00803 0.52 0.7469 0.9999 2060590 Enamine_000183 C(c1ccccc1)n2cn[n+](Cc3ccccc3)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I08 compound treatment 0.409 0.0156 0.57 0.412 0.018 1.17 1.2305 0.9465 2060591 Enamine_000184 CN(C)c1cccc(c1)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I09 compound treatment 0.534 0.141 5.16 0.548 0.154 9.97 10.6994 0.9531 1099026 Enamine_000185 CCN(CC)c1ccc2cc(c3nc4ccccc4[nH]3)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I10 compound treatment 0.427 0.0336 1.23 0.419 0.025 1.62 2.0182 0.991 1702433 Enamine_000186 COc1ccc2nc(NC(=O)c3ccccc3C)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I11 compound treatment 0.405 0.0116 0.43 0.408 0.014 0.91 0.9436 0.9406 1220570 Enamine_000187 OCc1csc(=Nc2ccccc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I12 compound treatment 0.414 0.0206 0.76 0.416 0.022 1.43 1.5434 0.9561 1399299 Enamine_000188 CC1Cc2ccccc2N1C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I13 compound treatment 0.411 0.0176 0.65 0.407 0.013 0.84 1.0536 0.9914 1377821 Enamine_000189 CCOc1ccc2nc(NC(=O)C(C)C)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I14 compound treatment 0.403 0.00961 0.35 0.407 0.013 0.84 0.8459 0.9253 2060592 Enamine_000190 OCCOc1ccccc1OCCBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I15 compound treatment 0.402 0.00861 0.32 0.4 0.00603 0.39 0.4996 0.9946 2060593 Enamine_000191 CC1(C)Cc2snc(C(=O)N)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I16 compound treatment 0.405 0.0116 0.43 0.398 0.00403 0.26 0.486 0.9722 2060594 Enamine_000192 CSc1nc(nc2CCCCc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I17 compound treatment 0.402 0.00861 0.32 0.416 0.022 1.43 1.2318 0.8435 1740367 Enamine_000193 Cc1cc(C)c(OCC(O)CNC2CC(C)(C)NC(C)(C)C2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I18 compound treatment 0.406 0.0126 0.46 0.41 0.016 1.04 1.0611 0.934 1139403 Enamine_000194 CCN1CCN(CC1)c2cc(C)c3ccc(OC)cc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I19 compound treatment 0.41 0.0166 0.61 0.404 0.01 0.65 0.8904 0.9995 1915045 Enamine_000195 CC(=O)Nc1sc2CCCCc2c1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I20 compound treatment 0.42 0.0266 0.98 0.419 0.025 1.62 1.8364 0.9707 2060595 Enamine_000196 N/1/C(=N\c2ccccc2)/c3ccccc3\C1=N\c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I21 compound treatment 0.467 0.0736 2.7 0.481 0.087 5.63 5.8938 0.9435 1298770 Enamine_000197 Cc1ccc(NC(=O)COc2ccccc2O)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I22 compound treatment 0.416 0.0226 0.83 0.417 0.023 1.49 1.641 0.9619 1372987 Enamine_000198 Clc1ccc2N(CCC#N)C(=O)c3cccc1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I23 mock treatment 0.397 0.00361 0.13 0.403 0.00903 0.58 0.5071 0.8461 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 I24 mock treatment 0.397 0.00361 0.13 0.408 0.014 0.91 0.7359 0.8019 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J01 compound treatment 0.391 -0.00239 -0.09 0.399 0.00503 0.33 0.1682 0.499 2060596 Enamine_000199 CC(=O)N1CCN(CC1)C(=O)COc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J02 compound treatment 0.397 0.00361 0.13 0.389 -0.00497 -0.32 -0.1335 -0.3839 1291969 Enamine_000200 CC(=O)Oc1ccc2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J03 compound treatment 0.396 0.00261 0.1 0.396 0.00203 0.13 0.1608 0.988 1194922 Enamine_000201 Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J04 compound treatment 0.394 6.13E-4 0.02 0.394 3.13E-5 0.0 0.0173 0.7675 2060597 Enamine_000202 CC(NC1=NCCCCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J05 compound treatment 0.394 6.13E-4 0.02 0.397 0.00303 0.2 0.1546 0.7831 1527481 Enamine_000203 CC1(C)CC(=C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J06 compound treatment 0.404 0.0106 0.39 0.393 -9.69E-4 -0.06 0.2313 0.5858 1302644 Enamine_000204 CC1CN(CC(C)O1)C(=O)c2ccc(cc2)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J07 compound treatment 0.395 0.00161 0.06 0.4 0.00603 0.39 0.3179 0.8052 1201090 Enamine_000205 CCn1cnc(C(=O)NC)c1C(=O)NC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J08 compound treatment 0.399 0.00561 0.21 0.395 0.00103 0.07 0.1929 0.8905 2060598 Enamine_000206 OC(=O)/C=C/C(=O)N1CCN(CC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J09 compound treatment 0.393 -3.87E-4 -0.01 0.393 -9.69E-4 -0.06 -0.0544 -0.846 2060599 Enamine_000207 O1C=C(Oc2ccccc12)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J10 compound treatment 0.393 -3.87E-4 -0.01 0.394 3.13E-5 0.0 -0.0086 -0.6005 2060600 Enamine_000208 COC(=O)/N=C(/Nc1ccc(OC)cc1)\C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J11 compound treatment 0.396 0.00261 0.1 0.392 -0.00197 -0.13 -0.0222 -0.1394 1129484 Enamine_000209 Brc1ccc2nc(cn2c1)C(C#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J12 compound treatment 0.398 0.00461 0.17 0.392 -0.00197 -0.13 0.0297 0.1401 1584962 Enamine_000210 CC(C)C(=O)N(C1CC(C)Nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J13 compound treatment 0.4 0.00661 0.24 0.393 -9.69E-4 -0.06 0.1274 0.5079 1285385 Enamine_000211 CC(=O)NC(CSCc1ccccc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J14 compound treatment 0.393 -3.87E-4 -0.01 0.387 -0.00697 -0.45 -0.3289 -0.729 2060601 Enamine_000212 CC1(C)OC(=O)C1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J15 compound treatment 0.403 0.00961 0.35 0.407 0.013 0.84 0.8459 0.9253 2060602 Enamine_000213 Cc1nc2cc(CCl)ccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J16 compound treatment 0.39 -0.00339 -0.12 0.39 -0.00397 -0.26 -0.2696 -0.9446 2060603 Enamine_000214 CS(=O)(=O)n1cc(ccc1=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J17 compound treatment 0.434 0.0406 1.49 0.451 0.057 3.69 3.6642 0.9205 2060604 Enamine_000215 FC(F)(F)Sc1ccc(NC(=O)c2ccccn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J18 compound treatment 0.394 6.13E-4 0.02 0.395 0.00103 0.07 0.0631 0.896 2060605 Enamine_000216 Cc1cc(N)n(CCC#N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J19 compound treatment 0.404 0.0106 0.39 0.404 0.01 0.65 0.7346 0.9702 1575843 Enamine_000217 Clc1cc(Cl)cc(c1)C(=O)NCc2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J20 compound treatment 0.39 -0.00339 -0.12 0.393 -9.69E-4 -0.06 -0.1323 -0.9497 2060606 Enamine_000218 FC(F)(F)c1cccc(NC(=O)c2ccccn2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J21 compound treatment 0.403 0.00961 0.35 0.4 0.00603 0.39 0.5256 0.9987 1190671 Enamine_000219 CNc1ccccc1C(C)(C)c2ccn[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J22 compound treatment 0.39 -0.00339 -0.12 0.394 3.13E-5 0.0 -0.0865 -0.6955 2060607 Enamine_000220 ClCC1Cc2cc(I)c(Cl)cc2O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J23 mock treatment 0.394 6.13E-4 0.02 0.393 -9.69E-4 -0.06 -0.0284 -0.4266 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 J24 mock treatment 0.396 0.00261 0.1 0.396 0.00203 0.13 0.1608 0.988 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K01 compound treatment 0.393 -3.87E-4 -0.01 0.389 -0.00497 -0.32 -0.2374 -0.7376 2060608 Enamine_000221 CCn1c(C)nc2cc(OC)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K02 compound treatment 0.42 0.0266 0.98 0.422 0.028 1.81 1.9737 0.9579 2060609 Enamine_000222 Brc1ccc(cc1)n2cnc(c2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K03 compound treatment 0.427 0.0336 1.23 0.436 0.042 2.72 2.7961 0.9361 1159773 Enamine_000223 COc1ccc2c(cc(O)nc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K04 compound treatment 0.404 0.0106 0.39 0.406 0.012 0.78 0.8261 0.9488 1691179 Enamine_000224 Oc1nnc(Cc2ccncc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K05 compound treatment 0.42 0.0266 0.98 0.423 0.029 1.88 2.0195 0.9536 2060610 Enamine_000225 O=C(OCC1COc2ccccc2O1)/C=C/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K06 compound treatment 0.406 0.0126 0.46 0.403 0.00903 0.58 0.7408 0.9934 1398562 Enamine_000226 O=C(CNc1ccccc1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K07 compound treatment 1.14 0.747 27.42 1.128 0.734 47.5 52.9747 0.9659 2060611 Enamine_000227 CN(C)c1ccc(/C=C/C=N/n2cnnc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K08 compound treatment 0.41 0.0166 0.61 0.407 0.013 0.84 1.0277 0.9874 1267740 Enamine_000228 CCOC(=O)N=S(=O)(N)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K09 compound treatment 0.402 0.00861 0.32 0.396 0.00203 0.13 0.3166 0.9243 2060612 Enamine_000229 Cc1ccc(/N=C\c2ccc3ccccc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K10 compound treatment 0.406 0.0126 0.46 0.399 0.00503 0.33 0.5577 0.9851 1265992 Enamine_000230 COc1ccc(cc1OC)c2cn3Cc4ccccc4-c3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K11 compound treatment 0.399 0.00561 0.21 0.401 0.00703 0.46 0.4675 0.9359 2060613 Enamine_000231 CCN(CC)CCOc1ccc(cc1)/C(=N\O)/C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K12 compound treatment 0.454 0.0606 2.23 0.442 0.048 3.11 3.7717 0.9866 1478202 Enamine_000232 CSc1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K13 compound treatment 0.401 0.00761 0.28 0.386 -0.00797 -0.52 -0.167 -0.2846 2060614 Enamine_000233 CC1(C)CC(=C/C(=N/c2ccc(F)cc2)/C1)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K14 compound treatment 0.406 0.0126 0.46 0.412 0.018 1.17 1.1526 0.9181 2060615 Enamine_000234 CC1(CCCC1)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K15 compound treatment 0.405 0.0116 0.43 0.414 0.02 1.3 1.2181 0.8927 2060616 Enamine_000235 O=C(Sc1nc2ccccc2o1)/C=C/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K16 compound treatment 0.408 0.0146 0.54 0.405 0.011 0.71 0.8842 0.9901 2060617 Enamine_000236 Cc1nc2ccccc2nc1SCC(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K17 compound treatment 0.426 0.0326 1.2 0.432 0.038 2.46 2.5871 0.9452 1675382 Enamine_000237 Cc1ccc(cc1)C(=O)COc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K18 compound treatment 0.4 0.00661 0.24 0.404 0.01 0.65 0.6307 0.91 1913506 Enamine_000238 CCc1n[n+](CC(=O)c2ccccc2)c(N)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K19 compound treatment 0.37 -0.0234 -0.86 0.37 -0.024 -1.55 -1.704 -0.9611 2060618 Enamine_000239 Fc1cccc(c1)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K20 compound treatment 0.401 0.00761 0.28 0.391 -0.00297 -0.19 0.0618 0.1823 2060619 Enamine_000240 CC1(C)CC(=O)C(=Cc2ccc3OCCOc3c2)C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K21 compound treatment 0.387 -0.00639 -0.23 0.391 -0.00297 -0.19 -0.3017 -0.9951 1738171 Enamine_000241 CN1CCN(CC1)C(=O)COc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K22 compound treatment 0.413 0.0196 0.72 0.409 0.015 0.97 1.1971 0.9891 2060620 Enamine_000242 COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K23 mock treatment 0.39 -0.00339 -0.12 0.392 -0.00197 -0.13 -0.178 -0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 K24 mock treatment 0.397 0.00361 0.13 0.393 -9.69E-4 -0.06 0.0495 0.3372 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L01 compound treatment 0.414 0.0206 0.76 0.405 0.011 0.71 1.04 0.9996 1445657 Enamine_000243 NC(=O)CS(=O)(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L02 compound treatment 0.402 0.00861 0.32 0.406 0.012 0.78 0.7742 0.9212 1599948 Enamine_000244 Cc1cccc(OCC(=O)NCc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L03 compound treatment 0.404 0.0106 0.39 0.406 0.012 0.78 0.8261 0.9488 1523758 Enamine_000245 OC1(COc2ccccc2O1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L04 compound treatment 0.405 0.0116 0.43 0.404 0.01 0.65 0.7606 0.9792 2060621 Enamine_000246 OC(=O)/C=C/C(=O)N1CCC(Cc2ccccc2)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L05 compound treatment 0.409 0.0156 0.57 0.405 0.011 0.71 0.9102 0.9941 1447952 Enamine_000247 CC(C)c1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L06 compound treatment 0.397 0.00361 0.13 0.4 0.00603 0.39 0.3698 0.8971 2060622 Enamine_000248 O=C(c1ccc2ccccc2n1)n3nc4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L07 compound treatment 0.4 0.00661 0.24 0.404 0.01 0.65 0.6307 0.91 1546288 Enamine_000249 Fc1ccc(cc1)C(=O)Nc2ncnc3sc4CCCCc4c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L08 compound treatment 0.395 0.00161 0.06 0.398 0.00403 0.26 0.2263 0.8461 2060623 Enamine_000250 CC(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L09 compound treatment 0.407 0.0136 0.5 0.415 0.021 1.36 1.3158 0.9075 1520257 Enamine_000251 CC(CC(=O)O)C(=O)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L10 compound treatment 0.397 0.00361 0.13 0.396 0.00203 0.13 0.1868 1.0 1564833 Enamine_000252 O=C(NC1CCS(=O)(=O)C1)c2ccc(cc2)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L11 compound treatment 0.396 0.00261 0.1 0.403 0.00903 0.58 0.4811 0.8123 2060624 Enamine_000253 Fc1ccc(cc1)c2nn(cc2/C=C/C(=O)N3CCOCC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L12 compound treatment 0.4 0.00661 0.24 0.397 0.00303 0.2 0.3104 0.9944 1439805 Enamine_000254 CCc1nc2n(ncc2c3nncn13)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L13 compound treatment 0.409 0.0156 0.57 0.408 0.014 0.91 1.0475 0.9754 1330114 Enamine_000255 CN(C(=O)c1ccc(cc1)S(=O)(=O)N2CCCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L14 compound treatment 0.401 0.00761 0.28 0.399 0.00503 0.33 0.4279 0.9971 2060625 Enamine_000256 CC1C=Cc2ccccc2N1C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L15 compound treatment 0.48 0.0866 3.18 0.482 0.088 5.7 6.2772 0.9621 2060626 Enamine_000257 COc1ccc(/C=C/C(=O)Sc2cccc3cccnc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L16 compound treatment 0.421 0.0276 1.01 0.408 0.014 0.91 1.3591 0.9985 1623925 Enamine_000258 O=C(Nc1ccncc1)c2ccc(cc2)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L17 compound treatment 0.425 0.0316 1.16 0.412 0.018 1.17 1.646 1.0 1175508 Enamine_000259 Cc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L18 compound treatment 0.395 0.00161 0.06 0.401 0.00703 0.46 0.3636 0.7925 2060627 Enamine_000260 COC(=O)C1(CC=CC1)C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L19 compound treatment 0.407 0.0136 0.5 0.424 0.03 1.94 1.7277 0.861 2060628 Enamine_000261 Cc1ccc(/N=C/c2ccc3OCCOc3c2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L20 compound treatment 0.39 -0.00339 -0.12 0.388 -0.00597 -0.39 -0.3611 -0.8898 2060629 Enamine_000262 Cc1c(cc2ccccn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L21 compound treatment 0.4 0.00661 0.24 0.397 0.00303 0.2 0.3104 0.9944 2060630 Enamine_000263 NC(=O)CC1(OCCO1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L22 compound treatment 0.4 0.00661 0.24 0.405 0.011 0.71 0.6765 0.8972 1607228 Enamine_000264 C=CCNc1nn(c2nc3ccccc3s2)c4CCCCc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L23 mock treatment 0.409 0.0156 0.57 0.399 0.00503 0.33 0.6356 0.9641 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 L24 mock treatment 0.395 0.00161 0.06 0.394 3.13E-5 0.0 0.0433 0.7308 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M01 compound treatment 0.403 0.00961 0.35 0.397 0.00303 0.2 0.3883 0.9615 2060631 Enamine_000265 Cc1n(C)c2ccccc2[n+]1c3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M02 compound treatment 0.404 0.0106 0.39 0.407 0.013 0.84 0.8719 0.9385 2060632 Enamine_000266 Cc1ccc(cc1)S(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M03 compound treatment 0.397 0.00361 0.13 0.395 0.00103 0.07 0.141 0.9494 1427443 Enamine_000267 CC(C)N(C(=O)C1(CC2CC3CC(C2)C1)C3)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M04 compound treatment 0.408 0.0146 0.54 0.409 0.015 0.97 1.0672 0.9607 1048264 Enamine_000268 CSc1sc2ccccc2[n+]1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M05 compound treatment 0.415 0.0216 0.79 0.411 0.017 1.1 1.3405 0.987 1153647 Enamine_000269 Cc1ncc(s1)c2cc3c(ccc4ccccc43)oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M06 compound treatment 0.407 0.0136 0.5 0.403 0.00903 0.58 0.7667 0.997 1382151 Enamine_000270 Cc1ccc(cc1)S(=O)(=O)N2CCCCC2C(=O)N3CCCC4CCCCC43 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M07 compound treatment 0.398 0.00461 0.17 0.401 0.00703 0.46 0.4415 0.9094 2060633 Enamine_000271 Cc1csc(NC2=NCCCCC2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M08 compound treatment 0.402 0.00861 0.32 0.408 0.014 0.91 0.8657 0.9004 1953832 Enamine_000272 NC(=N)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M09 compound treatment 0.471 0.0776 2.85 0.468 0.074 4.79 5.4029 0.9692 2060634 Enamine_000273 CN(C)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M10 compound treatment 0.398 0.00461 0.17 0.396 0.00203 0.13 0.2127 0.9921 2060635 Enamine_000274 C1CCn2c(cnc2C1)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M11 compound treatment 0.413 0.0196 0.72 0.419 0.025 1.62 1.6547 0.9334 2060636 Enamine_000275 COc1ccc2/C(=C/Nc3ccccc3)/C(=O)N(C)C(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M12 compound treatment 0.4 0.00661 0.24 0.402 0.00803 0.52 0.5392 0.94 1983631 Enamine_000276 CN(C)S(=O)(=O)Nc1cccc(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M13 compound treatment 0.41 0.0166 0.61 0.399 0.00503 0.33 0.6616 0.9568 2060637 Enamine_000277 Cc1ccc(cc1)c2csc(Nc3ccccc3)[n+]2NC(=O)c4ccncc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M14 compound treatment 0.405 0.0116 0.43 0.401 0.00703 0.46 0.6233 0.9995 2060638 Enamine_000278 Cc1ccc(cc1)S(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M15 compound treatment 0.394 6.13E-4 0.02 0.402 0.00803 0.52 0.3834 0.737 2060639 Enamine_000279 CC[n+]1c(C)sc2ccc(CC(=O)O)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M16 compound treatment 0.402 0.00861 0.32 0.403 0.00903 0.58 0.6369 0.9584 2060640 Enamine_000280 O/N=C(\Cc1nc2ccccc2s1)/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M17 compound treatment 0.403 0.00961 0.35 0.399 0.00503 0.33 0.4798 0.9992 1469630 Enamine_000281 CC(=O)NC(C1CCCCC1=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M18 compound treatment 0.496 0.103 3.77 0.483 0.089 5.76 6.7384 0.9788 2060641 Enamine_000282 COc1ccc2cc(c3nc4ccccc4[nH]3)c(N)[o+]c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M19 compound treatment 0.388 -0.00539 -0.2 0.391 -0.00297 -0.19 -0.2757 -0.9999 1282910 Enamine_000283 Cc1cccc(NC(=O)CC(=O)c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M20 compound treatment 0.398 0.00461 0.17 0.4 0.00603 0.39 0.3958 0.9302 1142044 Enamine_000284 OCCN1C(SCC1=O)c2cn(nc2c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M21 compound treatment 0.402 0.00861 0.32 0.398 0.00403 0.26 0.4081 0.9954 1253879 Enamine_000285 COc1ccc2CC(=O)N(Cc3ccccc3)C(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M22 compound treatment 0.395 0.00161 0.06 0.401 0.00703 0.46 0.3636 0.7925 1164194 Enamine_000286 COc1ccc(NC(=O)c2ccc(F)c(F)c2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M23 mock treatment 0.391 -0.00239 -0.09 0.393 -9.69E-4 -0.06 -0.1063 -0.9865 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 M24 mock treatment 0.39 -0.00339 -0.12 0.393 -9.69E-4 -0.06 -0.1323 -0.9497 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N01 compound treatment 0.408 0.0146 0.54 0.392 -0.00197 -0.13 0.2894 0.5246 1321141 Enamine_000287 CC1N(C)c2ccc(NC(=O)C)cc2C1(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N02 compound treatment 0.393 -3.87E-4 -0.01 0.394 3.13E-5 0.0 -0.0086 -0.6005 1679896 Enamine_000288 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N03 compound treatment 0.412 0.0186 0.68 0.421 0.027 1.75 1.7202 0.916 1920250 Enamine_000289 CN(/C=C/C=[N+](\C)/c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N04 compound treatment 0.391 -0.00239 -0.09 0.392 -0.00197 -0.13 -0.1521 -0.9834 2060642 Enamine_000290 Cc1cc(NC2=CC(=O)CCC2)ccc1I 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N05 compound treatment 0.403 0.00961 0.35 0.392 -0.00197 -0.13 0.1595 0.4251 1057118 Enamine_000291 FC(F)(F)C(=O)Nc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N06 compound treatment 0.396 0.00261 0.1 0.392 -0.00197 -0.13 -0.0222 -0.1394 1714957 Enamine_000292 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)c4ccncc4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N07 compound treatment 0.422 0.0286 1.05 0.404 0.01 0.65 1.202 0.9732 1519751 Enamine_000293 COc1cccc2sc(=NC(=O)c3ccccc3Cl)[nH]c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N08 compound treatment 0.396 0.00261 0.1 0.392 -0.00197 -0.13 -0.0222 -0.1394 1251008 Enamine_000294 Brc1c(CSC2CCS(=O)(=O)C2)nc3ccccn13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N09 compound treatment 0.392 -0.00139 -0.05 0.39 -0.00397 -0.26 -0.2176 -0.8312 1525743 Enamine_000295 NC(=O)CC1CS(=O)(=O)C=C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N10 compound treatment 0.398 0.00461 0.17 0.396 0.00203 0.13 0.2127 0.9921 1594703 Enamine_000296 Fc1ccc(cc1)C(=O)N(C(=O)c2ccc(F)cc2)c3ncccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N11 compound treatment 0.394 6.13E-4 0.02 0.397 0.00303 0.2 0.1546 0.7831 1625316 Enamine_000297 OC1Oc2ccccc2OC1C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N12 compound treatment 0.413 0.0196 0.72 0.415 0.021 1.36 1.4716 0.9557 1497186 Enamine_000298 CN(Cc1ccccc1)C(=O)COc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N13 compound treatment 0.403 0.00961 0.35 0.395 0.00103 0.07 0.2968 0.8261 2060643 Enamine_000299 Cc1ccc(OC(=O)NC2(OCCO2)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N14 compound treatment 0.39 -0.00339 -0.12 0.392 -0.00197 -0.13 -0.178 -0.9999 2060644 Enamine_000300 CC[N+](=c1[nH]c2ccccc2s1)CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N15 compound treatment 0.404 0.0106 0.39 0.389 -0.00497 -0.32 0.0482 0.0954 2060645 Enamine_000301 COc1ccccc1[n+]2c(C)cc(C)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N16 compound treatment 0.451 0.0576 2.12 0.453 0.059 3.82 4.1972 0.9612 2060646 Enamine_000302 C=C1C(C1C(=O)NCc2ccco2)C(=O)NCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N17 compound treatment 0.401 0.00761 0.28 0.402 0.00803 0.52 0.5652 0.9577 2060647 Enamine_000303 ClCCCC(=O)Nc1ccccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N18 compound treatment 0.44 0.0466 1.71 0.441 0.047 3.04 3.3624 0.9629 1147613 Enamine_000304 C=C1C(C1C(=O)Nc2ccccc2)C(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N19 compound treatment 0.396 0.00261 0.1 0.402 0.00803 0.52 0.4353 0.8237 2060648 Enamine_000305 Brc1ccc(/N=C/c2ccc3OCCOc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N20 compound treatment 0.396 0.00261 0.1 0.394 3.13E-5 0.0 0.0693 0.7218 2060649 Enamine_000306 Brc1ccc(cc1)C(=O)OCC2COc3ccccc3O2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N21 compound treatment 0.4 0.00661 0.24 0.401 0.00703 0.46 0.4935 0.9568 2060650 Enamine_000307 Cc1sc2cc(ccc2[n+]1c3ccccc3)[n+]4ccc(O)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N22 compound treatment 0.392 -0.00139 -0.05 0.389 -0.00497 -0.32 -0.2634 -0.809 2060651 Enamine_000308 COC(=O)c1c(OC)n(nc1c2ccccc2)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N23 mock treatment 0.395 0.00161 0.06 0.399 0.00503 0.33 0.2721 0.8222 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 N24 mock treatment 0.389 -0.00439 -0.16 0.393 -9.69E-4 -0.06 -0.1582 -0.9154 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O01 compound treatment 0.389 -0.00439 -0.16 0.396 0.00203 0.13 -0.021 -0.1009 1536133 Enamine_000309 CC(=O)Nc1sc2CCCCc2c1CN3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O02 compound treatment 0.389 -0.00439 -0.16 0.398 0.00403 0.26 0.0705 0.2301 2060652 Enamine_000310 C/C(=C(/N)\c1ccccc1)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O03 compound treatment 0.388 -0.00539 -0.2 0.395 0.00103 0.07 -0.0927 -0.444 1030656 Enamine_000311 CCSc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O04 compound treatment 0.385 -0.00839 -0.31 0.395 0.00103 0.07 -0.1706 -0.5413 1142785 Enamine_000312 NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O05 compound treatment 0.395 0.00161 0.06 0.399 0.00503 0.33 0.2721 0.8222 2060653 Enamine_000313 Oc1ccccc1/C=N/c2nnc[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O06 compound treatment 0.403 0.00961 0.35 0.403 0.00903 0.58 0.6629 0.9709 2060654 Enamine_000314 Oc1ccccc1/C=N/[n+]2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O07 compound treatment 0.416 0.0226 0.83 0.405 0.011 0.71 1.0919 0.9972 2060655 Enamine_000315 O=C/1OC(=N\C1=C/2\CCc3ccccc3N2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O08 compound treatment 0.393 -3.87E-4 -0.01 0.403 0.00903 0.58 0.4032 0.6897 1574848 Enamine_000316 COc1cccc(c1)C(=O)Oc2ccc3C(=CC(C)(C)Nc3c2)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O09 compound treatment 0.392 -0.00139 -0.05 0.392 -0.00197 -0.13 -0.1261 -0.9191 1155435 Enamine_000317 COc1ccc(cc1)N2Cc3ccc(OC)c(OC)c3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O10 compound treatment 0.388 -0.00539 -0.2 0.392 -0.00197 -0.13 -0.23 -0.9773 1702340 Enamine_000318 C(C#Cc1ccccc1)N2CCN(CC2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O11 compound treatment 0.38 -0.0134 -0.49 0.388 -0.00597 -0.39 -0.6207 -0.9929 2060656 Enamine_000319 Fc1ccc(cc1)C(=O)N=c2[nH]ccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O12 compound treatment 0.456 0.0626 2.3 0.452 0.058 3.76 4.2812 0.9723 1514080 Enamine_000320 CCc1ccc(cc1)c2csc(=NC(=O)c3cccs3)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O13 compound treatment 0.398 0.00461 0.17 0.384 -0.00997 -0.65 -0.3364 -0.5043 1250613 Enamine_000321 O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O14 compound treatment 0.426 0.0326 1.2 0.42 0.026 1.68 2.038 0.986 1917012 Enamine_000322 NNc1nc(cc(n1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O15 compound treatment 0.385 -0.00839 -0.31 0.397 0.00303 0.2 -0.0791 -0.2166 1448512 Enamine_000323 C[N+]1(CCOS(=O)C2(CC3CC4CC(C3)C2)C4)CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O16 compound treatment 0.405 0.0116 0.43 0.39 -0.00397 -0.26 0.1199 0.2409 1295901 Enamine_000324 CCN(CC)c1ncnc2sc3CCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O17 compound treatment 0.387 -0.00639 -0.23 0.39 -0.00397 -0.26 -0.3475 -0.999 1517789 Enamine_000325 CC(C)C1CCC(C)CC1OCC(O)CN2CCN(CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O18 compound treatment 0.39 -0.00339 -0.12 0.402 0.00803 0.52 0.2795 0.5231 2060657 Enamine_000326 C(=N/[n+]1ccccc1)\c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O19 compound treatment 0.378 -0.0154 -0.57 0.385 -0.00897 -0.58 -0.8099 -0.9999 1213677 Enamine_000327 Cc1cccc(NCc2cn3ccccc3n2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O20 compound treatment 0.388 -0.00539 -0.2 0.395 0.00103 0.07 -0.0927 -0.444 2060658 Enamine_000328 CC(C)c1nc(C)cc(O)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O21 compound treatment 0.387 -0.00639 -0.23 0.387 -0.00697 -0.45 -0.4847 -0.9536 1120123 Enamine_000329 NCCSc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O22 compound treatment 0.384 -0.00939 -0.34 0.398 0.00403 0.26 -0.0593 -0.1371 1488496 Enamine_000330 COC(=O)CC1(CC2CC3C1)CC(C2)(C3)C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O23 mock treatment 0.388 -0.00539 -0.2 0.391 -0.00297 -0.19 -0.2757 -0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 O24 mock treatment 0.39 -0.00339 -0.12 0.388 -0.00597 -0.39 -0.3611 -0.8898 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P01 compound treatment 0.393 -3.87E-4 -0.01 0.392 -0.00197 -0.13 -0.1001 -0.7812 2060659 Enamine_000331 Cc1ccc(cc1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P02 compound treatment 0.394 6.13E-4 0.02 0.399 0.00503 0.33 0.2461 0.7542 1684080 Enamine_000332 CC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P03 compound treatment 0.404 0.0106 0.39 0.399 0.00503 0.33 0.5058 0.996 1083 Enamine_000333 C(C1=NCCN1)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P04 compound treatment 0.39 -0.00339 -0.12 0.388 -0.00597 -0.39 -0.3611 -0.8898 2060660 Enamine_000334 Ic1ccc(NC2=CC(=O)CCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P05 compound treatment 0.399 0.00561 0.21 0.401 0.00703 0.46 0.4675 0.9359 1250228 Enamine_000335 COc1cccc(c1)C(=O)Nc2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P06 compound treatment 0.394 6.13E-4 0.02 0.395 0.00103 0.07 0.0631 0.896 1703691 Enamine_000336 COc1ccccc1NC(=O)COc2ccc(Oc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P07 compound treatment 0.403 0.00961 0.35 0.401 0.00703 0.46 0.5713 0.9921 1514594 Enamine_000337 O=S1(=O)CC(C=C1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P08 compound treatment 0.401 0.00761 0.28 0.4 0.00603 0.39 0.4737 0.9866 2060661 Enamine_000338 COc1ccc(cc1)c2nc(N)s[n+]2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P09 compound treatment 0.398 0.00461 0.17 0.406 0.012 0.78 0.6703 0.8413 2060662 Enamine_000339 CC1Oc2ccccc2OC1(O)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P10 compound treatment 0.395 0.00161 0.06 0.394 3.13E-5 0.0 0.0433 0.7308 1437433 Enamine_000340 COc1cccc(OCC(=O)Nc2ccncc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P11 compound treatment 0.393 -3.87E-4 -0.01 0.393 -9.69E-4 -0.06 -0.0544 -0.846 1328931 Enamine_000341 O=C1NC(C=C(C1C#N)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P12 compound treatment 0.389 -0.00439 -0.16 0.39 -0.00397 -0.26 -0.2955 -0.9748 1352119 Enamine_000342 O=C(CC1COc2ccccc2O1)Oc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P13 compound treatment 0.395 0.00161 0.06 0.399 0.00503 0.33 0.2721 0.8222 2060663 Enamine_000343 CO/C(=C\c1cccc(O)c1)/C(=O)Nc2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P14 compound treatment 0.393 -3.87E-4 -0.01 0.399 0.00503 0.33 0.2202 0.6756 1151013 Enamine_000344 CCN1CCN(CC1)C(=O)c2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P15 compound treatment 0.389 -0.00439 -0.16 0.382 -0.012 -0.77 -0.6616 -0.8363 1588395 Enamine_000345 CC(C)c1c(C)c2ccc(O)cc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P16 compound treatment 0.393 -3.87E-4 -0.01 0.392 -0.00197 -0.13 -0.1001 -0.7812 1193685 Enamine_000346 CC(C)(C)c1csc(NC(=O)c2ccncc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P17 compound treatment 0.392 -0.00139 -0.05 0.402 0.00803 0.52 0.3315 0.6348 2060664 Enamine_000347 COc1ccc(/N=C/c2ccc3ncccc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P18 compound treatment 0.407 0.0136 0.5 0.403 0.00903 0.58 0.7667 0.997 2060665 Enamine_000348 Oc1ccc2ccccc2c1/C=N/Cc3cn4ccsc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P19 compound treatment 0.398 0.00461 0.17 0.403 0.00903 0.58 0.533 0.876 2060666 Enamine_000349 O=S1(=O)CCC(C1)C(C#N)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P20 compound treatment 0.442 0.0486 1.79 0.437 0.043 2.78 3.2313 0.9769 2060667 Enamine_000350 Cc1ccc(cn1)C(O)C/N=C/c2c(O)ccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P21 compound treatment 0.4 0.00661 0.24 0.401 0.00703 0.46 0.4935 0.9568 1265486 Enamine_000351 Cc1nc2cc(ccc2n1c3ccccc3)n4ccc(=O)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P22 compound treatment 0.392 -0.00139 -0.05 0.39 -0.00397 -0.26 -0.2176 -0.8312 2060668 Enamine_000352 COc1ccc(cc1)C2(NC(=O)C3=C(CC(C)(C)CC3=O)O2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P23 mock treatment 0.398 0.00461 0.17 0.396 0.00203 0.13 0.2127 0.9921 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1394 P24 mock treatment 0.388 -0.00539 -0.2 0.398 0.00403 0.26 0.0446 0.1362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A01 compound treatment 0.385 -0.00745 -0.27 0.384 -0.0103 -0.67 -0.6668 -0.9221 1467442 Enamine_000353 O=C1CCCC(=C1)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A02 compound treatment 0.402 0.00955 0.35 0.399 0.00466 0.3 0.461 0.9972 1666591 Enamine_000354 CC1(CC2(C)CC3(C)C1)CC(C2)(C3)C(=O)NCCc4ccc(cc4)S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A03 compound treatment 0.433 0.0405 1.49 0.442 0.0477 3.08 3.2336 0.9442 2060669 Enamine_000355 ClC(=C1N=C(NC1=O)c2ccccc2)Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A04 compound treatment 0.387 -0.00545 -0.2 0.394 -3.44E-4 -0.02 -0.1573 -0.7809 1918096 Enamine_000356 COc1ccc(OC)c(c1)c2n(C)c3ccccc3[n+]2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A05 compound treatment 0.393 5.48E-4 0.02 0.39 -0.00434 -0.28 -0.1845 -0.6548 2060670 Enamine_000357 CCn1c(C)nc2cc(O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A06 compound treatment 0.391 -0.00145 -0.05 0.396 0.00166 0.11 0.0381 0.3182 1412972 Enamine_000358 O=C1NC(Oc2ccccc12)c3cccc(Oc4ccccc4)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A07 compound treatment 0.388 -0.00445 -0.16 0.396 0.00166 0.11 -0.0398 -0.2036 2060671 Enamine_000359 Fc1ccc(/C=C\2/SC(=N)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A08 compound treatment 0.396 0.00355 0.13 0.395 6.56E-4 0.04 0.1222 0.8914 1475449 Enamine_000360 CCc1nnc2c3ccccc3nc(c4ccncc4)n12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A09 compound treatment 0.395 0.00255 0.09 0.388 -0.00634 -0.41 -0.2241 -0.5323 2060672 Enamine_000361 CCOC(=O)c1c(NC(=O)C(F)(F)F)scc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A10 compound treatment 0.39 -0.00245 -0.09 0.384 -0.0103 -0.67 -0.537 -0.7951 1727528 Enamine_000362 CN(C)CCOC(=O)c1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A11 compound treatment 0.391 -0.00145 -0.05 0.392 -0.00234 -0.15 -0.1449 -0.9016 1555783 Enamine_000363 CC(C)(C)C1CCC(CC1)OCC(O)CN2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A12 compound treatment 0.4 0.00755 0.28 0.396 0.00166 0.11 0.2718 0.9145 2060673 Enamine_000364 COC(=C(C#N)C#N)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A13 compound treatment 0.383 -0.00945 -0.35 0.394 -3.44E-4 -0.02 -0.2612 -0.7509 1257779 Enamine_000365 CC(NC(=O)c1cccs1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A14 compound treatment 0.401 0.00855 0.31 0.378 -0.0163 -1.06 -0.5259 -0.4767 1204468 Enamine_000366 COc1cc(C(=O)Nc2ccc(O)cc2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A15 compound treatment 0.387 -0.00545 -0.2 0.389 -0.00534 -0.35 -0.3861 -0.9662 2060674 Enamine_000367 C(=N/c1cnc2ccc3ccccc3c2c1)\c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A16 compound treatment 0.401 0.00855 0.31 0.399 0.00466 0.3 0.435 0.9998 2060675 Enamine_000368 CSC(=S)Nc1ccc(cc1)c2nc3ccc(C)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A17 compound treatment 0.374 -0.0185 -0.68 0.388 -0.00634 -0.41 -0.7694 -0.9712 1662076 Enamine_000369 COc1cccc(NC(=O)C2C(C(=O)Nc3cccc(OC)c3)C2=C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A18 compound treatment 0.384 -0.00845 -0.31 0.391 -0.00334 -0.22 -0.3725 -0.9845 1313471 Enamine_000370 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NCc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A19 compound treatment 0.391 -0.00145 -0.05 0.379 -0.0153 -0.99 -0.7398 -0.744 2060676 Enamine_000371 Cn1cnnc1SCc2cn3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A20 compound treatment 0.385 -0.00745 -0.27 0.392 -0.00234 -0.15 -0.3007 -0.9613 1508789 Enamine_000372 Cc1c(oc2ccccc12)C(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A21 compound treatment 0.392 -4.52E-4 -0.02 0.392 -0.00234 -0.15 -0.119 -0.7798 1582552 Enamine_000373 COc1cc(OC)cc(c1)C(=O)c2c(C)c(C#N)c3ccccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A22 compound treatment 0.386 -0.00645 -0.24 0.385 -0.00934 -0.6 -0.5951 -0.9163 2060677 Enamine_000374 Cc1cc2nc(SCC(=O)C(C)(C)C)[nH]c2cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A23 mock treatment 0.961 0.569 20.88 0.388 -0.00634 -0.41 14.4729 0.6931 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 A24 mock treatment 0.378 -0.0145 -0.53 0.386 -0.00834 -0.54 -0.7571 -1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B01 compound treatment 0.447 0.0545 2.0 0.45 0.0557 3.6 3.9632 0.9617 2060678 Enamine_000375 Cn1cc(C=C2C(=O)CC(C)(C)CC2=O)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B02 compound treatment 0.407 0.0145 0.53 0.412 0.0177 1.14 1.1857 0.9401 1650123 Enamine_000376 CCc1cc(C(=O)O)c(NC(=O)c2ccc(Br)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B03 compound treatment 0.404 0.0115 0.42 0.411 0.0167 1.08 1.062 0.9169 1126282 Enamine_000377 CN(C1CCN(C)CC1)C(=O)c2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B04 compound treatment 0.386 -0.00645 -0.24 0.393 -0.00134 -0.09 -0.229 -0.9074 1635795 Enamine_000378 Nc1nc2ccccc2n1CCOc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B05 compound treatment 0.399 0.00655 0.24 0.408 0.0137 0.88 0.7949 0.868 1440586 Enamine_000379 CCCCn1c(nc2ccccc12)c3ccc(N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B06 compound treatment 0.396 0.00355 0.13 0.402 0.00766 0.5 0.4425 0.8637 1591701 Enamine_000380 CS(=O)(=O)c1nc2ccccc2n1Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B07 compound treatment 0.403 0.0105 0.39 0.405 0.0107 0.69 0.7615 0.9628 1595282 Enamine_000381 CC(=O)Oc1cc2oc(=O)c3CCCc3c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B08 compound treatment 0.411 0.0185 0.68 0.416 0.0217 1.4 1.4726 0.9451 1319084 Enamine_000382 CC[N+]1(CC(O)COC2CC(C)CC(C)(C)C2)CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B09 compound treatment 0.549 0.157 5.75 0.557 0.163 10.53 11.5078 0.9595 2060679 Enamine_000383 COc1ccc(/N=C\2/N=C(N)c3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B10 compound treatment 0.397 0.00455 0.17 0.405 0.0107 0.69 0.6057 0.8537 1511938 Enamine_000384 CC(C)(C)C(=O)NCC(N1CCOCC1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B11 compound treatment 0.405 0.0125 0.46 0.398 0.00366 0.24 0.4931 0.952 2060680 Enamine_000385 Cc1ccc(cc1Cl)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B12 compound treatment 0.405 0.0125 0.46 0.401 0.00666 0.43 0.6304 0.9994 1607540 Enamine_000386 COc1cccc(c1)C(=O)N(c2ccccn2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B13 compound treatment 0.41 0.0175 0.64 0.419 0.0247 1.6 1.5839 0.9205 2060681 Enamine_000387 OC(=O)c1ccccc1C(=O)Cc2ccc(I)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B14 compound treatment 0.4 0.00755 0.28 0.404 0.00966 0.62 0.6379 0.9331 1379372 Enamine_000388 CN(C)CC1CCCCC1OC(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B15 compound treatment 0.405 0.0125 0.46 0.4 0.00566 0.37 0.5847 0.9935 1216574 Enamine_000389 Cc1oc2cc(O)ccc2c(=O)c1c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B16 compound treatment 0.404 0.0115 0.42 0.409 0.0147 0.95 0.9705 0.9342 1251205 Enamine_000390 O=C(Nc1ccccc1)C2CC3CCCC(C2)C3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B17 compound treatment 0.471 0.0785 2.88 0.434 0.0397 2.57 3.8542 0.9983 2060682 Enamine_000391 COc1ccc(/C=C/C(=O)Nc2ccn(n2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B18 compound treatment 0.406 0.0135 0.5 0.407 0.0127 0.82 0.9309 0.9715 2060683 Enamine_000392 CNc1nc(c2ccccc2)[n+](s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B19 compound treatment 0.407 0.0145 0.53 0.405 0.0107 0.69 0.8654 0.992 1578080 Enamine_000393 CC1CC(CC(C)(C)C1)OCC(O)C[N+]2(C)CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B20 compound treatment 0.381 -0.0115 -0.42 0.379 -0.0153 -0.99 -0.9995 -0.9269 1920525 Enamine_000394 Oc1ccccc1OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B21 compound treatment 0.407 0.0145 0.53 0.401 0.00666 0.43 0.6823 0.9943 2060684 Enamine_000395 Nc1scc[n+]1Cc2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B22 compound treatment 0.399 0.00655 0.24 0.397 0.00266 0.17 0.2916 0.9865 1206216 Enamine_000396 OC(=O)c1cccc(Oc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B23 mock treatment 0.397 0.00455 0.17 0.403 0.00866 0.56 0.5142 0.8797 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 B24 mock treatment 0.393 5.48E-4 0.02 0.397 0.00266 0.17 0.1358 0.7846 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C01 compound treatment 0.384 -0.00845 -0.31 0.384 -0.0103 -0.67 -0.6928 -0.9389 2060685 Enamine_000397 CC1(C)CCCC(C)(C)N1Sc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C02 compound treatment 0.379 -0.0135 -0.49 0.385 -0.00934 -0.6 -0.7768 -0.995 1446621 Enamine_000398 Clc1ccc2[nH]c(=NC(=O)c3ccc(Br)s3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C03 compound treatment 0.384 -0.00845 -0.31 0.39 -0.00434 -0.28 -0.4182 -0.9988 1255628 Enamine_000399 CC(=O)NC1=C(C(=O)c2ccccc2C1=O)c3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C04 compound treatment 0.378 -0.0145 -0.53 0.386 -0.00834 -0.54 -0.7571 -1.0 2060686 Enamine_000400 Cn1c(c2ccc(Cl)cc2)[n+](C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C05 compound treatment 0.378 -0.0145 -0.53 0.388 -0.00634 -0.41 -0.6655 -0.9919 2060687 Enamine_000401 CSC(=S)n1c(C)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C06 compound treatment 0.381 -0.0115 -0.42 0.384 -0.0103 -0.67 -0.7707 -0.9749 1668675 Enamine_000402 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C07 compound treatment 0.384 -0.00845 -0.31 0.385 -0.00934 -0.6 -0.647 -0.952 2060688 Enamine_000403 Nc1nc(Cl)c(c(Cl)n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C08 compound treatment 0.39 -0.00245 -0.09 0.416 0.0217 1.4 0.9273 0.6603 2060689 Enamine_000404 BrC1(CC2CC3C1)CC(CC(=O)NCC4CCCO4)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C09 compound treatment 0.373 -0.0195 -0.71 0.391 -0.00334 -0.22 -0.6581 -0.8817 2060690 Enamine_000405 COc1ccc(cc1)c2cc(=NO)c3cc(F)ccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C10 compound treatment 0.383 -0.00945 -0.35 0.385 -0.00934 -0.6 -0.673 -0.9653 2060691 Enamine_000406 OCN1CCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C11 compound treatment 0.382 -0.0105 -0.38 0.38 -0.0143 -0.93 -0.9277 -0.9236 1488292 Enamine_000407 CC(C)(C)C1CCC(CC1)OCC(O)CN2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C12 compound treatment 0.386 -0.00645 -0.24 0.393 -0.00134 -0.09 -0.229 -0.9074 1033593 Enamine_000408 OC(=O)c1cccc(Cl)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C13 compound treatment 0.401 0.00855 0.31 0.407 0.0127 0.82 0.8011 0.9133 1344353 Enamine_000409 CC(C)c1cccc(C(C)C)c1NC(=O)c2ccc3ncccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C14 compound treatment 0.392 -4.52E-4 -0.02 0.393 -0.00134 -0.09 -0.0732 -0.8271 2060692 Enamine_000410 CN(C)c1ccc(/C=C\2/Sc3ccccc3C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C15 compound treatment 0.55 0.158 5.79 0.549 0.155 10.01 11.1677 0.9661 2060693 Enamine_000411 Cc1cc(C=C2C(=O)CCCC2=O)c(C)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C16 compound treatment 0.379 -0.0135 -0.49 0.38 -0.0143 -0.93 -1.0056 -0.9564 1389450 Enamine_000412 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(O)cc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C17 compound treatment 0.399 0.00655 0.24 0.395 6.56E-4 0.04 0.2001 0.8193 2060694 Enamine_000413 COC(=O)NC(=C(Cl)Cl)c1ccc(C)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C18 compound treatment 0.399 0.00655 0.24 0.398 0.00366 0.24 0.3373 1.0 2060695 Enamine_000414 CSc1ncc(Cl)c(n1)C(=O)Nc2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C19 compound treatment 0.384 -0.00845 -0.31 0.381 -0.0133 -0.86 -0.83 -0.9046 2060696 Enamine_000415 CC(C)N1C(SCC1=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C20 compound treatment 0.384 -0.00845 -0.31 0.381 -0.0133 -0.86 -0.83 -0.9046 1233605 Enamine_000416 Cc1c(oc2ccccc12)C(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C21 compound treatment 0.382 -0.0105 -0.38 0.376 -0.0183 -1.19 -1.1108 -0.8904 1564604 Enamine_000417 O=C(Nc1ccccn1)C2(CCC3CC2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C22 compound treatment 0.382 -0.0105 -0.38 0.378 -0.0163 -1.06 -1.0192 -0.9059 1196594 Enamine_000418 COc1cc2CC(=O)OC(c3ccccc3F)c2cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C23 mock treatment 0.377 -0.0155 -0.57 0.378 -0.0163 -1.06 -1.1491 -0.9574 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 C24 mock treatment 0.378 -0.0145 -0.53 0.377 -0.0173 -1.12 -1.1689 -0.9415 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D01 compound treatment 0.432 0.0395 1.45 0.431 0.0367 2.37 2.7043 0.9723 1406626 Enamine_000419 Fc1ccc(cc1)c2nc3C(=O)c4ccccc4C(=O)c3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D02 compound treatment 0.396 0.00355 0.13 0.396 0.00166 0.11 0.1679 0.9953 1276671 Enamine_000420 CN(C)c1ccc(CNc2nc3ccccc3n2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D03 compound treatment 0.475 0.0825 3.03 0.413 0.0187 1.21 2.9972 0.9186 2060697 Enamine_000421 NC1=N/C(=N/c2ccccc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D04 compound treatment 0.389 -0.00345 -0.13 0.384 -0.0103 -0.67 -0.5629 -0.8263 1727936 Enamine_000422 COc1ccc(OCCn2c(N)nc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D05 compound treatment 0.351 -0.0415 -1.52 0.346 -0.0483 -3.13 -3.2885 -0.9452 1144828 Enamine_000423 CCCn1c(nc2ccccc12)c3ccc(N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D06 compound treatment 0.418 0.0255 0.94 0.429 0.0347 2.24 2.2492 0.9252 1204445 Enamine_000424 O=C(Nc1ccccc1)c2cc(=O)[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D07 compound treatment 0.413 0.0205 0.75 0.417 0.0227 1.47 1.5703 0.9523 1051280 Enamine_000425 CC(=O)NC(c1ccccc1)(c2ccccc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D08 compound treatment 0.408 0.0155 0.57 0.407 0.0127 0.82 0.9829 0.9844 1688402 Enamine_000426 COc1ccc(Cl)cc1NC(=O)COc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D09 compound treatment 0.379 -0.0135 -0.49 0.386 -0.00834 -0.54 -0.7311 -0.999 1195814 Enamine_000427 CCC(C)Nc1ncnc2c3ccccc3oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D10 compound treatment 0.395 0.00255 0.09 0.394 -3.44E-4 -0.02 0.0504 0.5244 1309177 Enamine_000428 OCCNc1nc2ccccc2n1Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D11 compound treatment 0.628 0.236 8.65 0.459 0.0647 4.18 9.0749 0.9445 1314570 Enamine_000429 Oc1c(ccc2cccnc12)C(Nc3ccccn3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D12 compound treatment 0.383 -0.00945 -0.35 0.379 -0.0153 -0.99 -0.9475 -0.9008 2060698 Enamine_000430 Cc1cc(C[n+]2nc(sc2N)c3ccccc3)c4ncccc4c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D13 compound treatment 0.397 0.00455 0.17 0.409 0.0147 0.95 0.7887 0.819 2060699 Enamine_000431 FC(F)(F)C(=O)NCC(N1CCOCC1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D14 compound treatment 0.4 0.00755 0.28 0.39 -0.00434 -0.28 -0.0028 -0.007 1571928 Enamine_000432 CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D15 compound treatment 0.406 0.0135 0.5 0.396 0.00166 0.11 0.4276 0.8402 2060700 Enamine_000433 FC(F)(F)c1ccccc1N2C(=O)/C(=C\NCc3cccnc3)/c4ccccc4C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D16 compound treatment 0.408 0.0155 0.57 0.399 0.00466 0.3 0.6168 0.9554 1482928 Enamine_000434 CCc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D17 compound treatment 0.408 0.0155 0.57 0.407 0.0127 0.82 0.9829 0.9844 1503718 Enamine_000435 CN(C1CCS(=O)(=O)C1)C(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D18 compound treatment 0.403 0.0105 0.39 0.399 0.00466 0.3 0.487 0.9923 1400665 Enamine_000436 C(c1ccccc1)n2nnc3cnccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D19 compound treatment 0.404 0.0115 0.42 0.401 0.00666 0.43 0.6044 1.0 1298490 Enamine_000437 Nc1c(C#N)c2nc3ccccc3nc2n1c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D20 compound treatment 0.387 -0.00545 -0.2 0.395 6.56E-4 0.04 -0.1115 -0.545 1123680 Enamine_000438 CN(c1ccc(NC(=O)C)cc1)S(=O)(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D21 compound treatment 0.4 0.00755 0.28 0.392 -0.00234 -0.15 0.0888 0.2809 1740142 Enamine_000439 OC(COCc1ccccc1)CN2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D22 compound treatment 0.392 -4.52E-4 -0.02 0.395 6.56E-4 0.04 0.0183 0.4014 2060701 Enamine_000440 C(Oc1ccccc1)c2cc([nH]n2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D23 mock treatment 0.4 0.00755 0.28 0.393 -0.00134 -0.09 0.1345 0.463 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 D24 mock treatment 0.392 -4.52E-4 -0.02 0.389 -0.00534 -0.35 -0.2562 -0.7402 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E01 compound treatment 0.392 -4.52E-4 -0.02 0.4 0.00566 0.37 0.2471 0.6744 1337165 Enamine_000441 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E02 compound treatment 0.404 0.0115 0.42 0.4 0.00566 0.37 0.5587 0.9973 2060702 Enamine_000442 CN1CCN(CC1)C(=O)CC2(CC3CC4CC(Br)(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E03 compound treatment 0.401 0.00855 0.31 0.402 0.00766 0.5 0.5723 0.9758 1204286 Enamine_000443 CC(C)C(=O)NCc1cccnc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E04 compound treatment 0.399 0.00655 0.24 0.4 0.00566 0.37 0.4289 0.9792 2060703 Enamine_000444 Cn1c(c2ccccc2O)[n+](C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E05 compound treatment 0.4 0.00755 0.28 0.398 0.00366 0.24 0.3633 0.9969 1316671 Enamine_000445 CN(C(=O)COc1cccc(Br)c1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E06 compound treatment 0.401 0.00855 0.31 0.403 0.00866 0.56 0.6181 0.9625 2060704 Enamine_000446 Cc1cc(C)n(n1)c2nc(C)nc3sc4CCCc4c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E07 compound treatment 0.402 0.00955 0.35 0.407 0.0127 0.82 0.8271 0.9283 2060705 Enamine_000447 COc1cnc(N)nc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E08 compound treatment 0.406 0.0135 0.5 0.413 0.0187 1.21 1.2055 0.9232 2060706 Enamine_000448 COc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E09 compound treatment 0.402 0.00955 0.35 0.403 0.00866 0.56 0.644 0.9745 1608461 Enamine_000449 CC(C)COc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E10 compound treatment 0.406 0.0135 0.5 0.411 0.0167 1.08 1.114 0.9384 2060707 Enamine_000450 CC(=C)C(=O)Oc1ccc(NC(=O)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E11 compound treatment 0.402 0.00955 0.35 0.394 -3.44E-4 -0.02 0.2322 0.6609 2060708 Enamine_000451 CC1(C)CC(=O)C/C(=N\C2CCS(=O)(=O)C2)/C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E12 compound treatment 0.401 0.00855 0.31 0.404 0.00966 0.62 0.6638 0.9493 1033598 Enamine_000452 COC(=O)c1cccc(Cl)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E13 compound treatment 0.398 0.00555 0.2 0.407 0.0127 0.82 0.7232 0.8569 2060709 Enamine_000453 COc1cccc(NC2=NCCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E14 compound treatment 0.411 0.0185 0.68 0.406 0.0117 0.75 1.015 0.9987 1664311 Enamine_000454 CCOC(=O)c1c(C)n(c2ccc(cc2)N(C)C)c3ccc(OC)cc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E15 compound treatment 0.4 0.00755 0.28 0.405 0.0107 0.69 0.6836 0.9198 1300742 Enamine_000455 CC12COC3(CC2CCC13C)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E16 compound treatment 0.414 0.0215 0.79 0.414 0.0197 1.27 1.459 0.9739 2060710 Enamine_000456 Fc1ccccc1OC2OCCOC2Oc3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E17 compound treatment 0.409 0.0165 0.61 0.407 0.0127 0.82 1.0088 0.9892 2060711 Enamine_000457 CC(C)C1C(C=C(Cl)Cl)C1C(=O)N2CCN(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E18 compound treatment 0.412 0.0195 0.72 0.408 0.0137 0.88 1.1325 0.9947 1272079 Enamine_000458 CSc1ncc(Cl)c(n1)C(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E19 compound treatment 0.401 0.00855 0.31 0.398 0.00366 0.24 0.3893 0.9903 1659247 Enamine_000459 Clc1ccccc1NC(=O)Cn2nnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E20 compound treatment 0.411 0.0185 0.68 0.412 0.0177 1.14 1.2896 0.9695 1734693 Enamine_000460 Cc1ccc(cc1)n2cnc3C(=O)c4ccccc4C(=O)c32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E21 compound treatment 0.401 0.00855 0.31 0.396 0.00166 0.11 0.2978 0.8977 2060712 Enamine_000461 CC(C)C1CCC(C)CC1OC(=O)C[n+]2ccsc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E22 compound treatment 0.434 0.0415 1.53 0.453 0.0587 3.8 3.7629 0.9198 2060713 Enamine_000462 COc1ccc(/C=C(\NC(=O)c2ccccc2)/C(=O)Nc3ccc(F)cc3)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E23 mock treatment 0.394 0.00155 0.06 0.396 0.00166 0.11 0.116 0.956 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 E24 mock treatment 0.393 5.48E-4 0.02 0.398 0.00366 0.24 0.1815 0.7645 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F01 compound treatment 0.407 0.0145 0.53 0.402 0.00766 0.5 0.7281 0.9993 1251809 Enamine_000463 CC1CCCC(C)N1C(=O)COc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F02 compound treatment 0.403 0.0105 0.39 0.406 0.0117 0.75 0.8073 0.952 1508653 Enamine_000464 CCn1c(NCc2ccc3OCOc3c2)nc4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F03 compound treatment 0.436 0.0435 1.6 0.436 0.0417 2.7 3.0369 0.9689 1320572 Enamine_000465 COc1ccc2cc(Br)ccc2c1CC(=O)Nc3nccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F04 compound treatment 0.407 0.0145 0.53 0.401 0.00666 0.43 0.6823 0.9943 2060714 Enamine_000466 Clc1ccccc1/C=C(\NC(=O)c2ccccc2)/C(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F05 compound treatment 0.41 0.0175 0.64 0.418 0.0237 1.53 1.5381 0.9261 2060715 Enamine_000467 Cc1cc(C#N)c(C)n1c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F06 compound treatment 0.449 0.0565 2.08 0.455 0.0607 3.93 4.2439 0.9557 1455513 Enamine_000468 CCOc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F07 compound treatment 0.404 0.0115 0.42 0.414 0.0197 1.27 1.1993 0.8945 1570033 Enamine_000469 CC(C)c1ccc(OCC(O)CNC(C)(C)C)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F08 compound treatment 0.411 0.0185 0.68 0.419 0.0247 1.6 1.6099 0.928 1483882 Enamine_000470 Brc1cccc(OCC(=O)NCC2CCCO2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F09 compound treatment 0.412 0.0195 0.72 0.41 0.0157 1.01 1.224 0.9858 1376281 Enamine_000471 CCOC(=O)c1c(C)n(CC)c2cc(Br)c(OC)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F10 compound treatment 0.543 0.151 5.53 0.548 0.154 9.94 10.9402 0.9616 2060716 Enamine_000472 Cc1cc(C)c(N/C=C/2\N=C(OC2=O)c3ccccc3)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F11 compound treatment 0.392 -4.52E-4 -0.02 0.389 -0.00534 -0.35 -0.2562 -0.7402 2060717 Enamine_000473 Clc1ccc(CC(SC#N)C#N)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F12 compound treatment 0.408 0.0155 0.57 0.406 0.0117 0.75 0.9371 0.9906 1092010 Enamine_000474 O=C1CCCC(=C1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F13 compound treatment 0.413 0.0205 0.75 0.417 0.0227 1.47 1.5703 0.9523 1547686 Enamine_000475 O=C(Cc1ccccc1)NCC(N2CCOCC2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F14 compound treatment 0.407 0.0145 0.53 0.409 0.0147 0.95 1.0484 0.9631 2060718 Enamine_000476 CCCSc1nc2cc(C)c(C)cc2n1CC(C)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F15 compound treatment 0.435 0.0425 1.56 0.428 0.0337 2.18 2.6449 0.9867 2060719 Enamine_000477 COc1ccc(cc1)C2=Nc3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F16 compound treatment 0.412 0.0195 0.72 0.408 0.0137 0.88 1.1325 0.9947 1379441 Enamine_000478 O=C(Cn1c(nc2ccccc12)N3CCCCC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F17 compound treatment 0.423 0.0305 1.12 0.42 0.0257 1.66 1.9672 0.9818 1340359 Enamine_000479 CN(C1CCCCC1)C(=O)c2cccc(c2)S(=O)(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F18 compound treatment 0.417 0.0245 0.9 0.409 0.0147 0.95 1.3081 0.9997 2060720 Enamine_000480 Clc1cccc(NC(=O)/C(=C\c2cccnc2)/NC(=O)c3cccs3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F19 compound treatment 0.42 0.0275 1.01 0.425 0.0307 1.98 2.1181 0.9512 1561248 Enamine_000481 Nc1c(C#N)c2nc3ccccc3nc2n1Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F20 compound treatment 0.403 0.0105 0.39 0.408 0.0137 0.88 0.8988 0.9315 1113333 Enamine_000482 CCN(CC)S(=O)(=O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F21 compound treatment 0.409 0.0165 0.61 0.405 0.0107 0.69 0.9173 0.998 1588571 Enamine_000483 CCOc1cc2oc(=O)c3CCCc3c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F22 compound treatment 0.406 0.0135 0.5 0.402 0.00766 0.5 0.7021 1.0 1621669 Enamine_000484 CC(C)CCNC(=O)c1cccc(c1)S(=O)(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F23 mock treatment 0.399 0.00655 0.24 0.405 0.0107 0.69 0.6576 0.9005 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 F24 mock treatment 0.403 0.0105 0.39 0.399 0.00466 0.3 0.487 0.9923 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G01 compound treatment 0.389 -0.00345 -0.13 0.399 0.00466 0.3 0.1234 0.3776 2060721 Enamine_000485 Cc1cc(/N=C/c2cc(C)n(Cc3ccccc3)c2C)n(CCC#N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G02 compound treatment 0.402 0.00955 0.35 0.398 0.00366 0.24 0.4152 0.9817 2060722 Enamine_000486 c1nnc(o1)c2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G03 compound treatment 0.414 0.0215 0.79 0.406 0.0117 0.75 1.0929 0.9997 2060723 Enamine_000487 COc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G04 compound treatment 0.399 0.00655 0.24 0.404 0.00966 0.62 0.6119 0.9139 2060724 Enamine_000488 Cc1nc2ccccc2c(=O)n1c3cccc(c3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G05 compound treatment 0.408 0.0155 0.57 0.4 0.00566 0.37 0.6626 0.9769 1392298 Enamine_000489 Cc1ccccc1NC(=O)COc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G06 compound treatment 0.433 0.0405 1.49 0.424 0.0297 1.92 2.4099 0.9921 1515226 Enamine_000490 CN(C)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G07 compound treatment 0.436 0.0435 1.6 0.438 0.0437 2.83 3.1284 0.9637 2060725 Enamine_000491 CC(=C(C#N)C#N)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G08 compound treatment 0.404 0.0115 0.42 0.411 0.0167 1.08 1.062 0.9169 2060726 Enamine_000492 COc1ccc(/C=N/c2ccc(C)cc2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G09 compound treatment 0.398 0.00555 0.2 0.397 0.00266 0.17 0.2656 0.9964 2060727 Enamine_000493 [O-][n+]1ccc(cc1)C(=O)Nc2ccccc2I 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G10 compound treatment 0.409 0.0165 0.61 0.403 0.00866 0.56 0.8258 0.9992 1423079 Enamine_000494 CCN(CC)c1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G11 compound treatment 0.399 0.00655 0.24 0.4 0.00566 0.37 0.4289 0.9792 1923214 Enamine_000495 Cc1cc(cc(c1NC(=O)/C=C/C(=O)O)C(C)(C)C)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G12 compound treatment 0.401 0.00855 0.31 0.405 0.0107 0.69 0.7096 0.9365 2060728 Enamine_000496 COc1ccc(O)c(/C=N/c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G13 compound treatment 0.398 0.00555 0.2 0.404 0.00966 0.62 0.5859 0.8915 2060729 Enamine_000497 ClCCCC(=O)NCc1cccnc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G14 compound treatment 0.398 0.00555 0.2 0.407 0.0127 0.82 0.7232 0.8569 2060730 Enamine_000498 Cc1ccccc1NC(=O)/C=N/O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G15 compound treatment 0.399 0.00655 0.24 0.397 0.00266 0.17 0.2916 0.9865 1396874 Enamine_000499 CC12CC3(C2CCC13C)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G16 compound treatment 0.401 0.00855 0.31 0.399 0.00466 0.3 0.435 0.9998 1282161 Enamine_000500 OC(COCc1ccccc1)C[N+]2(Cc3ccccc3)CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G17 compound treatment 0.405 0.0125 0.46 0.411 0.0167 1.08 1.088 0.9281 2060731 Enamine_000501 C1CCc2nnc(c3ccco3)n2CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G18 compound treatment 0.412 0.0195 0.72 0.405 0.0107 0.69 0.9952 0.9998 1152201 Enamine_000502 COc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G19 compound treatment 0.478 0.0855 3.14 0.466 0.0717 4.64 5.5002 0.982 1344278 Enamine_000503 O=C(Cn1nnc2ccccc12)Nc3ccc4ccccc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G20 compound treatment 0.4 0.00755 0.28 0.393 -0.00134 -0.09 0.1345 0.463 1640768 Enamine_000504 CC1(C)C2(C)CCC1(OC2=O)C(=O)Nc3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G21 compound treatment 0.488 0.0955 3.51 0.478 0.0837 5.41 6.309 0.978 2060732 Enamine_000505 CCN1C(=O)/C(=C/c2ccc(NC(=O)C)cc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G22 compound treatment 0.398 0.00555 0.2 0.397 0.00266 0.17 0.2656 0.9964 1391887 Enamine_000506 COc1ccc2[nH]c(nc2c1)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G23 mock treatment 0.394 0.00155 0.06 0.391 -0.00334 -0.22 -0.1128 -0.5042 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 G24 mock treatment 0.403 0.0105 0.39 0.395 6.56E-4 0.04 0.3039 0.78 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H01 compound treatment 0.425 0.0325 1.2 0.415 0.0207 1.34 1.7904 0.9984 1705783 Enamine_000507 Clc1nc2ccccc2cc1C(=O)NCCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H02 compound treatment 0.405 0.0125 0.46 0.401 0.00666 0.43 0.6304 0.9994 1217148 Enamine_000508 OC(=O)c1ccccc1N(Cc2ccccc2)C(=O)COc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H03 compound treatment 0.397 0.00455 0.17 0.401 0.00666 0.43 0.4227 0.9149 2060733 Enamine_000509 Fc1ccc(/C=N/c2nc3ccccc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H04 compound treatment 0.397 0.00455 0.17 0.396 0.00166 0.11 0.1939 0.977 1291979 Enamine_000510 CCN(CC)CCNc1nc2cc(Cl)ccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H05 compound treatment 0.473 0.0805 2.96 0.478 0.0837 5.41 5.9195 0.9596 1383659 Enamine_000511 Fc1ccc(cc1)C(=O)Nc2cccc(c2)c3csc(=NC(=O)c4ccc(F)cc4)[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H06 compound treatment 0.441 0.0485 1.78 0.427 0.0327 2.11 2.7549 0.9964 1610555 Enamine_000512 CCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H07 compound treatment 0.498 0.106 3.88 0.499 0.105 6.77 7.5296 0.9649 1713817 Enamine_000513 COc1ccc(NC(=O)c2c3CCCCc3nc4ccccc24)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H08 compound treatment 0.406 0.0135 0.5 0.412 0.0177 1.14 1.1597 0.9306 1676393 Enamine_000514 Cc1ccc(Oc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H09 compound treatment 0.416 0.0235 0.86 0.41 0.0157 1.01 1.3279 0.9969 1693513 Enamine_000515 CCCCn1c(C)c(C(=O)O)c2cc(OC)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H10 compound treatment 0.405 0.0125 0.46 0.396 0.00166 0.11 0.4016 0.8489 1477062 Enamine_000516 CNC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H11 compound treatment 0.403 0.0105 0.39 0.399 0.00466 0.3 0.487 0.9923 1326799 Enamine_000517 Clc1nc2ccccc2cc1C(=O)NCc3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H12 compound treatment 0.383 -0.00945 -0.35 0.382 -0.0123 -0.8 -0.8103 -0.9303 2060734 Enamine_000518 CCOc1ccc2[n+](Cc3cc(C)cc4cccnc34)c(N)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H13 compound treatment 0.399 0.00655 0.24 0.407 0.0127 0.82 0.7492 0.8777 1418021 Enamine_000519 CN(C)C(=O)COc1ccc(Oc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H14 compound treatment 0.394 0.00155 0.06 0.393 -0.00134 -0.09 -0.0213 -0.2048 2060735 Enamine_000520 CCCSc1nc2cc(C)c(C)cc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H15 compound treatment 0.408 0.0155 0.57 0.405 0.0107 0.69 0.8913 0.9956 2060736 Enamine_000521 CC(=O)OC1=C(Sc2ccc(Cl)cc2)C(=O)CCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H16 compound treatment 0.402 0.00955 0.35 0.4 0.00566 0.37 0.5068 0.9998 1309725 Enamine_000522 CCCSc1nc2cc(C)c(C)cc2n1CC(O)CO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H17 compound treatment 0.409 0.0165 0.61 0.412 0.0177 1.14 1.2376 0.9563 1645299 Enamine_000523 Cc1ccc2c(CC(=O)O)coc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H18 compound treatment 0.399 0.00655 0.24 0.399 0.00466 0.3 0.3831 0.9938 1637609 Enamine_000524 C(Nc1ccccc1)c2nnc3CCCCCn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H19 compound treatment 0.53 0.138 5.05 0.516 0.122 7.87 9.1384 0.977 1217297 Enamine_000525 CCCCn1c(N)c(C#N)c2nc3ccccc3nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H20 compound treatment 0.399 0.00655 0.24 0.41 0.0157 1.01 0.8864 0.8513 2060737 Enamine_000526 Cc1nc(C)c(s1)c2csc(Nc3ccccc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H21 compound treatment 0.398 0.00555 0.2 0.4 0.00566 0.37 0.4029 0.9618 1052409 Enamine_000527 CC(NC(=O)c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H22 compound treatment 0.399 0.00655 0.24 0.395 6.56E-4 0.04 0.2001 0.8193 2060738 Enamine_000528 OC1(C/C(=N\n2cnnc2)/C=C1c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H23 mock treatment 0.405 0.0125 0.46 0.394 -3.44E-4 -0.02 0.3101 0.6722 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 H24 mock treatment 0.386 -0.00645 -0.24 0.4 0.00566 0.37 0.0913 0.2094 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I01 compound treatment 0.402 0.00955 0.35 0.404 0.00966 0.62 0.6898 0.9627 2060739 Enamine_000529 CN(C)c1ccc(/C=N/c2ccc(cc2)C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I02 compound treatment 0.416 0.0235 0.86 0.417 0.0227 1.47 1.6482 0.9683 2060740 Enamine_000530 FC(F)(F)S(=O)(=O)CCN1CCN(CC1)C(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I03 compound treatment 0.412 0.0195 0.72 0.417 0.0227 1.47 1.5443 0.946 2060741 Enamine_000531 Clc1cc2/C(=N/c3nc4ccccc4[nH]3)/C(=O)Nc2c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I04 compound treatment 0.399 0.00655 0.24 0.398 0.00366 0.24 0.3373 1.0 2060742 Enamine_000532 CC(=O)Nc1scc[n+]1Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I05 compound treatment 0.417 0.0245 0.9 0.404 0.00966 0.62 1.0793 0.984 1152434 Enamine_000533 C=C1C(C1C(=O)N2CCCC2)C(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I06 compound treatment 0.36 -0.0325 -1.19 0.353 -0.0413 -2.68 -2.7345 -0.9336 1195630 Enamine_000534 Clc1ccc(cc1)c2nc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I07 compound treatment 0.408 0.0155 0.57 0.401 0.00666 0.43 0.7083 0.9903 2060743 Enamine_000535 Cn1c(nc2ccccc12)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I08 compound treatment 0.41 0.0175 0.64 0.416 0.0217 1.4 1.4466 0.9379 2060744 Enamine_000536 Cc1ccc(/N=C/c2ccc(F)cc2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I09 compound treatment 0.396 0.00355 0.13 0.403 0.00866 0.56 0.4882 0.8489 1596193 Enamine_000537 Cc1cc(Nc2ccccc2)nn1C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I10 compound treatment 0.485 0.0925 3.4 0.485 0.0907 5.87 6.5514 0.9663 1068796 Enamine_000538 CN(C)c1ccc(cc1)C(=C(C#N)C#N)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I11 compound treatment 0.407 0.0145 0.53 0.405 0.0107 0.69 0.8654 0.992 1485357 Enamine_000539 Fc1ccc2oc(cc(=O)c2c1)c3cc(Cl)cc4COCOc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I12 compound treatment 0.76 0.368 13.5 0.772 0.378 24.44 26.8248 0.9608 2060745 Enamine_000540 C/C(=C\Nc1ccccc1)/C=Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I13 compound treatment 0.413 0.0205 0.75 0.409 0.0147 0.95 1.2042 0.9936 2060746 Enamine_000541 Cc1csc(Nc2ccccc2)[n+]1CCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I14 compound treatment 0.408 0.0155 0.57 0.405 0.0107 0.69 0.8913 0.9956 2060747 Enamine_000542 CC(=C)C(=O)Oc1cccc(c1)N2C(=O)CCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I15 compound treatment 0.402 0.00955 0.35 0.393 -0.00134 -0.09 0.1865 0.5161 2060748 Enamine_000543 CC12CC3(C2CCC13C)C(=O)Nc4ccc(Br)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I16 compound treatment 0.409 0.0165 0.61 0.401 0.00666 0.43 0.7343 0.9858 1545113 Enamine_000544 Cc1cc(ccc1N)N2OCc3ccccc3CO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I17 compound treatment 0.398 0.00555 0.2 0.405 0.0107 0.69 0.6317 0.8785 1037713 Enamine_000545 Oc1ccc(cc1)C2(CCCC2)c3ccc(O)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I18 compound treatment 0.412 0.0195 0.72 0.417 0.0227 1.47 1.5443 0.946 1169253 Enamine_000546 CC(C)NC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I19 compound treatment 0.43 0.0375 1.38 0.419 0.0247 1.6 2.1032 0.9974 1670775 Enamine_000547 O=c1n(cnc2sc3CCCCc3c12)n4cccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I20 compound treatment 0.406 0.0135 0.5 0.404 0.00966 0.62 0.7937 0.9936 1709576 Enamine_000548 C[N+]1(Cc2nc3ccccc3[nH]2)CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I21 compound treatment 0.398 0.00555 0.2 0.401 0.00666 0.43 0.4486 0.9416 2060749 Enamine_000549 CC1C/C(=C\c2ccccn2)/C(=O)\C(=C\c3ccccn3)\C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I22 compound treatment 0.412 0.0195 0.72 0.407 0.0127 0.82 1.0867 0.9978 1640510 Enamine_000550 CCOc1cc2oc(=O)cc(C)c2cc1OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I23 mock treatment 0.4 0.00755 0.28 0.404 0.00966 0.62 0.6379 0.9331 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 I24 mock treatment 0.395 0.00255 0.09 0.399 0.00466 0.3 0.2792 0.885 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J01 compound treatment 0.399 0.00655 0.24 0.395 6.56E-4 0.04 0.2001 0.8193 1475114 Enamine_000551 Clc1nc2ccccc2cc1C(=O)NCC3CCCO3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J02 compound treatment 0.404 0.0115 0.42 0.393 -0.00134 -0.09 0.2384 0.5507 1725586 Enamine_000552 CCOC(=O)c1c(NC(=O)C2CC2)scc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J03 compound treatment 0.389 -0.00345 -0.13 0.395 6.56E-4 0.04 -0.0596 -0.4458 1438002 Enamine_000553 CC(NC(=O)c1ccc(Br)o1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J04 compound treatment 0.396 0.00355 0.13 0.395 6.56E-4 0.04 0.1222 0.8914 1466643 Enamine_000554 CCOC(=O)c1c(NC(=O)c2ccccc2)sc3CCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J05 compound treatment 0.397 0.00455 0.17 0.398 0.00366 0.24 0.2854 0.9855 2060750 Enamine_000555 CSC(=Nc1cccc(c1)C(F)(F)F)SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J06 compound treatment 0.406 0.0135 0.5 0.395 6.56E-4 0.04 0.3818 0.7647 1297340 Enamine_000556 COc1ccc(CNc2nc3ccccc3n2C)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J07 compound treatment 0.398 0.00555 0.2 0.398 0.00366 0.24 0.3114 0.9972 2060751 Enamine_000557 COc1nccc(N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J08 compound treatment 0.398 0.00555 0.2 0.399 0.00466 0.3 0.3571 0.9818 1272745 Enamine_000558 COc1ccc(Cc2nc3ccccc3[nH]2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J09 compound treatment 0.422 0.0295 1.09 0.418 0.0237 1.53 1.8497 0.9858 1257788 Enamine_000559 CCc1cc(C(=O)O)c(NC(=O)c2cccc(C)c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J10 compound treatment 0.396 0.00355 0.13 0.393 -0.00134 -0.09 0.0307 0.1957 1196017 Enamine_000560 CCN1CCN(CC1)C(=O)COc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J11 compound treatment 0.398 0.00555 0.2 0.395 6.56E-4 0.04 0.1741 0.8365 1156570 Enamine_000561 Clc1ccc2nc(CN3CCCCC3)cn2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J12 compound treatment 0.404 0.0115 0.42 0.398 0.00366 0.24 0.4672 0.962 2060752 Enamine_000562 Fc1ccc(cc1)C2=Nn3c(Cc4ccccc4)nnc3SC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J13 compound treatment 0.42 0.0275 1.01 0.426 0.0317 2.05 2.1639 0.9471 1215363 Enamine_000563 CSc1nc2CC(C)(C)CC(=O)c2c(c1C#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J14 compound treatment 0.394 0.00155 0.06 0.39 -0.00434 -0.28 -0.1586 -0.5529 2060753 Enamine_000564 COC(=O)C1CCC(C(=O)O)C1(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J15 compound treatment 0.392 -4.52E-4 -0.02 0.398 0.00366 0.24 0.1556 0.6559 1208966 Enamine_000565 COc1ccc(cc1)n2c(C)cc(=O)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J16 compound treatment 0.397 0.00455 0.17 0.392 -0.00234 -0.15 0.0109 0.0481 1349339 Enamine_000566 Cc1cccc(NC(=O)C2(CCC3(C)C(=O)O2)C3(C)C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J17 compound treatment 0.437 0.0445 1.64 0.458 0.0637 4.12 4.0696 0.9182 1081093 Enamine_000567 O=C1C(=Nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J18 compound treatment 0.397 0.00455 0.17 0.394 -3.44E-4 -0.02 0.1024 0.6076 1244692 Enamine_000568 Cc1cc(C)n(n1)c2ccc(cc2)C(=O)NCCc3c[nH]c4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J19 compound treatment 0.489 0.0965 3.55 0.474 0.0797 5.15 6.1519 0.9833 1221523 Enamine_000569 CC(c1ccccc1)n2c(N)c(C#N)c3nc4ccccc4nc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J20 compound treatment 0.397 0.00455 0.17 0.397 0.00266 0.17 0.2397 0.9999 2060754 Enamine_000570 CCCN(CCC)S(=O)(=O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J21 compound treatment 0.396 0.00355 0.13 0.395 6.56E-4 0.04 0.1222 0.8914 2060755 Enamine_000571 OC(=O)CC(NC(=O)Cc1ccccc1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J22 compound treatment 0.391 -0.00145 -0.05 0.395 6.56E-4 0.04 -0.0077 -0.1125 2060756 Enamine_000572 CN1CCC2C(C1)c3cc(C)ccc3N2C(=O)/C=C/c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J23 mock treatment 0.388 -0.00445 -0.16 0.392 -0.00234 -0.15 -0.2228 -0.9993 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 J24 mock treatment 0.39 -0.00245 -0.09 0.394 -3.44E-4 -0.02 -0.0794 -0.8561 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K01 compound treatment 0.4 0.00755 0.28 0.395 6.56E-4 0.04 0.226 0.806 1566695 Enamine_000573 CC(=O)Nc1nc2CC(C)(C)CC(=O)c2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K02 compound treatment 0.41 0.0175 0.64 0.408 0.0137 0.88 1.0806 0.988 2060757 Enamine_000574 CCNc1ccc(cc1NC(=O)C2(CCC3CC2)C3)S(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K03 compound treatment 0.401 0.00855 0.31 0.403 0.00866 0.56 0.6181 0.9625 1560228 Enamine_000575 CC(NC(=O)c1ccc(Br)o1)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K04 compound treatment 0.396 0.00355 0.13 0.405 0.0107 0.69 0.5797 0.8261 1316353 Enamine_000576 COc1ccc(cc1)c2cn3c(nc4ccccc43)n2CCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K05 compound treatment 0.432 0.0395 1.45 0.422 0.0277 1.79 2.2924 0.9946 2060758 Enamine_000577 Fc1cc(C(=O)NCc2ccc(Cl)cc2)c(F)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K06 compound treatment 0.548 0.156 5.71 0.553 0.159 10.27 11.2988 0.9617 2060759 Enamine_000578 CN1/C(=C\C=C(/C#N)\c2nc3ccccc3[nH]2)/C(C)(C)c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K07 compound treatment 0.411 0.0185 0.68 0.39 -0.00434 -0.28 0.2829 0.3839 2060760 Enamine_000579 CCNc1ccc(cc1N)S(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K08 compound treatment 0.409 0.0165 0.61 0.408 0.0137 0.88 1.0546 0.9833 2060761 Enamine_000580 COc1ccc(SCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K09 compound treatment 0.396 0.00355 0.13 0.397 0.00266 0.17 0.2137 0.9907 1279517 Enamine_000581 O=C(N1CCc2ccccc2C1)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K10 compound treatment 0.44 0.0475 1.75 0.438 0.0437 2.83 3.2323 0.9733 2060762 Enamine_000582 CCOC(=O)/C=C/c1ccc(N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K11 compound treatment 0.403 0.0105 0.39 0.401 0.00666 0.43 0.5785 0.9986 1937372 Enamine_000583 Cc1c(CCO)sc[n+]1CC(=O)OC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K12 compound treatment 0.408 0.0155 0.57 0.403 0.00866 0.56 0.7998 1.0 2060763 Enamine_000584 Cc1cc(=O)cc(C)n1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K13 compound treatment 0.411 0.0185 0.68 0.393 -0.00134 -0.09 0.4201 0.6119 1448502 Enamine_000585 CC1=CC(C)(C)Nc2ccc(OC(=O)Cc3ccccc3)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K14 compound treatment 0.406 0.0135 0.5 0.411 0.0167 1.08 1.114 0.9384 1052318 Enamine_000586 OC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K15 compound treatment 0.397 0.00455 0.17 0.4 0.00566 0.37 0.3769 0.9368 2060764 Enamine_000587 O=c1n(cnc2scc(c3ccccc3)c12)n4cccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K16 compound treatment 0.411 0.0185 0.68 0.404 0.00966 0.62 0.9235 0.9991 2060765 Enamine_000588 C=CC[n+]1cc(c2ccccc2)n3CCCCCc31 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K17 compound treatment 0.401 0.00855 0.31 0.399 0.00466 0.3 0.435 0.9998 1606234 Enamine_000589 Cc1cc(=O)cc(C)n1c2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K18 compound treatment 0.435 0.0425 1.56 0.458 0.0637 4.12 4.0176 0.9119 2060766 Enamine_000590 CSc1ncc(Cl)c(n1)C(=O)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K19 compound treatment 0.394 0.00155 0.06 0.393 -0.00134 -0.09 -0.0213 -0.2048 1561959 Enamine_000591 CCC(=O)Nc1ncnc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K20 compound treatment 0.405 0.0125 0.46 0.398 0.00366 0.24 0.4931 0.952 1044631 Enamine_000592 Cc1ccc(SCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K21 compound treatment 0.393 5.48E-4 0.02 0.394 -3.44E-4 -0.02 -0.0015 -0.0496 1476053 Enamine_000593 CC(C)CCOc1cccc(OCC(=O)NCC2CCCO2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K22 compound treatment 0.404 0.0115 0.42 0.414 0.0197 1.27 1.1993 0.8945 1489112 Enamine_000594 CC(=O)Oc1ccc(cc1C)c2ccc(cc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K23 mock treatment 0.394 0.00155 0.06 0.396 0.00166 0.11 0.116 0.956 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 K24 mock treatment 0.401 0.00855 0.31 0.399 0.00466 0.3 0.435 0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L01 compound treatment 0.407 0.0145 0.53 0.404 0.00966 0.62 0.8196 0.997 1326202 Enamine_000595 Clc1ccc(CNC(=O)c2cc3ccccc3nc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L02 compound treatment 0.405 0.0125 0.46 0.405 0.0107 0.69 0.8134 0.9808 1328604 Enamine_000596 OC(=O)c1ccccc1N(Cc2ccccc2)C(=O)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L03 compound treatment 0.405 0.0125 0.46 0.405 0.0107 0.69 0.8134 0.9808 1324703 Enamine_000597 CCN1CCN(CC1)C(=O)c2ccc(Cl)nc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L04 compound treatment 0.456 0.0635 2.33 0.474 0.0797 5.15 5.295 0.9358 1620483 Enamine_000598 NC1=C(C#N)C(c2sc3ccccc3c2O1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L05 compound treatment 0.411 0.0185 0.68 0.407 0.0127 0.82 1.0608 0.9958 2060767 Enamine_000599 CC(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L06 compound treatment 0.401 0.00855 0.31 0.406 0.0117 0.75 0.7553 0.9245 1920374 Enamine_000600 COc1ccc(NC(=O)c2ccc(Br)o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L07 compound treatment 0.399 0.00655 0.24 0.407 0.0127 0.82 0.7492 0.8777 1645228 Enamine_000601 CC1CCCN(C1)C(=O)c2ccc(Cl)nc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L08 compound treatment 0.433 0.0405 1.49 0.446 0.0517 3.34 3.4166 0.9336 2060768 Enamine_000602 Cc1ccccc1Oc2ccc(Oc3ccccc3C)nn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L09 compound treatment 0.41 0.0175 0.64 0.409 0.0147 0.95 1.1263 0.9823 1694610 Enamine_000603 Nc1ccc2n(CCCn3cnc4cc(N)ccc34)cnc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L10 compound treatment 0.402 0.00955 0.35 0.397 0.00266 0.17 0.3695 0.9462 2060769 Enamine_000604 CC1(C)CNC(=O)C=C(C1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L11 compound treatment 0.413 0.0205 0.75 0.407 0.0127 0.82 1.1127 0.9992 2060770 Enamine_000605 Cc1c(CCOC(=O)C2CC2)sc[n+]1CC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L12 compound treatment 0.411 0.0185 0.68 0.402 0.00766 0.5 0.832 0.9878 1173196 Enamine_000606 Nc1ncc(Cc2cccc3ccccc23)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L13 compound treatment 0.476 0.0835 3.07 0.469 0.0747 4.83 5.5856 0.976 2060771 Enamine_000607 Brc1ccc2oc(=N)c(cc2c1)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L14 compound treatment 0.395 0.00255 0.09 0.4 0.00566 0.37 0.325 0.8602 1726203 Enamine_000608 O=C(C1CC2CCCC(C1)C2=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L15 compound treatment 0.41 0.0175 0.64 0.409 0.0147 0.95 1.1263 0.9823 1513313 Enamine_000609 Cc1ccc(cc1)C(=O)CSc2nc(=O)cc(C)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L16 compound treatment 0.405 0.0125 0.46 0.398 0.00366 0.24 0.4931 0.952 1603883 Enamine_000610 OC(NC(=O)c1ccccn1)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L17 compound treatment 0.485 0.0925 3.4 0.488 0.0937 6.06 6.6887 0.9626 1725950 Enamine_000611 CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L18 compound treatment 0.423 0.0305 1.12 0.428 0.0337 2.18 2.3333 0.9524 1171448 Enamine_000612 Cc1c(O)ccc2c(=O)c(coc12)c3ccc4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L19 compound treatment 0.409 0.0165 0.61 0.408 0.0137 0.88 1.0546 0.9833 2060772 Enamine_000613 FC(F)(F)C(=O)NCSc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L20 compound treatment 0.587 0.195 7.14 0.561 0.167 10.78 12.6776 0.98 2060773 Enamine_000614 COc1ccccc1N/C=C\2/Sc3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L21 compound treatment 0.405 0.0125 0.46 0.4 0.00566 0.37 0.5847 0.9935 2060774 Enamine_000615 O=C/1CCCC\C1=C/Nc2nc(cs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L22 compound treatment 0.425 0.0325 1.2 0.431 0.0367 2.37 2.5225 0.9497 2060775 Enamine_000616 Oc1ccccc1/N=C/c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L23 mock treatment 0.402 0.00955 0.35 0.403 0.00866 0.56 0.644 0.9745 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 L24 mock treatment 0.394 0.00155 0.06 0.393 -0.00134 -0.09 -0.0213 -0.2048 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M01 compound treatment 0.401 0.00855 0.31 0.393 -0.00134 -0.09 0.1605 0.4927 2060776 Enamine_000617 OC(=O)Cc1cc(on1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M02 compound treatment 0.4 0.00755 0.28 0.409 0.0147 0.95 0.8666 0.8771 2060777 Enamine_000618 Cn1c(c2ccco2)[n+](C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M03 compound treatment 0.397 0.00455 0.17 0.399 0.00466 0.3 0.3312 0.9613 1415193 Enamine_000619 CC1CCc2ccccc2N1C(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M04 compound treatment 0.402 0.00955 0.35 0.406 0.0117 0.75 0.7813 0.9393 2060778 Enamine_000620 CNC(=O)/C=C/1\N(C)c2ccccc2C1(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M05 compound treatment 0.405 0.0125 0.46 0.403 0.00866 0.56 0.7219 0.9953 2060779 Enamine_000621 Cc1ccc(C)c(NC2=NCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M06 compound treatment 0.411 0.0185 0.68 0.406 0.0117 0.75 1.015 0.9987 1208942 Enamine_000622 CC1(C)CC(C)(c2ccccc2)c3cccc4CC(=O)N1c43 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M07 compound treatment 0.399 0.00655 0.24 0.4 0.00566 0.37 0.4289 0.9792 1678743 Enamine_000623 NC(=O)C(=C1CCCCCC1)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M08 compound treatment 0.407 0.0145 0.53 0.406 0.0117 0.75 0.9111 0.9857 1626998 Enamine_000624 CC1(C)C(CCC1(C)C(=O)O)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M09 compound treatment 0.397 0.00455 0.17 0.399 0.00466 0.3 0.3312 0.9613 2060780 Enamine_000625 Cc1ccc(NC(=O)CC2(OCCO2)C(F)(F)F)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M10 compound treatment 0.402 0.00955 0.35 0.4 0.00566 0.37 0.5068 0.9998 3048206 Enamine_000626 C[N+](C)(C)Cc1ccccc1.OC(=O)c1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M11 compound treatment 0.462 0.0695 2.55 0.454 0.0597 3.86 4.5357 0.9799 2060781 Enamine_000627 COc1ccc(NC(=O)C2C(C(=O)Nc3ccc(OC)cc3)C2=C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M12 compound treatment 0.391 -0.00145 -0.05 0.4 0.00566 0.37 0.2211 0.5978 1195895 Enamine_000628 COc1ccc2n(c(C)c(C(=O)O)c2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M13 compound treatment 0.404 0.0115 0.42 0.396 0.00166 0.11 0.3757 0.8588 1139797 Enamine_000629 CCc1ccc(OCC(=O)N2CC(C)OC(C)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M14 compound treatment 0.407 0.0145 0.53 0.399 0.00466 0.3 0.5908 0.9633 2060782 Enamine_000630 Nc1cccc(/C=C/C(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M15 compound treatment 0.437 0.0445 1.64 0.443 0.0487 3.15 3.3832 0.9535 2060783 Enamine_000631 CC(=O)N1C(=O)/C(=C\C(=O)c2ccc(C)cc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M16 compound treatment 0.398 0.00555 0.2 0.397 0.00266 0.17 0.2656 0.9964 2060784 Enamine_000632 O=C(C[n+]1cc(c2ccccc2)n3CCCc31)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M17 compound treatment 0.408 0.0155 0.57 0.401 0.00666 0.43 0.7083 0.9903 1239678 Enamine_000633 CCN1CCN(CC1)C(=O)c2ccc(I)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M18 compound treatment 0.416 0.0235 0.86 0.408 0.0137 0.88 1.2364 0.9999 1697263 Enamine_000634 CSC1=C(C#N)C2(CCCC2)C(C#N)C(=O)N1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M19 compound treatment 0.414 0.0215 0.79 0.416 0.0217 1.4 1.5505 0.9634 2060785 Enamine_000635 COc1ccc(cc1)C2SCC(=O)N2c3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M20 compound treatment 0.404 0.0115 0.42 0.408 0.0137 0.88 0.9248 0.9434 2060786 Enamine_000636 c1nc(c(s1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M21 compound treatment 0.397 0.00455 0.17 0.393 -0.00134 -0.09 0.0566 0.3007 1564874 Enamine_000637 COc1cccc(OCC(=O)NCC2CCCO2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M22 compound treatment 0.401 0.00855 0.31 0.402 0.00766 0.5 0.5723 0.9758 1568000 Enamine_000638 CN(C)c1ccc(CNc2nc3ccccc3n2CCN4CCCCC4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M23 mock treatment 0.392 -4.52E-4 -0.02 0.397 0.00266 0.17 0.1098 0.6359 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 M24 mock treatment 0.394 0.00155 0.06 0.394 -3.44E-4 -0.02 0.0245 0.4009 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N01 compound treatment 0.397 0.00455 0.17 0.39 -0.00434 -0.28 -0.0807 -0.2467 1422077 Enamine_000639 C[N+]1(Cc2cn3ccccc3n2)CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N02 compound treatment 0.392 -4.52E-4 -0.02 0.396 0.00166 0.11 0.0641 0.5907 1339471 Enamine_000640 OC(=O)c1ccccc1N(Cc2ccccc2)C(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N03 compound treatment 0.382 -0.0105 -0.38 0.382 -0.0123 -0.8 -0.8362 -0.9436 1576596 Enamine_000641 Nc1nc2ccccc2n1Cc3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N04 compound treatment 0.391 -0.00145 -0.05 0.391 -0.00334 -0.22 -0.1907 -0.8557 1691589 Enamine_000642 CCn1c(NCc2cccs2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N05 compound treatment 0.426 0.0335 1.23 0.413 0.0187 1.21 1.7248 0.9999 2060787 Enamine_000643 ClCCCC(=O)Nc1ncnc2n(ncc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N06 compound treatment 0.436 0.0435 1.6 0.441 0.0467 3.02 3.2657 0.9558 2060788 Enamine_000644 Cc1cccnc1N/C=C/2\C(=O)N(C(=O)c3ccccc23)c4ccccc4F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N07 compound treatment 0.403 0.0105 0.39 0.397 0.00266 0.17 0.3954 0.9331 1368892 Enamine_000645 Cc1ccccc1Oc2ncnc3sc4CCCCc4c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N08 compound treatment 0.398 0.00555 0.2 0.39 -0.00434 -0.28 -0.0547 -0.1575 1718640 Enamine_000646 OC(=O)c1ccccc1C(=O)N2CC(=O)Nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N09 compound treatment 0.392 -4.52E-4 -0.02 0.4 0.00566 0.37 0.2471 0.6744 1427587 Enamine_000647 COc1cc(Br)c(CC(=O)N2CCOCC2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N10 compound treatment 0.398 0.00555 0.2 0.398 0.00366 0.24 0.3114 0.9972 1475244 Enamine_000648 Cc1cc(NC(=O)COc2ccccc2)n(n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N11 compound treatment 0.406 0.0135 0.5 0.404 0.00966 0.62 0.7937 0.9936 2060789 Enamine_000649 CN1/C(=C\C=C2C(=O)c3ccccc3C2=O)/Sc4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N12 compound treatment 0.397 0.00455 0.17 0.402 0.00766 0.5 0.4684 0.8959 2060790 Enamine_000650 FC(F)(F)c1cccc(NC(=O)/C(=C\c2cccnc2)/NC(=O)c3cccs3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N13 compound treatment 0.436 0.0435 1.6 0.437 0.0427 2.76 3.0827 0.9663 2060791 Enamine_000651 FC(F)(F)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N14 compound treatment 0.394 0.00155 0.06 0.395 6.56E-4 0.04 0.0702 0.9897 2060792 Enamine_000652 CNC1=N/C(=N\C)/c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N15 compound treatment 0.403 0.0105 0.39 0.399 0.00466 0.3 0.487 0.9923 1637442 Enamine_000653 C1Cc2ncc(c3ccc4OCCOc4c3)n2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N16 compound treatment 0.4 0.00755 0.28 0.393 -0.00134 -0.09 0.1345 0.463 2060793 Enamine_000654 CC1SC(=O)N(C1=O)c2cccc(C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N17 compound treatment 0.402 0.00955 0.35 0.405 0.0107 0.69 0.7355 0.9508 1187240 Enamine_000655 O=C(N(c1ccccn1)c2ccccn2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N18 compound treatment 0.398 0.00555 0.2 0.4 0.00566 0.37 0.4029 0.9618 1339910 Enamine_000656 Fc1cc(Cl)c(cc1F)C(=O)C(C#N)c2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N19 compound treatment 0.403 0.0105 0.39 0.401 0.00666 0.43 0.5785 0.9986 2060794 Enamine_000657 FC(F)(F)C(=O)NCSc1nc2ccccc2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N20 compound treatment 0.398 0.00555 0.2 0.398 0.00366 0.24 0.3114 0.9972 1155410 Enamine_000658 CCOc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N21 compound treatment 0.402 0.00955 0.35 0.407 0.0127 0.82 0.8271 0.9283 2060795 Enamine_000659 NC(CC(=O)O)c1ccccc1C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N22 compound treatment 0.398 0.00555 0.2 0.392 -0.00234 -0.15 0.0368 0.145 2060796 Enamine_000660 O=C1CCCC(=C1)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N23 mock treatment 0.39 -0.00245 -0.09 0.393 -0.00134 -0.09 -0.1251 -0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 N24 mock treatment 0.386 -0.00645 -0.24 0.389 -0.00534 -0.35 -0.412 -0.983 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O01 compound treatment 0.38 -0.0125 -0.46 0.391 -0.00334 -0.22 -0.4763 -0.9416 1335831 Enamine_000661 Clc1ccc(NCC(=O)c2cc3ccccc3oc2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O02 compound treatment 0.402 0.00955 0.35 0.403 0.00866 0.56 0.644 0.9745 2060797 Enamine_000662 Cn1c(c2ccccn2)[n+](C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O03 compound treatment 0.384 -0.00845 -0.31 0.395 6.56E-4 0.04 -0.1894 -0.6047 2060798 Enamine_000663 CC(C)C(=O)Nc1ncc(cc1Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O04 compound treatment 0.404 0.0115 0.42 0.411 0.0167 1.08 1.062 0.9169 2060799 Enamine_000664 CN1C/C(=C\c2ccccc2F)/C(=O)\C(=C\c3ccccc3F)\C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O05 compound treatment 0.402 0.00955 0.35 0.4 0.00566 0.37 0.5068 0.9998 1666153 Enamine_000665 CC1(CCCC1)C(=O)Nc2ccc(NC(=O)C3(C)CCCC3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O06 compound treatment 0.397 0.00455 0.17 0.4 0.00566 0.37 0.3769 0.9368 2060800 Enamine_000666 CCN1CCN(CC1)C(=O)c2cc[n+]([O-])cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O07 compound treatment 0.379 -0.0135 -0.49 0.374 -0.0203 -1.32 -1.2802 -0.9104 1480394 Enamine_000667 Cc1cccc(c1)C(=O)Cc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O08 compound treatment 0.417 0.0245 0.9 0.421 0.0267 1.72 1.8572 0.9542 1486441 Enamine_000668 Cc1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O09 compound treatment 0.391 -0.00145 -0.05 0.397 0.00266 0.17 0.0839 0.4659 1259057 Enamine_000669 CNc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O10 compound treatment 0.395 0.00255 0.09 0.397 0.00266 0.17 0.1877 0.9591 2060801 Enamine_000670 N#CC(=C(Nc1ccccc1)c2ccccc2)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O11 compound treatment 0.391 -0.00145 -0.05 0.396 0.00166 0.11 0.0381 0.3182 1702551 Enamine_000671 CC(NC(=O)c1cccs1)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O12 compound treatment 0.388 -0.00445 -0.16 0.399 0.00466 0.3 0.0975 0.2843 2060802 Enamine_000672 Fc1ccc(cc1)c2nc3sc4CCCCc4c3c(=O)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O13 compound treatment 0.399 0.00655 0.24 0.391 -0.00334 -0.22 0.017 0.0527 1661874 Enamine_000673 O=C(COc1ccccc1)N2CCCC3CCCCC32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O14 compound treatment 0.438 0.0455 1.67 0.438 0.0437 2.83 3.1804 0.9687 2060803 Enamine_000674 C1CC(C=C1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O15 compound treatment 0.393 5.48E-4 0.02 0.399 0.00466 0.3 0.2273 0.7527 2060804 Enamine_000675 C1CCC(CC1)Nc2nc(c3ccccc3)[n+](s2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O16 compound treatment 0.408 0.0155 0.57 0.397 0.00266 0.17 0.5253 0.8809 1590768 Enamine_000676 CN1C(=CC(c2ccccc2)n3ncnc13)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O17 compound treatment 0.396 0.00355 0.13 0.398 0.00366 0.24 0.2594 0.9605 1388672 Enamine_000677 CCN1CCN(CC1)C(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O18 compound treatment 0.4 0.00755 0.28 0.395 6.56E-4 0.04 0.226 0.806 1498187 Enamine_000678 C1CCC2=C(C1)Nc3ncnn3C2c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O19 compound treatment 0.39 -0.00245 -0.09 0.389 -0.00534 -0.35 -0.3082 -0.8624 2060805 Enamine_000679 CCSC1=C(C#N)C(C)C(C#N)C(=O)N1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O20 compound treatment 0.399 0.00655 0.24 0.39 -0.00434 -0.28 -0.0287 -0.0776 1502514 Enamine_000680 CCN1CCN(CC1)C(=O)Cc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O21 compound treatment 0.393 5.48E-4 0.02 0.399 0.00466 0.3 0.2273 0.7527 1270508 Enamine_000681 OC(=O)c1ccccc1C(=O)c2cc(Cl)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O22 compound treatment 0.394 0.00155 0.06 0.396 0.00166 0.11 0.116 0.956 1671107 Enamine_000682 COc1ccc(NC(=O)c2ccc(O)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O23 mock treatment 0.378 -0.0145 -0.53 0.398 0.00366 0.24 -0.208 -0.3579 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 O24 mock treatment 0.391 -0.00145 -0.05 0.39 -0.00434 -0.28 -0.2365 -0.8265 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P01 compound treatment 0.398 0.00555 0.2 0.372 -0.0223 -1.45 -0.8783 -0.6015 2060806 Enamine_000683 CN(C)C(=O)n1nc2-c3ccccc3C(=O)c4cccc1c24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P02 compound treatment 0.393 5.48E-4 0.02 0.397 0.00266 0.17 0.1358 0.7846 1287089 Enamine_000684 OC(=O)c1ccccc1NCc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P03 compound treatment 0.395 0.00255 0.09 0.395 6.56E-4 0.04 0.0962 0.9361 1494283 Enamine_000685 CCC(C)CNC(=O)c1ccc(OC)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P04 compound treatment 0.398 0.00555 0.2 0.406 0.0117 0.75 0.6774 0.867 2060807 Enamine_000686 O=C(NCCCn1ccnc1)c2cn(nc2c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P05 compound treatment 0.391 -0.00145 -0.05 0.391 -0.00334 -0.22 -0.1907 -0.8557 1728248 Enamine_000687 Cc1ccc(Cn2c(N)nc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P06 compound treatment 0.397 0.00455 0.17 0.402 0.00766 0.5 0.4684 0.8959 2060808 Enamine_000688 Cc1cc(N/C=C/2\CCCCC2=O)no1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P07 compound treatment 0.397 0.00455 0.17 0.4 0.00566 0.37 0.3769 0.9368 1506446 Enamine_000689 Cc1cc(C)cc(OCC(O)CNC(C)(C)C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P08 compound treatment 0.398 0.00555 0.2 0.401 0.00666 0.43 0.4486 0.9416 1640910 Enamine_000690 COc1ccc(NC2(CCCCC2)C(=O)N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P09 compound treatment 0.457 0.0645 2.37 0.463 0.0687 4.44 4.8177 0.9567 2060809 Enamine_000691 CC(C)Cc1csc(NC(=O)/C=C/c2ccccc2)c1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P10 compound treatment 0.39 -0.00245 -0.09 0.395 6.56E-4 0.04 -0.0336 -0.3379 1199030 Enamine_000692 CN(C)c1cccc(NC(=O)c2ccncc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P11 compound treatment 0.407 0.0145 0.53 0.413 0.0187 1.21 1.2314 0.9328 1615580 Enamine_000693 CCN1C(=O)c2cccc3c(NC(=O)C4CCCCC4)ccc1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P12 compound treatment 0.395 0.00255 0.09 0.393 -0.00134 -0.09 0.0047 0.0367 1477710 Enamine_000694 Cc1ccc(cc1)C(=O)Oc2ccc3n(C)cnc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P13 compound treatment 0.417 0.0245 0.9 0.426 0.0317 2.05 2.086 0.932 2060810 Enamine_000695 Cc1cc(OC(=O)c2ccc(Br)cc2)no1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P14 compound treatment 0.394 0.00155 0.06 0.397 0.00266 0.17 0.1618 0.8934 1176285 Enamine_000696 O=C(Nc1nccs1)C2CC3CCCC(C2)C3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P15 compound treatment 0.401 0.00855 0.31 0.398 0.00366 0.24 0.3893 0.9903 2060811 Enamine_000697 Cn1c(CO)nc2cc(/N=C/c3ccccc3O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P16 compound treatment 0.396 0.00355 0.13 0.39 -0.00434 -0.28 -0.1066 -0.3441 1584077 Enamine_000698 CC(C(O)c1ccccc1)N(C)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P17 compound treatment 0.4 0.00755 0.28 0.399 0.00466 0.3 0.4091 0.9991 1109084 Enamine_000699 CCOC(=O)c1c(C)cc2ccccn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P18 compound treatment 0.414 0.0215 0.79 0.408 0.0137 0.88 1.1844 0.9985 1505629 Enamine_000700 N#Cc1nc(oc1NCc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P19 compound treatment 0.403 0.0105 0.39 0.398 0.00366 0.24 0.4412 0.972 1315152 Enamine_000701 O=C(NC1C2CC3CC(C2)CC1C3)C4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P20 compound treatment 0.397 0.00455 0.17 0.393 -0.00134 -0.09 0.0566 0.3007 1449715 Enamine_000702 CN1CCC2C(C1)c3cc(C)ccc3N2C(=O)COc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P21 compound treatment 0.401 0.00855 0.31 0.401 0.00666 0.43 0.5265 0.9879 1534526 Enamine_000703 Clc1ccc(cc1Cl)C(=O)N(c2ccccn2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P22 compound treatment 0.388 -0.00445 -0.16 0.394 -3.44E-4 -0.02 -0.1313 -0.796 1261225 Enamine_000704 CCOc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P23 mock treatment 0.397 0.00455 0.17 0.391 -0.00334 -0.22 -0.0349 -0.1277 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1395 P24 mock treatment 0.382 -0.0105 -0.38 0.398 0.00366 0.24 -0.1041 -0.2309 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A01 compound treatment 0.394 0.00106 0.04 0.394 0.00206 0.13 0.122 0.8771 2060812 Enamine_000705 COc1ccc(/N=C/c2sc3ccccc3c2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A02 compound treatment 0.4 0.00706 0.26 0.387 -0.00494 -0.32 -0.0425 -0.1034 2060813 Enamine_000706 Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2/N=C/c3ccc[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A03 compound treatment 0.392 -9.37E-4 -0.03 0.383 -0.00894 -0.58 -0.4333 -0.7479 2060814 Enamine_000707 CCCn1c(/N=C/c2ccccc2Cl)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A04 compound treatment 0.392 -9.37E-4 -0.03 0.381 -0.0109 -0.71 -0.5248 -0.7406 1087929 Enamine_000708 OC(Cc1nc2ccccc2[nH]1)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A05 compound treatment 0.4 0.00706 0.26 0.397 0.00506 0.33 0.415 0.9933 1208998 Enamine_000709 CC1CC(=CC(C)C1C[N+]2(C)CCCCC2)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A06 compound treatment 0.386 -0.00694 -0.25 0.375 -0.0169 -1.1 -0.9552 -0.8488 2060815 Enamine_000710 CN1CCN(CC1)C(=O)c2c(Cl)nc3sccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A07 compound treatment 0.38 -0.0129 -0.48 0.383 -0.00894 -0.58 -0.7449 -0.9952 1542872 Enamine_000711 CCN1CCN(CC1)C(=O)c2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A08 compound treatment 0.378 -0.0149 -0.55 0.383 -0.00894 -0.58 -0.7968 -0.9996 2060816 Enamine_000712 CCc1cc(=O)oc2cc(O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A09 compound treatment 0.392 -9.37E-4 -0.03 0.389 -0.00294 -0.19 -0.1588 -0.8218 1234231 Enamine_000713 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A10 compound treatment 0.396 0.00306 0.11 0.387 -0.00494 -0.32 -0.1464 -0.4322 2060817 Enamine_000714 FC(F)(F)c1cccc(/C=C/C(=O)NCc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A11 compound treatment 0.379 -0.0139 -0.51 0.378 -0.0139 -0.9 -0.9997 -0.964 1709968 Enamine_000715 CCn1c2ccccc2c3cc(ccc13)C4C(=C(C)NC(=C4C#N)C)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A12 compound treatment 0.407 0.0141 0.52 0.395 0.00306 0.2 0.5053 0.9135 2060818 Enamine_000716 Clc1ccccc1N2C(=O)/C(=C\NCc3ccncc3)/c4ccccc4C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A13 compound treatment 0.386 -0.00694 -0.25 0.381 -0.0109 -0.71 -0.6806 -0.9048 1657513 Enamine_000717 CC(C)C1OCCN1CC2C(C)CC(=CC2C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A14 compound treatment 0.391 -0.00194 -0.07 0.393 0.00106 0.07 -0.0017 -0.0171 2060819 Enamine_000718 CCN(CC)C(=O)/C=C/c1cccs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A15 compound treatment 0.387 -0.00594 -0.22 0.38 -0.0119 -0.77 -0.7004 -0.8726 1426026 Enamine_000719 CC1(CCCC1)C(=O)Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A16 compound treatment 0.398 0.00506 0.19 0.399 0.00706 0.46 0.4546 0.9214 1167158 Enamine_000720 COc1ccc2N(C(=O)C)S(=O)(=O)c3ccccc3-c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A17 compound treatment 0.388 -0.00494 -0.18 0.373 -0.0189 -1.23 -0.9948 -0.803 1253776 Enamine_000721 O=C(N1CCCC1)c2ccccc2C(=O)c3ncc[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A18 compound treatment 0.393 6.25E-5 0.0 0.381 -0.0109 -0.71 -0.4989 -0.7048 2060820 Enamine_000722 OC(c1ccc(NC(=O)CCCCl)cc1)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A19 compound treatment 0.386 -0.00694 -0.25 0.369 -0.0229 -1.48 -1.2297 -0.8165 1525553 Enamine_000723 CC1CN(CC(C)O1)c2nnc(c3ccccc3)c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A20 compound treatment 0.39 -0.00294 -0.11 0.389 -0.00294 -0.19 -0.2107 -0.964 1125493 Enamine_000724 CC(C)(CN1CCc2ccccc2C1)NS(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A21 compound treatment 0.389 -0.00394 -0.14 0.387 -0.00494 -0.32 -0.3282 -0.9357 2060821 Enamine_000725 [O-][n+]1ccc(cc1)C(=O)N2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A22 compound treatment 0.387 -0.00594 -0.22 0.385 -0.00694 -0.45 -0.4716 -0.945 1181581 Enamine_000726 O=C(NCC1CCCO1)c2cc3sc4ccccc4c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A23 mock treatment 0.39 -0.00294 -0.11 0.392 6.25E-5 0.0 -0.0734 -0.6801 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 A24 mock treatment 0.387 -0.00594 -0.22 0.376 -0.0159 -1.03 -0.8834 -0.8381 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B01 compound treatment 0.414 0.0211 0.77 0.402 0.0101 0.65 1.0074 0.9963 2060822 Enamine_000727 O=C(NCCCN1CCOCC1)c2cc3CCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B02 compound treatment 0.403 0.0101 0.37 0.4 0.00806 0.52 0.6302 0.9857 1672768 Enamine_000728 CN(C1CCN(C)CC1)C(=O)c2cc3sc4ccccc4c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B03 compound treatment 0.411 0.0181 0.66 0.41 0.0181 1.17 1.2955 0.964 1482499 Enamine_000729 Fc1ccc(cc1)C(CNC(=O)c2ccc(Br)o2)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B04 compound treatment 0.405 0.0121 0.44 0.404 0.0121 0.78 0.8652 0.964 2060823 Enamine_000730 CN(C)NC1=CC(=[N+]2CCCCC2)CC(C)(C)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B05 compound treatment 0.408 0.0151 0.55 0.405 0.0131 0.85 0.9888 0.9789 1330330 Enamine_000731 CN(C1CCCCC1)C(=O)c2nc3ccccc3nc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B06 compound treatment 0.398 0.00506 0.19 0.4 0.00806 0.52 0.5004 0.9034 1494802 Enamine_000732 Cc1c(CCC#N)n2ccccc2c1C(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B07 compound treatment 0.406 0.0131 0.48 0.407 0.0151 0.97 1.0284 0.9467 1921239 Enamine_000733 Cc1cc(C)n(n1)c2ccc3nncn3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B08 compound treatment 0.421 0.0281 1.03 0.42 0.0281 1.82 2.0128 0.964 2060824 Enamine_000734 COc1ccc2CC(=O)N(C)C(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B09 compound treatment 0.414 0.0211 0.77 0.408 0.0161 1.04 1.2819 0.9894 1002501 Enamine_000735 OC1(CCCCC1)C2(O)CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B10 compound treatment 0.404 0.0111 0.41 0.403 0.0111 0.72 0.7935 0.964 1198997 Enamine_000736 CC1(C)C(=O)N(C(=O)c2ccccc21)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B11 compound treatment 0.413 0.0201 0.74 0.409 0.0171 1.1 1.3017 0.9807 2060825 Enamine_000737 CCn1c(/N=C(\C)/c2cc(Cl)ccc2O)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B12 compound treatment 0.371 -0.0219 -0.81 0.366 -0.0259 -1.68 -1.7565 -0.9434 1033101 Enamine_000738 COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B13 compound treatment 0.404 0.0111 0.41 0.41 0.0181 1.17 1.1138 0.9001 1472254 Enamine_000739 CCCn1c(nc2ccccc12)C(O)c3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B14 compound treatment 0.411 0.0181 0.66 0.416 0.0241 1.56 1.5701 0.9277 1172539 Enamine_000740 Cc1n(c(C)c2c(C)nnc(C)c12)c3ccccc3N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B15 compound treatment 0.404 0.0111 0.41 0.407 0.0151 0.97 0.9765 0.9247 1572153 Enamine_000741 Cn1ccnc1C(O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B16 compound treatment 0.405 0.0121 0.44 0.407 0.0151 0.97 1.0025 0.9363 1010347 Enamine_000742 CCNc1cccc(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B17 compound treatment 0.406 0.0131 0.48 0.405 0.0131 0.85 0.9369 0.964 1316448 Enamine_000743 CN(C)CC1CCCCC1OC(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B18 compound treatment 0.416 0.0231 0.85 0.435 0.0431 2.79 2.5693 0.8822 2060826 Enamine_000744 CSC(=S)n1c2ccccc2c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B19 compound treatment 0.402 0.00906 0.33 0.406 0.0141 0.91 0.8788 0.907 1549036 Enamine_000745 Cc1nn2c(nc3ccccc32)n1CCN4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B20 compound treatment 0.4 0.00706 0.26 0.403 0.0111 0.72 0.6896 0.9057 2060827 Enamine_000746 Cn1c(CC#N)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B21 compound treatment 0.409 0.0161 0.59 0.412 0.0201 1.3 1.3351 0.9363 1699298 Enamine_000747 OC(=O)CN1C(=O)c2cccc3c(Cl)cc(Cl)c1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B22 compound treatment 0.396 0.00306 0.11 0.399 0.00706 0.46 0.4027 0.8556 1139786 Enamine_000748 O=C1Cc2ccccc2C(=O)N1Cc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B23 mock treatment 0.399 0.00606 0.22 0.395 0.00306 0.2 0.2976 0.9983 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 B24 mock treatment 0.398 0.00506 0.19 0.397 0.00506 0.33 0.3631 0.964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C01 compound treatment 0.42 0.0271 0.99 0.426 0.0341 2.2 2.2614 0.9352 2060828 Enamine_000749 O=C1/C(=C\Nc2ccccc2)/Sc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C02 compound treatment 0.382 -0.0109 -0.4 0.381 -0.0109 -0.71 -0.7845 -0.964 2060829 Enamine_000750 C1CCCC(=Nn2cnnc2)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C03 compound treatment 0.427 0.0341 1.25 0.423 0.0311 2.01 2.3058 0.9739 1664233 Enamine_000751 CCOC(=O)c1c(C)n(CC)c2ccc(O)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C04 compound treatment 0.38 -0.0129 -0.48 0.381 -0.0109 -0.71 -0.8364 -0.9812 1920971 Enamine_000752 CCc1cc2c(ncnc2s1)n3nc(C)cc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C05 compound treatment 0.378 -0.0149 -0.55 0.378 -0.0139 -0.9 -1.0256 -0.9716 2060830 Enamine_000753 CC(C)/C=C/1\CCCCC1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C06 compound treatment 0.38 -0.0129 -0.48 0.383 -0.00894 -0.58 -0.7449 -0.9952 1623809 Enamine_000754 CN(CC(O)COCc1ccccc1F)C2CCN(C)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C07 compound treatment 0.383 -0.00994 -0.36 0.382 -0.00994 -0.64 -0.7128 -0.964 2060831 Enamine_000755 O=C1CCCC(=O)C1CC2C(=O)CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C08 compound treatment 0.396 0.00306 0.11 0.438 0.0461 2.98 2.1873 0.7333 2060832 Enamine_000756 O=c1c(=Cc2ccccc2)sc3nncn13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C09 compound treatment 0.385 -0.00794 -0.29 0.379 -0.0129 -0.84 -0.7981 -0.9003 2060833 Enamine_000757 Cc1nc(cs1)C(C#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C10 compound treatment 0.384 -0.00894 -0.33 0.385 -0.00694 -0.45 -0.5495 -0.9881 1360737 Enamine_000758 CC(NC(=O)C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C11 compound treatment 0.38 -0.0129 -0.48 0.385 -0.00694 -0.45 -0.6534 -0.9996 2060834 Enamine_000759 O=C(/C=C/c1cccs1)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C12 compound treatment 0.423 0.0301 1.1 0.43 0.0381 2.46 2.5223 0.9345 1549343 Enamine_000760 CC(C)Cc1csc(NC(=O)c2ccccc2C)c1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C13 compound treatment 0.381 -0.0119 -0.44 0.403 0.0111 0.72 0.1962 0.2338 2060835 Enamine_000761 CN1CCN(CC1)C(=O)CCCCl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C14 compound treatment 0.384 -0.00894 -0.33 0.38 -0.0119 -0.77 -0.7783 -0.9273 1105591 Enamine_000762 Cc1csc2nc(cn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C15 compound treatment 0.385 -0.00794 -0.29 0.378 -0.0139 -0.9 -0.8439 -0.8903 2060836 Enamine_000763 COC(=O)C1C(CC(C)C)CC(=O)C=C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C16 compound treatment 0.387 -0.00594 -0.22 0.393 0.00106 0.07 -0.1056 -0.4617 2060837 Enamine_000764 CCCCN1CCC1C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C17 compound treatment 0.493 0.1 3.67 0.489 0.0971 6.28 7.0397 0.9674 1543730 Enamine_000765 O=C(Nc1nccs1)c2cc(nc3ccccc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C18 compound treatment 0.369 -0.0239 -0.88 0.371 -0.0209 -1.35 -1.5796 -0.9781 1422104 Enamine_000766 OC(COc1ccc(Br)cc1Br)C[N+]2(Cc3ccccc3)CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C19 compound treatment 0.382 -0.0109 -0.4 0.38 -0.0119 -0.77 -0.8302 -0.9536 2060838 Enamine_000767 CCC(CO)NC(=O)c1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C20 compound treatment 0.384 -0.00894 -0.33 0.384 -0.00794 -0.51 -0.5953 -0.9766 1705724 Enamine_000768 CCN(CC)S(=O)(=O)c1cccc(c1)c2nc3ccccc3n2c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C21 compound treatment 0.386 -0.00694 -0.25 0.388 -0.00394 -0.25 -0.3603 -1.0 1382332 Enamine_000769 COc1ccc(CC(=O)c2ccccc2C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C22 compound treatment 0.379 -0.0139 -0.51 0.381 -0.0109 -0.71 -0.8624 -0.9873 2060839 Enamine_000770 CC(C)c1cccc(C(C)C)c1NC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C23 mock treatment 0.375 -0.0179 -0.66 0.373 -0.0189 -1.23 -1.3323 -0.9576 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 C24 mock treatment 0.38 -0.0129 -0.48 0.377 -0.0149 -0.97 -1.0195 -0.9465 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D01 compound treatment 0.403 0.0101 0.37 0.401 0.00906 0.59 0.676 0.9752 1572295 Enamine_000771 C(Cc1nnc2CCCCCn12)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D02 compound treatment 0.395 0.00206 0.08 0.397 0.00506 0.33 0.2852 0.8482 2060840 Enamine_000772 O=C1S/C(=C/c2ccccc2)/C(=O)N1CCOc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D03 compound treatment 0.4 0.00706 0.26 0.398 0.00606 0.39 0.4608 0.9798 1711319 Enamine_000773 CN1CCN(CC1)C(=O)c2c(C)onc2c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D04 compound treatment 0.403 0.0101 0.37 0.402 0.0101 0.65 0.7217 0.964 2060841 Enamine_000774 O=C1CCC/C(=N/Cc2ccco2)/C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D05 compound treatment 0.426 0.0331 1.21 0.416 0.0241 1.56 1.9596 0.9924 2060842 Enamine_000775 Cc1ccc(C)n1CC(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D06 compound treatment 0.413 0.0201 0.74 0.406 0.0141 0.91 1.1644 0.9945 1521034 Enamine_000776 O=c1c(=Cc2ccco2)sc3nc4ccccc4n13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D07 compound treatment 0.397 0.00406 0.15 0.402 0.0101 0.65 0.5659 0.8472 1367492 Enamine_000777 CCN1CCN(Cc2cccc3cccnc23)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D08 compound treatment 0.408 0.0151 0.55 0.401 0.00906 0.59 0.8058 0.9996 1141872 Enamine_000778 CNC(=O)C1(CCC2(C)C(=O)C1)C2(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D09 compound treatment 0.401 0.00806 0.3 0.393 0.00106 0.07 0.258 0.8487 1604036 Enamine_000779 CCOc1ccc(cc1)C(O)c2nc3ccccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D10 compound treatment 0.397 0.00406 0.15 0.395 0.00306 0.2 0.2456 0.9902 2060843 Enamine_000780 CCO/C=C/1\C(=O)N(C)C(=O)c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D11 compound treatment 0.402 0.00906 0.33 0.404 0.0121 0.78 0.7873 0.9278 1497905 Enamine_000781 CCOC(=O)C1=C(C)NC(=O)CC1c2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D12 compound treatment 0.398 0.00506 0.19 0.397 0.00506 0.33 0.3631 0.964 1719763 Enamine_000782 Nc1ccccc1N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D13 compound treatment 0.393 6.25E-5 0.0 0.394 0.00206 0.13 0.096 0.7192 2060844 Enamine_000783 O=C(/C=C/c1cccs1)N2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D14 compound treatment 0.44 0.0471 1.73 0.428 0.0361 2.33 2.8722 0.9891 2060845 Enamine_000784 CN(C)c1ccc(/C=N/n2cnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D15 compound treatment 0.396 0.00306 0.11 0.4 0.00806 0.52 0.4484 0.8402 1695484 Enamine_000785 CN1CCC2C(C1)c3cc(C)ccc3N2S(=O)(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D16 compound treatment 0.401 0.00806 0.3 0.402 0.0101 0.65 0.6698 0.9364 2060846 Enamine_000786 CCN(CC)S(=O)(=O)c1ccc(O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D17 compound treatment 0.415 0.0221 0.81 0.416 0.0241 1.56 1.6739 0.9537 2060847 Enamine_000787 Fc1cc(C(=O)OCC2COc3ccccc3O2)c(F)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D18 compound treatment 0.412 0.0191 0.7 0.413 0.0211 1.36 1.4588 0.952 1207004 Enamine_000788 C=CCNC(=O)C1CC2CCCC(C1)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D19 compound treatment 0.39 -0.00294 -0.11 0.392 6.25E-5 0.0 -0.0734 -0.6801 1727850 Enamine_000789 COc1cc(C(=O)Nc2cccc(O)c2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D20 compound treatment 0.393 6.25E-5 0.0 0.387 -0.00494 -0.32 -0.2243 -0.702 1175313 Enamine_000790 O=C(NC1CCCCC1)Oc2ccccc2c3nnc4CCCCCn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D21 compound treatment 0.402 0.00906 0.33 0.403 0.0111 0.72 0.7415 0.9393 1186910 Enamine_000791 COc1ccccc1NC(=O)c2ccc(N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D22 compound treatment 0.397 0.00406 0.15 0.396 0.00406 0.26 0.2914 0.964 2060848 Enamine_000792 CCc1ccc(cc1)c2nn(cc2/C=C\C(=O)O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D23 mock treatment 0.397 0.00406 0.15 0.393 0.00106 0.07 0.1541 0.9382 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 D24 mock treatment 0.389 -0.00394 -0.14 0.393 0.00106 0.07 -0.0536 -0.3349 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E01 compound treatment 0.464 0.0711 2.61 0.458 0.0661 4.28 4.8681 0.972 2060849 Enamine_000793 CN(N/C=C\1/Sc2ccccc2C1=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E02 compound treatment 0.4 0.00706 0.26 0.402 0.0101 0.65 0.6438 0.9186 1215064 Enamine_000794 Nc1ccccc1N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E03 compound treatment 0.403 0.0101 0.37 0.4 0.00806 0.52 0.6302 0.9857 2060850 Enamine_000795 CN(C)c1ccc(/C=N/c2ccc3n(cnc3c2)C(C)(C)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E04 compound treatment 0.44 0.0471 1.73 0.441 0.0491 3.17 3.4671 0.9591 2060851 Enamine_000796 N#CC(=C(C#N)c1ccc(Nc2ccccc2)cc1)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E05 compound treatment 0.41 0.0171 0.63 0.409 0.0171 1.1 1.2238 0.964 1682231 Enamine_000797 CC(N(C(=O)c1cccnc1Cl)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E06 compound treatment 0.402 0.00906 0.33 0.4 0.00806 0.52 0.6042 0.9764 1715982 Enamine_000798 Clc1nc2sccn2c1C(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E07 compound treatment 0.396 0.00306 0.11 0.401 0.00906 0.59 0.4942 0.8276 2060852 Enamine_000799 O=C(NCCCN1CCOCC1)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E08 compound treatment 0.406 0.0131 0.48 0.418 0.0261 1.69 1.5318 0.8736 2060853 Enamine_000800 CC(N(C(=O)/C=C/c1cccs1)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E09 compound treatment 0.395 0.00206 0.08 0.398 0.00606 0.39 0.331 0.8283 1348741 Enamine_000801 OC(COc1ccc(Cl)cc1)CN2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E10 compound treatment 0.453 0.0601 2.21 0.454 0.0621 4.02 4.3995 0.9602 1361734 Enamine_000802 CCOC(=O)c1cc(CC)sc1NC(=O)C#Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E11 compound treatment 0.396 0.00306 0.11 0.395 0.00306 0.2 0.2197 0.964 1335894 Enamine_000803 COC(=O)CC1(C)OCC2(CCC(=CC2)C)CO1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E12 compound treatment 0.412 0.0191 0.7 0.411 0.0191 1.23 1.3672 0.964 2060854 Enamine_000804 O=C/1CCCC\C1=C\NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E13 compound treatment 0.392 -9.37E-4 -0.03 0.393 0.00106 0.07 0.0243 0.3157 1722201 Enamine_000805 CC1(C)CC(=O)C(C(=O)C1)c2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E14 compound treatment 0.396 0.00306 0.11 0.397 0.00506 0.33 0.3112 0.8984 2060855 Enamine_000806 CC(N/C=C\1/CCCCC1=O)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E15 compound treatment 0.399 0.00606 0.22 0.397 0.00506 0.33 0.3891 0.9823 1435511 Enamine_000807 Clc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E16 compound treatment 0.41 0.0171 0.63 0.404 0.0121 0.78 0.995 0.9941 2060856 Enamine_000808 COC(=O)C1CCN1C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E17 compound treatment 0.434 0.0411 1.51 0.44 0.0481 3.11 3.2655 0.9447 1264928 Enamine_000809 Nc1cccc2cccc(C(=O)O)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E18 compound treatment 0.411 0.0181 0.66 0.411 0.0191 1.23 1.3413 0.9577 1609174 Enamine_000810 OC(COCc1ccccc1F)CN2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E19 compound treatment 0.396 0.00306 0.11 0.402 0.0101 0.65 0.54 0.8171 1651981 Enamine_000811 CCc1ncc(C(O)c2ccc(OC)cc2)n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E20 compound treatment 0.475 0.0821 3.01 0.478 0.0861 5.57 6.0689 0.9584 2060857 Enamine_000812 FC(F)(F)c1cccc(NC(=O)/C=C/c2cccs2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E21 compound treatment 0.4 0.00706 0.26 0.398 0.00606 0.39 0.4608 0.9798 2060858 Enamine_000813 OC(=O)/C=C/C(=O)N(Cc1ccco1)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E22 compound treatment 0.413 0.0201 0.74 0.417 0.0251 1.62 1.6678 0.9362 2060859 Enamine_000814 Cc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E23 mock treatment 0.393 6.25E-5 0.0 0.394 0.00206 0.13 0.096 0.7192 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 E24 mock treatment 0.391 -0.00194 -0.07 0.392 6.25E-5 0.0 -0.0475 -0.6658 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F01 compound treatment 0.404 0.0111 0.41 0.406 0.0141 0.91 0.9307 0.9339 1637993 Enamine_000815 CCC(CO)NC(=O)c1cc2cc(Br)cc(Br)c2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F02 compound treatment 0.402 0.00906 0.33 0.399 0.00706 0.46 0.5585 0.9879 2060860 Enamine_000816 Clc1nc2sccn2c1/C=N/n3cnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F03 compound treatment 0.406 0.0131 0.48 0.407 0.0151 0.97 1.0284 0.9467 2060861 Enamine_000817 Cc1onc(c1C(=O)NCC2CCCO2)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F04 compound treatment 0.403 0.0101 0.37 0.402 0.0101 0.65 0.7217 0.964 1610262 Enamine_000818 CC(C)(C)N1CC(C1)OC(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F05 compound treatment 0.407 0.0141 0.52 0.401 0.00906 0.59 0.7798 0.998 2060862 Enamine_000819 COc1ccc(CCC(C(O)C(F)(F)F)S(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F06 compound treatment 0.521 0.128 4.7 0.506 0.114 7.38 8.5446 0.9763 1434713 Enamine_000820 Clc1ccc(cc1)C2C(=C(NC3=C2C(=O)CCC3)SCc4ccccc4)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F07 compound treatment 0.463 0.0701 2.57 0.456 0.0641 4.15 4.7507 0.9737 2060863 Enamine_000821 Cc1cccc(CC2S/C(=N\c3ccc(Br)cc3)/NC2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F08 compound treatment 0.411 0.0181 0.66 0.409 0.0171 1.1 1.2498 0.9703 2060864 Enamine_000822 Cc1n[nH]c(C)c1Sc2nc(C)cc(C)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F09 compound treatment 0.416 0.0231 0.85 0.413 0.0211 1.36 1.5626 0.9738 1441204 Enamine_000823 O=C(N1CCOCC1)c2cc(nc3ccccc23)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F10 compound treatment 0.427 0.0341 1.25 0.426 0.0341 2.2 2.4431 0.964 2060865 Enamine_000824 CCO/C=C/1\C(=O)N(C(=O)c2cc(OC)ccc12)c3ccc(C)cc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F11 compound treatment 0.407 0.0141 0.52 0.405 0.0131 0.85 0.9629 0.972 2060866 Enamine_000825 Clc1ccc(cc1)c2csc3SCC[n+]23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F12 compound treatment 0.444 0.0511 1.88 0.439 0.0471 3.05 3.4794 0.9729 1196339 Enamine_000826 Nc1ccc(cc1)C2(CCCCC2)c3ccc(N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F13 compound treatment 0.408 0.0151 0.55 0.409 0.0171 1.1 1.1719 0.9489 2060867 Enamine_000827 O=C(Cc1cccs1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F14 compound treatment 0.41 0.0171 0.63 0.411 0.0191 1.23 1.3153 0.9507 2060868 Enamine_000828 CC(=O)Nn1cnc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F15 compound treatment 0.409 0.0161 0.59 0.412 0.0201 1.3 1.3351 0.9363 1252298 Enamine_000829 N#CC1(CCCC1)N2CCN(CC2)C3(CCCC3)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F16 compound treatment 0.414 0.0211 0.77 0.41 0.0181 1.17 1.3734 0.9799 1369238 Enamine_000830 CCC(C)NC(=O)CC1(CC2CC3C1)CC(CC(=O)NC(C)CC)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F17 compound treatment 0.457 0.0641 2.35 0.457 0.0651 4.21 4.6406 0.9622 1608546 Enamine_000831 COc1ccc(cc1)c2csc(NC(=O)C3CCCCC3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F18 compound treatment 0.42 0.0271 0.99 0.422 0.0301 1.95 2.0783 0.9514 2060869 Enamine_000832 CC(C)(C)NC(=O)C1CC2CCCC(C1)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F19 compound treatment 0.408 0.0151 0.55 0.41 0.0181 1.17 1.2176 0.9416 1236576 Enamine_000833 CCN(CC)C(=O)Cc1cc(OC)c(OC)cc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F20 compound treatment 0.403 0.0101 0.37 0.402 0.0101 0.65 0.7217 0.964 2060870 Enamine_000834 O=C(NCCCN1CCOCC1)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F21 compound treatment 0.403 0.0101 0.37 0.408 0.0161 1.04 0.9963 0.9031 2060871 Enamine_000835 Nc1cccc(c1)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F22 compound treatment 0.406 0.0131 0.48 0.406 0.0141 0.91 0.9827 0.9553 2060872 Enamine_000836 O/N=C\c1cn(nc1c2ccc(Br)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F23 mock treatment 0.396 0.00306 0.11 0.402 0.0101 0.65 0.54 0.8171 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 F24 mock treatment 0.402 0.00906 0.33 0.401 0.00906 0.59 0.65 0.964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G01 compound treatment 0.39 -0.00294 -0.11 0.386 -0.00594 -0.38 -0.348 -0.8719 2060873 Enamine_000837 CCC(=O)Oc1ccc(cc1OC)C(=O)CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G02 compound treatment 0.402 0.00906 0.33 0.403 0.0111 0.72 0.7415 0.9393 2060874 Enamine_000838 COc1ccc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G03 compound treatment 0.399 0.00606 0.22 0.393 0.00106 0.07 0.206 0.8843 1671284 Enamine_000839 COc1ccc2n(C)c(SCC(C)O)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G04 compound treatment 0.405 0.0121 0.44 0.4 0.00806 0.52 0.6821 0.9967 2060875 Enamine_000840 CC(C)(C)c1ccc(cc1)C(=O)N/C(=C/c2cccs2)/C(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G05 compound treatment 0.398 0.00506 0.19 0.401 0.00906 0.59 0.5461 0.8877 1514551 Enamine_000841 COc1ccc(cc1)C(=O)NCCC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G06 compound treatment 0.404 0.0111 0.41 0.408 0.0161 1.04 1.0222 0.916 2060876 Enamine_000842 Clc1nc2sccn2c1C(=O)N3CCN(Cc4ccccc4)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G07 compound treatment 0.403 0.0101 0.37 0.399 0.00706 0.46 0.5845 0.9944 1393628 Enamine_000843 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G08 compound treatment 0.406 0.0131 0.48 0.404 0.0121 0.78 0.8911 0.9727 1639032 Enamine_000844 O=C1c2ncn(Cc3ccccc3)c2C(=O)c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G09 compound treatment 0.398 0.00506 0.19 0.394 0.00206 0.13 0.2258 0.9868 1733097 Enamine_000845 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G10 compound treatment 0.407 0.0141 0.52 0.407 0.0151 0.97 1.0544 0.9559 1391765 Enamine_000846 O=C(Nc1ccccc1)c2ccc(cc2)N3C(=O)CCC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G11 compound treatment 0.397 0.00406 0.15 0.396 0.00406 0.26 0.2914 0.964 2060877 Enamine_000847 CC(=CCC/C(=N\n1cnnc1)/C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G12 compound treatment 0.411 0.0181 0.66 0.406 0.0141 0.91 1.1125 0.9879 2060878 Enamine_000848 COc1ccc(/C=C/C(=O)OC2CCCCC2CN(C)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G13 compound treatment 0.396 0.00306 0.11 0.396 0.00406 0.26 0.2654 0.9282 2060879 Enamine_000849 C=CC(=O)NCC(N1CCOCC1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G14 compound treatment 0.428 0.0351 1.29 0.422 0.0301 1.95 2.2861 0.9799 2060880 Enamine_000850 Clc1ccc(N/C=C/2\CCCCC2=O)nc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G15 compound treatment 0.394 0.00106 0.04 0.394 0.00206 0.13 0.122 0.8771 1090894 Enamine_000851 OC(=O)CC1(CC2CC3CC(O)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G16 compound treatment 0.401 0.00806 0.3 0.402 0.0101 0.65 0.6698 0.9364 1241543 Enamine_000852 CC(C)(C)NC(=O)c1ccc(s1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G17 compound treatment 0.405 0.0121 0.44 0.41 0.0181 1.17 1.1397 0.9118 1281528 Enamine_000853 CN(C)CC(C)(C)NS(=O)(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G18 compound treatment 0.499 0.106 3.89 0.518 0.126 8.16 8.5224 0.9428 1155336 Enamine_000854 Cc1c(CCC#N)n2ccccc2c1C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G19 compound treatment 0.394 0.00106 0.04 0.394 0.00206 0.13 0.122 0.8771 2060881 Enamine_000855 CC(C)c1ncc(C(O)c2ccccc2)n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G20 compound treatment 0.399 0.00606 0.22 0.4 0.00806 0.52 0.5263 0.9279 1694506 Enamine_000856 Cc1cc(=O)cc(C)n1c2ccc(F)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G21 compound treatment 0.396 0.00306 0.11 0.397 0.00506 0.33 0.3112 0.8984 2060882 Enamine_000857 COC(=O)CCC/1CCCC\C1=N\O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G22 compound treatment 0.422 0.0291 1.07 0.429 0.0371 2.4 2.4506 0.9335 2060883 Enamine_000858 Brc1ccc(/C=C/C(=O)Nc2nccs2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G23 mock treatment 0.393 6.25E-5 0.0 0.395 0.00306 0.2 0.1418 0.7152 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 G24 mock treatment 0.396 0.00306 0.11 0.395 0.00306 0.2 0.2197 0.964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H01 compound treatment 0.399 0.00606 0.22 0.399 0.00706 0.46 0.4806 0.9454 2060884 Enamine_000859 CN1CCC2C(C1)c3cc(C)ccc3N2C(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H02 compound treatment 0.401 0.00806 0.3 0.4 0.00806 0.52 0.5783 0.964 2060885 Enamine_000860 Cc1cc(C)nc(n1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H03 compound treatment 0.398 0.00506 0.19 0.398 0.00606 0.39 0.4089 0.9418 1367748 Enamine_000861 O=C(C1CCN(CC1)S(=O)(=O)c2ccccc2)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H04 compound treatment 0.461 0.0681 2.5 0.44 0.0481 3.11 3.9666 0.9941 2060886 Enamine_000862 CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H05 compound treatment 0.405 0.0121 0.44 0.403 0.0111 0.72 0.8194 0.9734 2060887 Enamine_000863 O=C/1CCC\C1=C\c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H06 compound treatment 0.401 0.00806 0.3 0.399 0.00706 0.46 0.5325 0.9779 2060888 Enamine_000864 FC1(F)C(N(C1=O)c2ccc3OCCOc3c2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H07 compound treatment 0.407 0.0141 0.52 0.403 0.0111 0.72 0.8714 0.9872 1455891 Enamine_000865 C(N1CCCC1)c2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H08 compound treatment 0.401 0.00806 0.3 0.398 0.00606 0.39 0.4868 0.9904 1240243 Enamine_000866 Brc1ccc(OCc2nnc3CCCn23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H09 compound treatment 0.4 0.00706 0.26 0.401 0.00906 0.59 0.5981 0.9327 2060889 Enamine_000867 NC(C(=O)O)C(O)(c1ccccc1)C(F)(F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H10 compound treatment 0.41 0.0171 0.63 0.415 0.0231 1.49 1.4983 0.9257 2060890 Enamine_000868 COc1ccc(cc1)N2C(=O)/C(=C\NC(C)(C)C)/c3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H11 compound treatment 0.4 0.00706 0.26 0.403 0.0111 0.72 0.6896 0.9057 1537226 Enamine_000869 CC1CN(CC(C)O1)c2nc3cc(C)ccc3cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H12 compound treatment 0.4 0.00706 0.26 0.403 0.0111 0.72 0.6896 0.9057 1090910 Enamine_000870 O=C(c1nc2ccccc2s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H13 compound treatment 0.403 0.0101 0.37 0.401 0.00906 0.59 0.676 0.9752 2060891 Enamine_000871 FC(F)(F)c1cnc(NC(=O)c2cc3CCCc3s2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H14 compound treatment 0.399 0.00606 0.22 0.399 0.00706 0.46 0.4806 0.9454 1671464 Enamine_000872 O=C(Cc1ccccc1)Nn2cnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H15 compound treatment 0.46 0.0671 2.46 0.464 0.0721 4.66 5.0388 0.9555 2060892 Enamine_000873 O=C(c1nnc(s1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H16 compound treatment 0.401 0.00806 0.3 0.402 0.0101 0.65 0.6698 0.9364 1262618 Enamine_000874 C(Cc1nnc2CCCCCn12)N3CCN(CC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H17 compound treatment 0.411 0.0181 0.66 0.406 0.0141 0.91 1.1125 0.9879 2060893 Enamine_000875 CC(C)N(C(=O)CSc1nc(C)cc(C)n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H18 compound treatment 0.398 0.00506 0.19 0.398 0.00606 0.39 0.4089 0.9418 1124920 Enamine_000876 CC1(C)C2(C)CCC1(CC2=O)C(=O)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H19 compound treatment 0.394 0.00106 0.04 0.4 0.00806 0.52 0.3965 0.7579 1691920 Enamine_000877 COc1ccc2[nH]c(SCC(O)c3ccccc3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H20 compound treatment 0.402 0.00906 0.33 0.399 0.00706 0.46 0.5585 0.9879 1056714 Enamine_000878 Nc1ccccc1c2ccccc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H21 compound treatment 0.4 0.00706 0.26 0.397 0.00506 0.33 0.415 0.9933 2060894 Enamine_000879 N#CCc1nnc2CSc3ccccc3-n12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H22 compound treatment 0.393 6.25E-5 0.0 0.392 6.25E-5 0.0 0.0045 0.964 1289627 Enamine_000880 O=C(C1CCCCN1S(=O)(=O)c2ccccc2)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H23 mock treatment 0.403 0.0101 0.37 0.403 0.0111 0.72 0.7675 0.9527 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 H24 mock treatment 0.39 -0.00294 -0.11 0.39 -0.00194 -0.13 -0.1649 -0.9972 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I01 compound treatment 0.403 0.0101 0.37 0.404 0.0121 0.78 0.8132 0.9417 1450569 Enamine_000881 OC(CNCc1ccco1)COc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I02 compound treatment 0.412 0.0191 0.7 0.409 0.0171 1.1 1.2757 0.9758 1481653 Enamine_000882 COc1cccc(NC(=O)c2ccc(Cl)cc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I03 compound treatment 0.407 0.0141 0.52 0.405 0.0131 0.85 0.9629 0.972 1453433 Enamine_000883 Cc1cc(C)n(CC(O)COc2cccc3ccccc23)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I04 compound treatment 0.494 0.101 3.71 0.47 0.0781 5.05 6.1962 0.9885 1598359 Enamine_000884 N#CC(=C(C#N)c1ccc(cc1)N(c2ccccc2)c3ccccc3)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I05 compound treatment 0.408 0.0151 0.55 0.408 0.0161 1.04 1.1261 0.9564 2060895 Enamine_000885 CCC/C=C(\CC)/C[N+]1(C)CCCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I06 compound treatment 0.41 0.0171 0.63 0.409 0.0171 1.1 1.2238 0.964 1450744 Enamine_000886 O=C(N(c1ccccn1)c2ccccn2)c3cc4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I07 compound treatment 0.413 0.0201 0.74 0.416 0.0241 1.56 1.622 0.9416 1136843 Enamine_000887 Oc1ccc(N=c2c(=O)c3ccccc3c2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I08 compound treatment 0.409 0.0161 0.59 0.405 0.0131 0.85 1.0148 0.9845 1675285 Enamine_000888 OC(COCC1COc2ccccc2O1)C[N+]3(Cc4ccccc4)CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I09 compound treatment 0.406 0.0131 0.48 0.401 0.00906 0.59 0.7539 0.995 1565926 Enamine_000889 Fc1ccc(cc1)C(CNC(=O)c2ccc(cc2)C(=O)c3ccccc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I10 compound treatment 0.408 0.0151 0.55 0.408 0.0161 1.04 1.1261 0.9564 2060896 Enamine_000890 BrCCOC1OCCOC1OCCBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I11 compound treatment 0.426 0.0331 1.21 0.419 0.0271 1.75 2.0968 0.984 1686134 Enamine_000891 CC1Cc2cc(ccc2N1)C3(O)C(=O)c4ccccc4C3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I12 compound treatment 0.412 0.0191 0.7 0.414 0.0221 1.43 1.5045 0.9462 2060897 Enamine_000892 Fc1ccc(cc1)c2ccc(/C=C/C(=O)N3CCCCC3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I13 compound treatment 0.418 0.0251 0.92 0.416 0.0241 1.56 1.7518 0.9685 1251442 Enamine_000893 Clc1ncccc1C(=O)NC2C3CC4CC(C3)CC2C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I14 compound treatment 0.424 0.0311 1.14 0.421 0.0291 1.88 2.1364 0.9713 2060898 Enamine_000894 ClCCCC(=O)Nc1nc(cs1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I15 compound treatment 0.4 0.00706 0.26 0.402 0.0101 0.65 0.6438 0.9186 1248057 Enamine_000895 Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c3ccc(Cl)cc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I16 compound treatment 0.415 0.0221 0.81 0.411 0.0191 1.23 1.4451 0.9792 2060899 Enamine_000896 COc1ccc(CN2C(c3ccco3)C(F)(F)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I17 compound treatment 0.415 0.0221 0.81 0.414 0.0221 1.43 1.5824 0.964 1602353 Enamine_000897 Brc1cccc(c1)C(=O)c2nccn2c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I18 compound treatment 0.408 0.0151 0.55 0.409 0.0171 1.1 1.1719 0.9489 1655650 Enamine_000898 CN1CCC2C(C1)c3cc(C)ccc3N2C(=O)Cc4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I19 compound treatment 0.404 0.0111 0.41 0.402 0.0101 0.65 0.7477 0.9742 1457780 Enamine_000899 Cn1c(nc2ccccc12)C(O)c3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I20 compound treatment 0.403 0.0101 0.37 0.406 0.0141 0.91 0.9048 0.9212 1071194 Enamine_000900 CC(C)(C)N1CC(O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I21 compound treatment 0.4 0.00706 0.26 0.404 0.0121 0.78 0.7353 0.894 2060900 Enamine_000901 CC(C)/C=C/1\CCCC\C1=N/n2cnnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I22 compound treatment 0.41 0.0171 0.63 0.403 0.0111 0.72 0.9493 0.9978 1279925 Enamine_000902 CC1(CC2CC(C)(C)C1)CN2CC(O)COCc3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I23 mock treatment 0.398 0.00506 0.19 0.401 0.00906 0.59 0.5461 0.8877 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 I24 mock treatment 0.397 0.00406 0.15 0.396 0.00406 0.26 0.2914 0.964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J01 compound treatment 0.4 0.00706 0.26 0.396 0.00406 0.26 0.3693 1.0 1303674 Enamine_000903 O=C(NC1CCCCC1)c2cccc(c2)S(=O)(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J02 compound treatment 0.4 0.00706 0.26 0.404 0.0121 0.78 0.7353 0.894 1032295 Enamine_000904 Nc1ccc(cc1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J03 compound treatment 0.394 0.00106 0.04 0.391 -9.37E-4 -0.06 -0.0153 -0.2122 2060901 Enamine_000905 OCC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J04 compound treatment 0.394 0.00106 0.04 0.395 0.00306 0.2 0.1677 0.8304 2060902 Enamine_000906 CC1(C)CC(=O)C=C(C1)Nc2ccc(Br)cn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J05 compound treatment 0.402 0.00906 0.33 0.4 0.00806 0.52 0.6042 0.9764 1239463 Enamine_000907 C(N1CCCCC1)c2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J06 compound treatment 0.405 0.0121 0.44 0.405 0.0131 0.85 0.9109 0.9545 1499822 Enamine_000908 N=c1oc2ccccc2cc1c3nnc4CCCCCn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J07 compound treatment 0.408 0.0151 0.55 0.404 0.0121 0.78 0.9431 0.9858 2060903 Enamine_000909 Fc1ccc(NC(=O)/C=C/c2ccc(Br)o2)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J08 compound treatment 0.399 0.00606 0.22 0.398 0.00606 0.39 0.4348 0.964 2060904 Enamine_000910 CC(/N=C\1/CCCCCN1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J09 compound treatment 0.393 6.25E-5 0.0 0.392 6.25E-5 0.0 0.0045 0.964 2060905 Enamine_000911 OC(c1ccc(NS(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J10 compound treatment 0.397 0.00406 0.15 0.395 0.00306 0.2 0.2456 0.9902 1260956 Enamine_000912 Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cccn2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J11 compound treatment 0.396 0.00306 0.11 0.395 0.00306 0.2 0.2197 0.964 2060906 Enamine_000913 FC(F)(F)C(=O)N1CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J12 compound treatment 0.398 0.00506 0.19 0.398 0.00606 0.39 0.4089 0.9418 1533223 Enamine_000914 Cc1ccc(cc1)C(=O)OCC2COc3ccccc3O2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J13 compound treatment 0.395 0.00206 0.08 0.396 0.00406 0.26 0.2394 0.8752 1238721 Enamine_000915 CCC(=O)NCC(N1CCOCC1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J14 compound treatment 0.452 0.0591 2.17 0.448 0.0561 3.63 4.099 0.9698 2060907 Enamine_000916 CCCn1c(/N=C/c2c[nH]c3ccccc23)nc4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J15 compound treatment 0.436 0.0431 1.58 0.433 0.0411 2.66 2.9971 0.9693 2060908 Enamine_000917 COc1ccc2nc(NC(=O)CCCCl)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J16 compound treatment 0.404 0.0111 0.41 0.405 0.0131 0.85 0.885 0.9436 1506842 Enamine_000918 CC(C)(C)C1=CC(C(C#N)C#N)c2ccccc2O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J17 compound treatment 0.399 0.00606 0.22 0.399 0.00706 0.46 0.4806 0.9454 1232958 Enamine_000919 CN1CCN(CCc2nnc3CCCCCn23)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J18 compound treatment 0.393 6.25E-5 0.0 0.392 6.25E-5 0.0 0.0045 0.964 1465435 Enamine_000920 OCCNC(=O)C(O)(c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J19 compound treatment 0.42 0.0271 0.99 0.436 0.0441 2.85 2.7189 0.9004 2060909 Enamine_000921 COc1cccc(c1)C2=Nc3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J20 compound treatment 0.396 0.00306 0.11 0.399 0.00706 0.46 0.4027 0.8556 1978978 Enamine_000922 C1CCc2ncc(c3ccccc3)n2CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J21 compound treatment 0.396 0.00306 0.11 0.399 0.00706 0.46 0.4027 0.8556 2060910 Enamine_000923 Cc1cc(=O)cc(o1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J22 compound treatment 0.391 -0.00194 -0.07 0.39 -0.00194 -0.13 -0.139 -0.964 2060911 Enamine_000924 CC(Cl)(Cl)/C(=C(\C#N)/c1nnc2CCCCCn12)/O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J23 mock treatment 0.39 -0.00294 -0.11 0.392 6.25E-5 0.0 -0.0734 -0.6801 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 J24 mock treatment 0.39 -0.00294 -0.11 0.389 -0.00294 -0.19 -0.2107 -0.964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K01 compound treatment 0.402 0.00906 0.33 0.398 0.00606 0.39 0.5127 0.9966 1733606 Enamine_000925 CC(=O)N(Cc1ccccc1)c2ccccc2C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K02 compound treatment 0.409 0.0161 0.59 0.404 0.0121 0.78 0.969 0.9905 1126605 Enamine_000926 CC1CC(C)CN(CC(O)COCc2ccccc2F)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K03 compound treatment 0.397 0.00406 0.15 0.404 0.0121 0.78 0.6574 0.8273 1655538 Enamine_000927 CC(N(C(=O)c1ccccc1F)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K04 compound treatment 0.433 0.0401 1.47 0.422 0.0301 1.95 2.4159 0.9905 2060912 Enamine_000928 Cc1nn(c(O)c1/C=N/c2ccc(C)cn2)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K05 compound treatment 0.407 0.0141 0.52 0.406 0.0141 0.91 1.0086 0.964 2060913 Enamine_000929 COc1ccc(/N=C/c2ccc(Cl)cc2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K06 compound treatment 0.411 0.0181 0.66 0.412 0.0201 1.3 1.387 0.9514 1180708 Enamine_000930 O=C(c1nccn1c2ccccn2)c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K07 compound treatment 0.398 0.00506 0.19 0.399 0.00706 0.46 0.4546 0.9214 1384487 Enamine_000931 O=C(COc1cccc(Oc2ccccc2)c1)N3CCN(Cc4ccccc4)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K08 compound treatment 0.414 0.0211 0.77 0.398 0.00606 0.39 0.8243 0.9505 2060914 Enamine_000932 NC(=O)/C=C/c1cccc(c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K09 compound treatment 0.4 0.00706 0.26 0.405 0.0131 0.85 0.7811 0.8834 2060915 Enamine_000933 Clc1ccc(cc1)c2nn(cc2C(=O)NCC3CCCO3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K10 compound treatment 0.41 0.0171 0.63 0.412 0.0201 1.3 1.3611 0.9442 1232256 Enamine_000934 Fc1ccccc1COc2ccc3c4CCCc4c(=O)oc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K11 compound treatment 0.399 0.00606 0.22 0.399 0.00706 0.46 0.4806 0.9454 2060916 Enamine_000935 c1nncn1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K12 compound treatment 0.398 0.00506 0.19 0.405 0.0131 0.85 0.7292 0.8425 1512103 Enamine_000936 CC(C)(CN1CCC(Cc2ccccc2)CC1)NS(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K13 compound treatment 0.41 0.0171 0.63 0.407 0.0151 0.97 1.1323 0.9772 1493962 Enamine_000937 COC(=O)C(C)NC(=O)c1cccnc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K14 compound treatment 0.407 0.0141 0.52 0.403 0.0111 0.72 0.8714 0.9872 1316696 Enamine_000938 O=C(N1CCCCCC1)c2ccc(s2)C(=O)N3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K15 compound treatment 0.4 0.00706 0.26 0.404 0.0121 0.78 0.7353 0.894 1456994 Enamine_000939 CC1(C)CC(=O)C=C(C1)NCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K16 compound treatment 0.407 0.0141 0.52 0.411 0.0191 1.23 1.2374 0.9253 1586368 Enamine_000940 COC(=O)CSc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K17 compound treatment 0.4 0.00706 0.26 0.399 0.00706 0.46 0.5066 0.964 1587270 Enamine_000941 CN(C)CC1CCCCC1OC(=O)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K18 compound treatment 0.417 0.0241 0.88 0.412 0.0201 1.3 1.5428 0.9824 2060917 Enamine_000942 Nc1c(C#N)sc2nc(cc(c12)C(F)(F)F)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K19 compound treatment 0.387 -0.00594 -0.22 0.39 -0.00194 -0.13 -0.2428 -0.9655 1657701 Enamine_000943 CN(C)c1ccc(cc1)C(O)c2nc3ccccc3n2Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K20 compound treatment 0.402 0.00906 0.33 0.405 0.0131 0.85 0.833 0.917 1257450 Enamine_000944 CCc1cc(=O)oc2cc(OC3CCCCC3=O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K21 compound treatment 0.41 0.0171 0.63 0.414 0.0221 1.43 1.4526 0.9317 1198697 Enamine_000945 CC1CC(C)CN(C1)C(=O)c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K22 compound treatment 0.429 0.0361 1.32 0.459 0.0671 4.34 4.0051 0.8827 2060918 Enamine_000946 O=C(/C=C/c1ccco1)N(c2ccccn2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K23 mock treatment 0.394 0.00106 0.04 0.39 -0.00194 -0.13 -0.0611 -0.4651 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 K24 mock treatment 0.402 0.00906 0.33 0.399 0.00706 0.46 0.5585 0.9879 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L01 compound treatment 0.414 0.0211 0.77 0.409 0.0171 1.1 1.3277 0.9848 2060919 Enamine_000947 NC(CC1CCCCC1)C(O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L02 compound treatment 0.403 0.0101 0.37 0.401 0.00906 0.59 0.676 0.9752 1710747 Enamine_000948 CN(C)CC1CCCCC1OC(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L03 compound treatment 0.406 0.0131 0.48 0.408 0.0161 1.04 1.0742 0.9383 2060920 Enamine_000949 Cc1ccc(N/C=C/2\CCCCC2=O)nc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L04 compound treatment 0.4 0.00706 0.26 0.4 0.00806 0.52 0.5523 0.9479 1443853 Enamine_000950 CC(C)(C)N1CC(C1)OC(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L05 compound treatment 0.429 0.0361 1.32 0.428 0.0361 2.33 2.5866 0.964 2060921 Enamine_000951 CCN(CC)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L06 compound treatment 0.395 0.00206 0.08 0.4 0.00806 0.52 0.4225 0.8014 1517395 Enamine_000952 CC(=O)Oc1ccccc1n2c(C)nc(=O)c(c2C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L07 compound treatment 0.399 0.00606 0.22 0.4 0.00806 0.52 0.5263 0.9279 1505835 Enamine_000953 C(N1CCCCCC1)c2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L08 compound treatment 0.396 0.00306 0.11 0.398 0.00606 0.39 0.3569 0.8746 2060922 Enamine_000954 C[n+]1c(cn2CCCCCc21)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L09 compound treatment 0.404 0.0111 0.41 0.415 0.0231 1.49 1.3425 0.868 2060923 Enamine_000955 CN(C)c1cccc(NC(=O)c2cccs2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L10 compound treatment 0.404 0.0111 0.41 0.41 0.0181 1.17 1.1138 0.9001 1294643 Enamine_000956 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L11 compound treatment 0.405 0.0121 0.44 0.416 0.0241 1.56 1.4143 0.8736 1273980 Enamine_000957 CN(C)CC(O)Cn1c2ccccc2c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L12 compound treatment 0.414 0.0211 0.77 0.413 0.0211 1.36 1.5107 0.964 1415795 Enamine_000958 Clc1ccccc1C(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L13 compound treatment 0.438 0.0451 1.65 0.448 0.0561 3.63 3.7354 0.9368 2060924 Enamine_000959 O=C(c1nnc(o1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L14 compound treatment 0.427 0.0341 1.25 0.436 0.0441 2.85 2.9007 0.9316 1366172 Enamine_000960 Nn1c2nc(cn2c3ccccc13)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L15 compound treatment 0.407 0.0141 0.52 0.408 0.0161 1.04 1.1001 0.9479 1309799 Enamine_000961 O=C(Nn1ncc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L16 compound treatment 0.406 0.0131 0.48 0.404 0.0121 0.78 0.8911 0.9727 2060925 Enamine_000962 CCN1CCN(CC1)C(=O)/C=C/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L17 compound treatment 0.415 0.0221 0.81 0.411 0.0191 1.23 1.4451 0.9792 2060926 Enamine_000963 CCc1cc2c(NC3CCCCC3)ncnc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L18 compound treatment 0.4 0.00706 0.26 0.399 0.00706 0.46 0.5066 0.964 1499803 Enamine_000964 O=C(C1CCCCN1S(=O)(=O)c2ccccc2)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L19 compound treatment 0.45 0.0571 2.1 0.449 0.0571 3.69 4.0928 0.964 1373389 Enamine_000965 Cc1ccc(cc1)N2C(C(N3C(=O)CCC3=O)C2=O)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L20 compound treatment 0.403 0.0101 0.37 0.41 0.0181 1.17 1.0878 0.8874 2060927 Enamine_000966 CN(C(=O)/C=C/c1ccc(Br)o1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L21 compound treatment 0.402 0.00906 0.33 0.403 0.0111 0.72 0.7415 0.9393 2060928 Enamine_000967 Cc1ccc(NC2=Nc3ccccc3SC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L22 compound treatment 0.433 0.0401 1.47 0.443 0.0511 3.3 3.3768 0.9336 2060929 Enamine_000968 N#Cc1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L23 mock treatment 0.407 0.0141 0.52 0.406 0.0141 0.91 1.0086 0.964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 L24 mock treatment 0.399 0.00606 0.22 0.398 0.00606 0.39 0.4348 0.964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M01 compound treatment 0.406 0.0131 0.48 0.404 0.0121 0.78 0.8911 0.9727 2060930 Enamine_000969 COc1ccc(cc1)n2cnc3cc(/N=C/c4ccccc4O)ccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M02 compound treatment 0.407 0.0141 0.52 0.406 0.0141 0.91 1.0086 0.964 1689108 Enamine_000970 O=C1Nc2ccccc2C1c3nc4ccccc4[nH]c3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M03 compound treatment 0.392 -9.37E-4 -0.03 0.393 0.00106 0.07 0.0243 0.3157 1073932 Enamine_000971 Oc1cccc(CC=C)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M04 compound treatment 0.4 0.00706 0.26 0.403 0.0111 0.72 0.6896 0.9057 1069942 Enamine_000972 CCOC(=O)NS(=O)(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M05 compound treatment 0.425 0.0321 1.18 0.423 0.0311 2.01 2.2539 0.9675 1692103 Enamine_000973 CNC(=O)c1c2CCCCc2nc3ccc(Br)cc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M06 compound treatment 0.42 0.0271 0.99 0.424 0.0321 2.07 2.1698 0.9432 2060931 Enamine_000974 CC(C)C(=O)Nc1nc2c(C)cc(C)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M07 compound treatment 0.416 0.0231 0.85 0.415 0.0231 1.49 1.6541 0.964 1225268 Enamine_000975 CNc1ccc(cc1)C2(O)C(=O)c3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M08 compound treatment 0.402 0.00906 0.33 0.407 0.0151 0.97 0.9246 0.8977 2060932 Enamine_000976 CCCOC(=O)C[n+]1cn(CC)c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M09 compound treatment 0.401 0.00806 0.3 0.401 0.00906 0.59 0.624 0.9499 2060933 Enamine_000977 O=C(NCCCN1CCOCC1)c2cn(nc2c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M10 compound treatment 0.403 0.0101 0.37 0.399 0.00706 0.46 0.5845 0.9944 2060934 Enamine_000978 N#CSc1ccc(cc1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M11 compound treatment 0.399 0.00606 0.22 0.399 0.00706 0.46 0.4806 0.9454 1183539 Enamine_000979 CCC(CO)NC(=O)c1cn(nc1c2ccc(Cl)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M12 compound treatment 0.403 0.0101 0.37 0.405 0.0131 0.85 0.859 0.9311 1667971 Enamine_000980 CN(CC(C)(C)NS(=O)(=O)c1ccccc1)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M13 compound treatment 0.405 0.0121 0.44 0.403 0.0111 0.72 0.8194 0.9734 1221043 Enamine_000981 O=C(NC1CCS(=O)(=O)C1)c2cc(nc3ccccc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M14 compound treatment 0.407 0.0141 0.52 0.406 0.0141 0.91 1.0086 0.964 1653574 Enamine_000982 COC(=O)C(NC(=O)c1cc(nc2ccccc12)c3ccccc3)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M15 compound treatment 0.397 0.00406 0.15 0.396 0.00406 0.26 0.2914 0.964 2060935 Enamine_000983 CC(C)n1c(Cc2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M16 compound treatment 0.478 0.0851 3.12 0.483 0.0911 5.89 6.3756 0.9559 2060936 Enamine_000984 CN(C1=CC(=O)C(=CC1=O)C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M17 compound treatment 0.401 0.00806 0.3 0.404 0.0121 0.78 0.7613 0.9119 1637302 Enamine_000985 CC(N(C(=O)C1CC1)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M18 compound treatment 0.408 0.0151 0.55 0.408 0.0161 1.04 1.1261 0.9564 1195381 Enamine_000986 CC1CC(C)CN(CC(C)(C)NS(=O)(=O)c2ccccc2)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M19 compound treatment 0.393 6.25E-5 0.0 0.397 0.00506 0.33 0.2333 0.712 1201167 Enamine_000987 COc1ccc(cc1)C(O)c2nc3ccccc3n2C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M20 compound treatment 0.397 0.00406 0.15 0.398 0.00606 0.39 0.3829 0.9123 1397371 Enamine_000988 CC[N+]1(CC(O)COc2ccc(Br)cc2Br)CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M21 compound treatment 0.392 -9.37E-4 -0.03 0.396 0.00406 0.26 0.1615 0.6093 1450521 Enamine_000989 CN(Cc1ccccc1)C(=O)C2CCCN2S(=O)(=O)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M22 compound treatment 0.398 0.00506 0.19 0.399 0.00706 0.46 0.4546 0.9214 1722349 Enamine_000990 C[N+]1(CC(O)COc2ccccc2F)CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M23 mock treatment 0.398 0.00506 0.19 0.394 0.00206 0.13 0.2258 0.9868 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 M24 mock treatment 0.397 0.00406 0.15 0.391 -9.37E-4 -0.06 0.0626 0.3886 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N01 compound treatment 0.403 0.0101 0.37 0.403 0.0111 0.72 0.7675 0.9527 2060937 Enamine_000991 Cc1cc(C)[n+]2nc(sc2n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N02 compound treatment 0.395 0.00206 0.08 0.397 0.00506 0.33 0.2852 0.8482 2060938 Enamine_000992 Cc1ccc(cc1)C(=O)NC(O)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N03 compound treatment 0.397 0.00406 0.15 0.399 0.00706 0.46 0.4287 0.8916 2060939 Enamine_000993 Cc1cccnc1N/C=C\2/CCCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N04 compound treatment 0.393 6.25E-5 0.0 0.392 6.25E-5 0.0 0.0045 0.964 2060940 Enamine_000994 OC(=O)/C=C/c1ccc(F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N05 compound treatment 0.408 0.0151 0.55 0.406 0.0141 0.91 1.0346 0.9715 1627381 Enamine_000995 CN1CCC2C(C1)c3cc(C)ccc3N2Sc4ccc(Cl)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N06 compound treatment 0.398 0.00506 0.19 0.4 0.00806 0.52 0.5004 0.9034 2060941 Enamine_000996 CCc1nc(=O)c(c(C)n1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N07 compound treatment 0.399 0.00606 0.22 0.401 0.00906 0.59 0.5721 0.912 2060942 Enamine_000997 CCN(CC)C(=O)c1cc2sc3ccccc3c2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N08 compound treatment 0.455 0.0621 2.28 0.476 0.0841 5.44 5.4581 0.9254 2060943 Enamine_000998 COc1ccc2/C(=C/NC(C)(C)C)/C(=O)N(Cc3ccccc3)C(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N09 compound treatment 0.396 0.00306 0.11 0.396 0.00406 0.26 0.2654 0.9282 2060944 Enamine_000999 Cn1c(/C=N/n2cnnc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N10 compound treatment 0.397 0.00406 0.15 0.4 0.00806 0.52 0.4744 0.8743 1016167 Enamine_001000 OC1(CC(=O)C=C1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N11 compound treatment 0.417 0.0241 0.88 0.419 0.0271 1.75 1.8631 0.9498 1043499 Enamine_001001 COC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N12 compound treatment 0.373 -0.0199 -0.73 0.386 -0.00594 -0.38 -0.7894 -0.9547 2060945 Enamine_001002 CC(C)(C)c1cc(/C=N/n2c(N)nc3ccccc23)cc(c1O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N13 compound treatment 0.402 0.00906 0.33 0.406 0.0141 0.91 0.8788 0.907 1397547 Enamine_001003 COc1cc2CCN(Cc3ccc(C)o3)Cc2cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N14 compound treatment 0.42 0.0271 0.99 0.425 0.0331 2.14 2.2156 0.9392 1138488 Enamine_001004 Cc1ccc(Oc2ccc(OCC(=O)Nc3ccncc3)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N15 compound treatment 0.403 0.0101 0.37 0.405 0.0131 0.85 0.859 0.9311 2060946 Enamine_001005 Clc1ccc(NC(=O)C2CC/C(=C\c3ccccc3)/C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N16 compound treatment 0.41 0.0171 0.63 0.416 0.0241 1.56 1.5441 0.92 2060947 Enamine_001006 COC(=O)c1cc2ccccc2nc1c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N17 compound treatment 0.402 0.00906 0.33 0.404 0.0121 0.78 0.7873 0.9278 1373548 Enamine_001007 CC1CN(CC(C)O1)C(=O)c2cc3CCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N18 compound treatment 0.401 0.00806 0.3 0.401 0.00906 0.59 0.624 0.9499 2060948 Enamine_001008 O=C(NCCC(c1ccccc1)c2ccccc2)C3=COCCO3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N19 compound treatment 0.402 0.00906 0.33 0.405 0.0131 0.85 0.833 0.917 1391033 Enamine_001009 Cc1ccc2cc(C)c(Nc3ccc4OCOc4c3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N20 compound treatment 0.403 0.0101 0.37 0.395 0.00306 0.2 0.4014 0.9573 1089968 Enamine_001010 COc1ccc2nc(C)cc(O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N21 compound treatment 0.392 -9.37E-4 -0.03 0.39 -0.00194 -0.13 -0.113 -0.8691 1733812 Enamine_001011 Nc1ccccc1NCCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N22 compound treatment 0.479 0.0861 3.16 0.504 0.112 7.25 7.3625 0.9307 1313939 Enamine_001012 CC(=O)Nc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N23 mock treatment 0.393 6.25E-5 0.0 0.396 0.00406 0.26 0.1875 0.7133 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 N24 mock treatment 0.389 -0.00394 -0.14 0.388 -0.00394 -0.25 -0.2824 -0.964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O01 compound treatment 0.391 -0.00194 -0.07 0.382 -0.00994 -0.64 -0.505 -0.7806 1146817 Enamine_001013 CC1CC2(C)Oc3ccccc3C4OCC1(CO)C(C)C42 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O02 compound treatment 0.399 0.00606 0.22 0.426 0.0341 2.2 1.7161 0.7746 1318745 Enamine_001014 COc1ccc(cc1)n2cnc3C(=O)c4ccccc4C(=O)c32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O03 compound treatment 0.399 0.00606 0.22 0.398 0.00606 0.39 0.4348 0.964 2060949 Enamine_001015 N#C/C(=C/1\CCCN1)/c2nc(cs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O04 compound treatment 0.399 0.00606 0.22 0.393 0.00106 0.07 0.206 0.8843 2060950 Enamine_001016 CN(C1CCCCC1)C(=O)c2c(Cl)nc3sccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O05 compound treatment 0.398 0.00506 0.19 0.398 0.00606 0.39 0.4089 0.9418 1002793 Enamine_001017 CC1C=C(C)CC(C1C(=O)O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O06 compound treatment 0.43 0.0371 1.36 0.402 0.0101 0.65 1.4228 0.943 1728475 Enamine_001018 N(=C1c2ccccc2-c3ccccc13)n4cnnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O07 compound treatment 0.395 0.00206 0.08 0.401 0.00906 0.59 0.4682 0.7919 2060951 Enamine_001019 C(/N=C/c1cccnc1)C2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O08 compound treatment 0.408 0.0151 0.55 0.429 0.0371 2.4 2.087 0.8479 1684657 Enamine_001020 CCc1cc(C(=O)Cc2nc3ccccc3n2C)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O09 compound treatment 0.397 0.00406 0.15 0.4 0.00806 0.52 0.4744 0.8743 1195446 Enamine_001021 O=C(NC1(CC2CC3CC(C2)C1)C3)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O10 compound treatment 0.402 0.00906 0.33 0.407 0.0151 0.97 0.9246 0.8977 2060952 Enamine_001022 O=C1S/C(=C\c2ccco2)/C(=O)N1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O11 compound treatment 0.388 -0.00494 -0.18 0.39 -0.00194 -0.13 -0.2169 -0.9838 2060953 Enamine_001023 Nc1ccc(cc1)S(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O12 compound treatment 0.395 0.00206 0.08 0.392 6.25E-5 0.0 0.0564 0.7438 2060954 Enamine_001024 Fc1ccc(cc1)C(CNC(=O)/C=C/c2cccs2)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O13 compound treatment 0.399 0.00606 0.22 0.4 0.00806 0.52 0.5263 0.9279 1451857 Enamine_001025 C=C1C(C1C(=O)NCc2ccncc2)C(=O)NCc3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O14 compound treatment 0.401 0.00806 0.3 0.404 0.0121 0.78 0.7613 0.9119 1245825 Enamine_001026 COc1ccc2NS(=O)(=O)c3ccccc3-c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O15 compound treatment 0.394 0.00106 0.04 0.386 -0.00594 -0.38 -0.2441 -0.6321 2060955 Enamine_001027 Cc1ccc(/N=C\2/N=C(N)c3ccccc23)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O16 compound treatment 0.403 0.0101 0.37 0.407 0.0151 0.97 0.9505 0.9118 1200573 Enamine_001028 COc1ccc2N(C)S(=O)(=O)c3ccccc3-c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O17 compound treatment 0.421 0.0281 1.03 0.393 0.00106 0.07 0.7773 0.7526 1556197 Enamine_001029 O=C(N1CCCCC(Sc2ccccc2)C1=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O18 compound treatment 0.4 0.00706 0.26 0.398 0.00606 0.39 0.4608 0.9798 1139269 Enamine_001030 CCC1CCCCN1CC(C)(C)NS(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O19 compound treatment 0.39 -0.00294 -0.11 0.39 -0.00194 -0.13 -0.1649 -0.9972 1348061 Enamine_001031 CCOC(=O)c1c(CC(C)C)csc1NC(=O)C#Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O20 compound treatment 0.448 0.0551 2.02 0.489 0.0971 6.28 5.8712 0.8898 1009347 Enamine_001032 CNc1ccc(O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O21 compound treatment 0.393 6.25E-5 0.0 0.388 -0.00394 -0.25 -0.1785 -0.7007 2060956 Enamine_001033 CC(=O)NC(=O)/C(=C(/C)\Nc1ccccc1)/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O22 compound treatment 0.396 0.00306 0.11 0.398 0.00606 0.39 0.3569 0.8746 1382337 Enamine_001034 O=C(NCC1CCCO1)c2cc3CCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O23 mock treatment 0.385 -0.00794 -0.29 0.389 -0.00294 -0.19 -0.3405 -0.9785 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 O24 mock treatment 0.39 -0.00294 -0.11 0.387 -0.00494 -0.32 -0.3022 -0.8961 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P01 compound treatment 0.4 0.00706 0.26 0.397 0.00506 0.33 0.415 0.9933 2060957 Enamine_001035 COc1ccc(/N=C/c2ccccc2F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P02 compound treatment 0.406 0.0131 0.48 0.404 0.0121 0.78 0.8911 0.9727 2060958 Enamine_001036 CN1/C(=C/C=N/n2cnnc2)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P03 compound treatment 0.402 0.00906 0.33 0.395 0.00306 0.2 0.3755 0.9693 2060959 Enamine_001037 Oc1ccc(cc1)C2Nc3ccc(cc3C(=O)O2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P04 compound treatment 0.391 -0.00194 -0.07 0.389 -0.00294 -0.19 -0.1847 -0.9101 1324978 Enamine_001038 COc1ccc(cc1)C(=O)OC2CCCCC2CN(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P05 compound treatment 0.397 0.00406 0.15 0.4 0.00806 0.52 0.4744 0.8743 1588373 Enamine_001039 CC1Cc2ccccc2N1C(=O)c3cc4ccccc4oc3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P06 compound treatment 0.406 0.0131 0.48 0.411 0.0191 1.23 1.2115 0.9153 2060960 Enamine_001040 Nc1nc(nc(c1C#N)c2ccccc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P07 compound treatment 0.412 0.0191 0.7 0.413 0.0211 1.36 1.4588 0.952 1115377 Enamine_001041 O=C(Cc1nc2ccccc2[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P08 compound treatment 0.412 0.0191 0.7 0.408 0.0161 1.04 1.23 0.9815 1062859 Enamine_001042 O=C1Cc2ccccc2C(=O)N1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P09 compound treatment 0.433 0.0401 1.47 0.432 0.0401 2.59 2.8735 0.964 1579840 Enamine_001043 COc1ccccc1N=c2oc3ccc(Cl)cc3cc2C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P10 compound treatment 0.393 6.25E-5 0.0 0.394 0.00206 0.13 0.096 0.7192 2060961 Enamine_001044 COc1cc(C)nn1c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P11 compound treatment 0.393 6.25E-5 0.0 0.396 0.00406 0.26 0.1875 0.7133 1513189 Enamine_001045 OC(c1nc2ccccc2n1c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P12 compound treatment 0.46 0.0671 2.46 0.458 0.0661 4.28 4.7643 0.9657 2060962 Enamine_001046 Cc1cc2ncn(/N=C/c3ccc4OCOc4c3)c2cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P13 compound treatment 0.455 0.0621 2.28 0.45 0.0581 3.76 4.2684 0.9713 2060963 Enamine_001047 Cn1cc(/C=C(\C(=O)O)/C(=C2CCCCC2)C(=O)O)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P14 compound treatment 0.406 0.0131 0.48 0.407 0.0151 0.97 1.0284 0.9467 1446363 Enamine_001048 COc1ccccc1N(Cc2ccccc2O)C(=O)COc3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P15 compound treatment 0.404 0.0111 0.41 0.398 0.00606 0.39 0.5647 0.9998 1306152 Enamine_001049 Cc1cc(ccc1OCC(=O)N)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P16 compound treatment 0.399 0.00606 0.22 0.402 0.0101 0.65 0.6179 0.8978 1257207 Enamine_001050 O=C1NC(CCC2CCCCC2)Oc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P17 compound treatment 0.398 0.00506 0.19 0.399 0.00706 0.46 0.4546 0.9214 2060964 Enamine_001051 Brc1ccc2nc(CSc3nnc4ccccn34)cn2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P18 compound treatment 0.397 0.00406 0.15 0.397 0.00506 0.33 0.3371 0.9366 1308493 Enamine_001052 Cc1nc2cc(N)ccc2n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P19 compound treatment 0.418 0.0251 0.92 0.414 0.0221 1.43 1.6603 0.9774 2060965 Enamine_001053 O=C1N(c2cccc3cccc1c23)S(=O)(=O)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P20 compound treatment 0.404 0.0111 0.41 0.408 0.0161 1.04 1.0222 0.916 2060966 Enamine_001054 COc1ccccc1N/C=C\2/C(=O)N(C)C(=O)c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P21 compound treatment 0.425 0.0321 1.18 0.424 0.0321 2.07 2.2997 0.964 1122681 Enamine_001055 C1CN(CCO1)c2csc(c2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P22 compound treatment 0.392 -9.37E-4 -0.03 0.389 -0.00294 -0.19 -0.1588 -0.8218 2060967 Enamine_001056 COc1ccc(NC(=O)c2cn(nc2c3cccnc3)c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P23 mock treatment 0.391 -0.00194 -0.07 0.385 -0.00694 -0.45 -0.3678 -0.8091 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1396 P24 mock treatment 0.375 -0.0179 -0.66 0.373 -0.0189 -1.23 -1.3323 -0.9576 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A01 compound treatment 0.383 -0.00962 -0.35 0.389 -0.00265 -0.17 -0.371 -0.9446 1488286 Enamine_001057 CC(C)(C)OC(=O)Nc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A02 compound treatment 0.397 0.00438 0.16 0.396 0.00435 0.28 0.3129 0.9645 1418913 Enamine_001058 O=C(Cc1ccccc1OC(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A03 compound treatment 0.415 0.0224 0.82 0.413 0.0214 1.38 1.5582 0.9692 2060968 Enamine_001059 OC(=O)/C=C/c1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A04 compound treatment 0.394 0.00138 0.05 0.397 0.00535 0.35 0.2807 0.8017 2060969 Enamine_001060 Nc1cc(ccc1N2CCOCC2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A05 compound treatment 0.386 -0.00662 -0.24 0.38 -0.0116 -0.75 -0.7049 -0.8901 2060970 Enamine_001061 CCN(CC)Cc1cccc2cccnc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A06 compound treatment 0.435 0.0424 1.56 0.43 0.0384 2.48 2.8554 0.9747 2060971 Enamine_001062 OC(=O)/C=C/c1ccc(o1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A07 compound treatment 0.417 0.0244 0.9 0.398 0.00635 0.41 0.9237 0.9377 1015398 Enamine_001063 CC(=C(C#N)C#N)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A08 compound treatment 0.449 0.0564 2.07 0.438 0.0464 3.0 3.585 0.9836 2060972 Enamine_001064 Cc1ccc2nc(sc2c1)c3ccc(NC4=CC(=O)CCC4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A09 compound treatment 0.39 -0.00262 -0.1 0.381 -0.0106 -0.69 -0.5553 -0.7983 1521854 Enamine_001065 NC(=O)COc1ccccc1OCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A10 compound treatment 0.387 -0.00562 -0.21 0.395 0.00335 0.22 0.0074 0.0249 2060973 Enamine_001066 Cc1cc(/C=N/c2ccccc2)c(C)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A11 compound treatment 0.39 -0.00262 -0.1 0.387 -0.00465 -0.3 -0.2807 -0.8893 2060974 Enamine_001067 CCC(CO)N/C=C/1\C(=O)N(C(=O)c2ccccc12)c3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A12 compound treatment 0.558 0.165 6.07 0.531 0.139 9.02 10.6708 0.9815 2060975 Enamine_001068 C/C(=C/1\Sc2ccccc2C1=O)/NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A13 compound treatment 0.397 0.00438 0.16 0.384 -0.00765 -0.49 -0.2362 -0.4541 1734767 Enamine_001069 Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(CCC#N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A14 compound treatment 0.399 0.00638 0.23 0.396 0.00435 0.28 0.3648 0.9958 2060976 Enamine_001070 OCn1c(=S)sc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A15 compound treatment 0.383 -0.00962 -0.35 0.384 -0.00765 -0.49 -0.5998 -0.9864 1045116 Enamine_001071 NC(=O)c1nnn(c1N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A16 compound treatment 0.4 0.00738 0.27 0.401 0.00935 0.61 0.6196 0.9342 2060977 Enamine_001072 Nc1ccccc1C2C(=O)CSC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A17 compound treatment 0.381 -0.0116 -0.43 0.391 -6.45E-4 -0.04 -0.3314 -0.7726 1913537 Enamine_001073 C(Nc1ccccc1)n2nnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A18 compound treatment 0.389 -0.00362 -0.13 0.394 0.00235 0.15 0.0136 0.0673 1415707 Enamine_001074 CC(=O)Nc1ccccc1c2nc3ccccc3[nH]c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A19 compound treatment 0.372 -0.0206 -0.76 0.376 -0.0156 -1.01 -1.2515 -0.9898 2060978 Enamine_001075 Oc1ccccc1/C=N/n2cnnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A20 compound treatment 0.392 -6.25E-4 -0.02 0.383 -0.00865 -0.56 -0.4118 -0.7355 1594525 Enamine_001076 CCCc1nnc(N)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A21 compound treatment 0.382 -0.0106 -0.39 0.389 -0.00265 -0.17 -0.3969 -0.9316 2060979 Enamine_001077 OC(=O)/C=C/c1ccc2OCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A22 compound treatment 0.388 -0.00462 -0.17 0.388 -0.00365 -0.24 -0.2869 -0.987 1401345 Enamine_001078 CC1CCC(CC1)C2NC(=O)c3ccccc3O2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A23 mock treatment 0.391 -0.00162 -0.06 0.384 -0.00765 -0.49 -0.392 -0.7867 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 A24 mock treatment 0.376 -0.0166 -0.61 0.35 -0.0416 -2.69 -2.3373 -0.8459 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B01 compound treatment 0.398 0.00538 0.2 0.414 0.0224 1.45 1.1625 0.7962 2060980 Enamine_001079 COc1ccc(cc1)c2nnco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B02 compound treatment 0.405 0.0124 0.45 0.403 0.0114 0.73 0.8409 0.9733 2060981 Enamine_001080 CC1(C)CC(=CC(=[N+]2CCCCC2)C1)NCCCN3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B03 compound treatment 0.411 0.0184 0.67 0.407 0.0154 0.99 1.1797 0.9822 2060982 Enamine_001081 ClC1(Cl)C(COC(=O)C2CC2)C1COC(=O)C3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B04 compound treatment 0.418 0.0254 0.93 0.416 0.0244 1.58 1.7733 0.9686 1522864 Enamine_001082 COc1ccc(cc1)C(=O)Cn2c(SC)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B05 compound treatment 0.409 0.0164 0.6 0.412 0.0204 1.32 1.3566 0.9369 2060983 Enamine_001083 Cc1nn(c(Cl)c1C(=O)NC2CCS(=O)(=O)C2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B06 compound treatment 0.406 0.0134 0.49 0.401 0.00935 0.61 0.7754 0.9946 2060984 Enamine_001084 FC(F)(F)c1ccc2n(/C=C\NC(=O)c3cc4CCCc4s3)cnc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B07 compound treatment 0.393 3.75E-4 0.01 0.386 -0.00565 -0.37 -0.2486 -0.68 1609994 Enamine_001085 NNc1ccc(Cl)c(c1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B08 compound treatment 0.438 0.0454 1.67 0.429 0.0374 2.42 2.8875 0.9835 2060985 Enamine_001086 O=S1(=O)N=C(Nc2ccccc2)c3ccccc31 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B09 compound treatment 0.412 0.0194 0.71 0.403 0.0114 0.73 1.0227 0.9999 1346957 Enamine_001087 CC(C)C1CCC(C)CC1OCC(O)CN2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B10 compound treatment 0.412 0.0194 0.71 0.407 0.0154 0.99 1.2057 0.9866 2060986 Enamine_001088 OCC(Cc1ccccc1)NC(=O)c2ccccc2C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B11 compound treatment 0.975 0.582 21.39 0.963 0.571 36.97 41.2663 0.9661 2060987 Enamine_001089 CN1/C(=C\C=N\c2cc(C)nn2CCC#N)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B12 compound treatment 0.41 0.0174 0.64 0.4 0.00835 0.54 0.8335 0.9966 1950865 Enamine_001090 CCOC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B13 compound treatment 0.417 0.0244 0.9 0.409 0.0174 1.12 1.4271 0.9937 2060988 Enamine_001091 Cn1cccc1C(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B14 compound treatment 0.406 0.0134 0.49 0.398 0.00635 0.41 0.6381 0.9961 2060989 Enamine_001092 Cc1ccc(c(C)c1N)c2ccc(C)c(N)c2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B15 compound treatment 0.4 0.00738 0.27 0.397 0.00535 0.35 0.4365 0.9926 1362586 Enamine_001093 CCN(CC)c1cccc(OC(=O)c2cccnc2Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B16 compound treatment 0.414 0.0214 0.78 0.409 0.0174 1.12 1.3492 0.9847 2060990 Enamine_001094 Cc1nn(c2ccccc2)c3nc(Cl)c(cc13)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B17 compound treatment 0.425 0.0324 1.19 0.41 0.0184 1.19 1.6805 1.0 1393751 Enamine_001095 O=C(N=c1scc(c2ccccc2)n1c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B18 compound treatment 0.404 0.0114 0.42 0.399 0.00735 0.48 0.6319 0.9979 1716252 Enamine_001096 O=C(N1CCN(CC1)c2ccccc2)c3cc4CCCCc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B19 compound treatment 0.408 0.0154 0.56 0.41 0.0184 1.19 1.2391 0.9422 2060991 Enamine_001097 Clc1c2CCCCc2nn1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B20 compound treatment 0.401 0.00838 0.31 0.4 0.00835 0.54 0.5998 0.9642 2060992 Enamine_001098 Cc1ccc(cc1)c2csc3nc[nH]c(=S)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B21 compound treatment 0.403 0.0104 0.38 0.405 0.0134 0.86 0.8805 0.9323 1298059 Enamine_001099 COc1cccc(NC2CS(=O)(=O)C=C2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B22 compound treatment 0.401 0.00838 0.31 0.399 0.00735 0.48 0.554 0.9777 1322870 Enamine_001100 OC(=O)c1[nH]c2ccccc2c1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B23 mock treatment 0.401 0.00838 0.31 0.398 0.00635 0.41 0.5083 0.9898 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 B24 mock treatment 0.39 -0.00262 -0.1 0.393 0.00135 0.09 -0.0062 -0.0473 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C01 compound treatment 0.376 -0.0166 -0.61 0.378 -0.0136 -0.88 -1.0561 -0.9838 2060993 Enamine_001101 Brc1ccc(/C=C/C(=O)NCCCN2CCOCC2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C02 compound treatment 0.383 -0.00962 -0.35 0.379 -0.0126 -0.82 -0.8285 -0.9295 2060994 Enamine_001102 C1CCC(CC1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C03 compound treatment 0.381 -0.0116 -0.43 0.381 -0.0106 -0.69 -0.789 -0.9735 2060995 Enamine_001103 C(/N=C\c1cn(nc1c2cccnc2)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C04 compound treatment 0.386 -0.00662 -0.24 0.381 -0.0106 -0.69 -0.6591 -0.9022 1173829 Enamine_001104 CCOc1ccc(Br)cc1S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C05 compound treatment 0.385 -0.00762 -0.28 0.38 -0.0116 -0.75 -0.7309 -0.9091 1354682 Enamine_001105 C(N1CCOCC1)c2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C06 compound treatment 0.429 0.0364 1.34 0.424 0.0324 2.09 2.425 0.9764 2060996 Enamine_001106 Brc1ccc(/C=C/C(=O)Nc2ccc(cc2)N3CCOCC3)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C07 compound treatment 0.384 -0.00862 -0.32 0.383 -0.00865 -0.56 -0.6195 -0.9637 1458211 Enamine_001107 COc1ccc(cc1)C(=O)COc2ccccc2OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C08 compound treatment 0.394 0.00138 0.05 0.386 -0.00565 -0.37 -0.2226 -0.6036 2060997 Enamine_001108 COc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C09 compound treatment 0.385 -0.00762 -0.28 0.387 -0.00465 -0.3 -0.4105 -0.9994 1421327 Enamine_001109 COc1cc2CCCC(=O)Cc2c(O)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C10 compound treatment 0.382 -0.0106 -0.39 0.384 -0.00765 -0.49 -0.6257 -0.9931 2060998 Enamine_001110 CCOC(=O)Cc1nc(C)cc(C)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C11 compound treatment 0.382 -0.0106 -0.39 0.379 -0.0126 -0.82 -0.8545 -0.9426 2060999 Enamine_001111 CCN(CC)CCN/C=C/1\C(=O)N(C(=O)c2ccccc12)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C12 compound treatment 0.386 -0.00662 -0.24 0.386 -0.00565 -0.37 -0.4303 -0.9805 1371511 Enamine_001112 Cc1nc(C#N)c(Nc2ccccc2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C13 compound treatment 0.313 -0.0796 -2.92 0.305 -0.0866 -5.61 -6.0323 -0.9539 2061000 Enamine_001113 Cc1cc(O)n(n1)c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C14 compound treatment 0.384 -0.00862 -0.32 0.381 -0.0106 -0.69 -0.7111 -0.9378 1913510 Enamine_001114 NC1=[N+](Cc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C15 compound treatment 0.38 -0.0126 -0.46 0.377 -0.0146 -0.95 -0.998 -0.9459 1783682 Enamine_001115 Nc1c(no[n+]1[O-])c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C16 compound treatment 0.384 -0.00862 -0.32 0.392 3.55E-4 0.02 -0.2077 -0.6541 2061001 Enamine_001116 C(=N/n1cnnc1)\c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C17 compound treatment 0.386 -0.00662 -0.24 0.39 -0.00165 -0.11 -0.2473 -0.9313 1026325 Enamine_001117 CSc1nc(C)cc(O)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C18 compound treatment 0.436 0.0434 1.59 0.437 0.0454 2.93 3.2016 0.9588 2061002 Enamine_001118 O/C(=C\c1ccc2ccccc2n1)/c3ccc(O)cc3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C19 compound treatment 0.38 -0.0126 -0.46 0.381 -0.0106 -0.69 -0.8149 -0.9814 1047100 Enamine_001119 Cc1cc(C(=O)N)c2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C20 compound treatment 0.375 -0.0176 -0.65 0.378 -0.0136 -0.88 -1.082 -0.9883 2061003 Enamine_001120 Cc1n[nH]c(n1)c2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C21 compound treatment 0.339 -0.0536 -1.97 0.343 -0.0486 -3.15 -3.6184 -0.9745 1259708 Enamine_001121 COc1ccc2[nH]c3c(ncnc3c2c1)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C22 compound treatment 0.383 -0.00962 -0.35 0.374 -0.0176 -1.14 -1.0573 -0.8846 1079000 Enamine_001122 CC1CCCC(C)N1CC(O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C23 mock treatment 0.378 -0.0146 -0.54 0.372 -0.0196 -1.27 -1.2787 -0.9265 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 C24 mock treatment 0.366 -0.0266 -0.98 0.373 -0.0186 -1.21 -1.5445 -0.9946 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D01 compound treatment 0.4 0.00738 0.27 0.399 0.00735 0.48 0.528 0.9643 2061004 Enamine_001123 Cc1ccc(cc1)n2cnnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D02 compound treatment 0.393 3.75E-4 0.01 0.396 0.00435 0.28 0.209 0.7408 1451601 Enamine_001124 Cc1cc(C)n2nc(Nc3ccccc3)cc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D03 compound treatment 0.402 0.00938 0.34 0.41 0.0184 1.19 1.0833 0.876 1312876 Enamine_001125 O=C(C(C#N)c1nc2ccccc2s1)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D04 compound treatment 0.391 -0.00162 -0.06 0.408 0.0164 1.06 0.7062 0.6662 1709469 Enamine_001126 COC(=O)C(C)NC(=O)c1cn(nc1c2ccc(F)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D05 compound treatment 0.416 0.0234 0.86 0.422 0.0304 1.96 1.9959 0.9311 1232103 Enamine_001127 Clc1ccc(cc1)c2cc([nH]n2)n3cnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D06 compound treatment 0.458 0.0654 2.4 0.459 0.0674 4.36 4.7796 0.9605 2061005 Enamine_001128 COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D07 compound treatment 0.403 0.0104 0.38 0.402 0.0104 0.67 0.7432 0.9642 1439052 Enamine_001129 NC(=O)c1c2CCCCc2nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D08 compound treatment 0.407 0.0144 0.53 0.409 0.0174 1.12 1.1674 0.9407 1403999 Enamine_001130 O=C(Nc1nc(cs1)c2ccccc2)C3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D09 compound treatment 0.418 0.0254 0.93 0.413 0.0214 1.38 1.6361 0.9816 2061006 Enamine_001131 CCC(=O)Nc1nc(cs1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D10 compound treatment 0.396 0.00338 0.12 0.396 0.00435 0.28 0.2869 0.9319 2061007 Enamine_001132 CCC(CO)NC(=O)c1ccccc1C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D11 compound treatment 0.397 0.00438 0.16 0.4 0.00835 0.54 0.4959 0.8792 1306094 Enamine_001133 COC(=O)c1ccc2c(=O)nc3-c4ccccc4Cn3c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D12 compound treatment 0.404 0.0114 0.42 0.403 0.0114 0.73 0.8149 0.9642 2061008 Enamine_001134 COc1nc(C)nc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D13 compound treatment 0.407 0.0144 0.53 0.393 0.00135 0.09 0.4353 0.8134 1367368 Enamine_001135 OC(=O)Cc1cn2ccsc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D14 compound treatment 0.539 0.146 5.38 0.532 0.14 9.08 10.2232 0.9687 2061009 Enamine_001136 Fc1ccc(cc1)c2ccc(/C=C\C(=O)Nc3ccc(cc3)N4CCOCC4)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D15 compound treatment 0.423 0.0304 1.12 0.415 0.0234 1.51 1.8574 0.9888 2061010 Enamine_001137 CCN(CC)c1cccc(OC(=O)/C=C/c2ccco2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D16 compound treatment 0.445 0.0524 1.92 0.439 0.0474 3.06 3.5269 0.9748 1189658 Enamine_001138 CC(C)n1cc(OC(=O)C)c2c3nc4ccccc4n3c(C)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D17 compound treatment 0.434 0.0414 1.52 0.432 0.0404 2.61 2.9209 0.9668 2061011 Enamine_001139 Clc1ccc(cc1)C(CC(=O)c2cccs2)S(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D18 compound treatment 0.405 0.0124 0.45 0.406 0.0144 0.93 0.9782 0.9459 1250838 Enamine_001140 CC(C)Oc1cc2oc(=O)cc(C)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D19 compound treatment 0.396 0.00338 0.12 0.407 0.0154 0.99 0.7902 0.7892 2061012 Enamine_001141 Cc1cc2c(=O)oc(nc2s1)c3cccc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D20 compound treatment 0.408 0.0154 0.56 0.399 0.00735 0.48 0.7358 0.9964 2061013 Enamine_001142 FC(F)(F)Sc1ccccc1NC(=O)c2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D21 compound treatment 0.391 -0.00162 -0.06 0.396 0.00435 0.28 0.1571 0.5453 1305616 Enamine_001143 OC(=O)CC(NC(=O)c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D22 compound treatment 0.392 -6.25E-4 -0.02 0.392 3.55E-4 0.02 0.0 2.0E-4 2061014 Enamine_001144 CC(=O)OCC1C(COC(=O)C)C1(Cl)Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D23 mock treatment 0.391 -0.00162 -0.06 0.394 0.00235 0.15 0.0656 0.4006 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 D24 mock treatment 0.386 -0.00662 -0.24 0.391 -6.45E-4 -0.04 -0.2015 -0.8165 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E01 compound treatment 0.398 0.00538 0.2 0.391 -6.45E-4 -0.04 0.11 0.5455 2061015 Enamine_001145 OCc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E02 compound treatment 0.405 0.0124 0.45 0.402 0.0104 0.67 0.7952 0.9821 1166581 Enamine_001146 C1CCc2nnc(c3c[nH]c4ccccc34)n2CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E03 compound treatment 0.399 0.00638 0.23 0.399 0.00735 0.48 0.5021 0.9466 2061016 Enamine_001147 CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccccc2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E04 compound treatment 0.451 0.0584 2.14 0.438 0.0464 3.0 3.6369 0.9864 1340610 Enamine_001148 Cn1c(nc2ccccc12)C(C#N)C(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E05 compound treatment 0.375 -0.0176 -0.65 0.375 -0.0166 -1.08 -1.2193 -0.9703 1641051 Enamine_001149 Oc1ccccc1OCC(=O)Nc2ccccc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E06 compound treatment 0.403 0.0104 0.38 0.399 0.00735 0.48 0.6059 0.9939 1667389 Enamine_001150 COc1cccc(C(O)c2nccn2Cc3ccccc3)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E07 compound treatment 0.406 0.0134 0.49 0.477 0.0854 5.52 4.253 0.767 2061017 Enamine_001151 C/C(=N/O)/Cc1ccccc1OC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E08 compound treatment 0.413 0.0204 0.75 0.405 0.0134 0.86 1.1402 0.9974 1427618 Enamine_001152 CCN1CCN(CC1)C(=O)C(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E09 compound treatment 0.402 0.00938 0.34 0.4 0.00835 0.54 0.6257 0.9762 2061018 Enamine_001153 CC(CC#N)C(=O)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E10 compound treatment 0.421 0.0284 1.04 0.412 0.0204 1.32 1.6682 0.9933 1084077 Enamine_001154 Cc1cc2ccccn2c1C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E11 compound treatment 0.42 0.0274 1.01 0.424 0.0324 2.09 2.1913 0.9435 2061019 Enamine_001155 FC1(F)C(N(C1=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E12 compound treatment 0.406 0.0134 0.49 0.405 0.0134 0.86 0.9584 0.9641 2061020 Enamine_001156 CC(C)C/1C/C(=N/O)/C(C)C\C1=N/O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E13 compound treatment 0.407 0.0144 0.53 0.397 0.00535 0.35 0.6183 0.9792 2061021 Enamine_001157 C=CCNc1scc(c2ccccc2)[n+]1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E14 compound treatment 0.399 0.00638 0.23 0.396 0.00435 0.28 0.3648 0.9958 2061022 Enamine_001158 Cc1cc(C)n(n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E15 compound treatment 0.405 0.0124 0.45 0.395 0.00335 0.22 0.4748 0.9428 2061023 Enamine_001159 O/N=C/C(=N/O)/c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E16 compound treatment 0.419 0.0264 0.97 0.419 0.0274 1.77 1.9366 0.9597 1567628 Enamine_001160 O=c1c(=Cc2ccccc2)sc3nc4ccccc4n13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E17 compound treatment 0.403 0.0104 0.38 0.409 0.0174 1.12 1.0635 0.8968 2061024 Enamine_001161 Cc1nc(CC#N)cs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E18 compound treatment 0.412 0.0194 0.71 0.413 0.0214 1.38 1.4803 0.9524 2061025 Enamine_001162 COc1ccc(/C=C/C(=O)N2CCCc3ccccc23)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E19 compound treatment 0.393 3.75E-4 0.01 0.386 -0.00565 -0.37 -0.2486 -0.68 2061026 Enamine_001163 C/N=C/c1c[nH]c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E20 compound treatment 0.399 0.00638 0.23 0.404 0.0124 0.8 0.7309 0.8773 1445834 Enamine_001164 OC1(CC(=O)c2ccccc2)C(=O)c3ccccc3C1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E21 compound treatment 0.396 0.00338 0.12 0.4 0.00835 0.54 0.4699 0.8472 1485662 Enamine_001165 CCC(C)C(NC(=O)c1ccccc1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E22 compound treatment 0.398 0.00538 0.2 0.393 0.00135 0.09 0.2016 0.9333 1522608 Enamine_001166 CC(C)(C)SC(C(=O)N1CCOCC1)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E23 mock treatment 0.392 -6.25E-4 -0.02 0.395 0.00335 0.22 0.1373 0.6288 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 E24 mock treatment 0.398 0.00538 0.2 0.394 0.00235 0.15 0.2473 0.9918 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F01 compound treatment 0.406 0.0134 0.49 0.406 0.0144 0.93 1.0042 0.9556 1402908 Enamine_001167 Cc1ccc(NC(=O)c2snc3ccc(Cl)cc23)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F02 compound treatment 0.407 0.0144 0.53 0.402 0.0104 0.67 0.8471 0.993 2061027 Enamine_001168 C/C(=C\C#N)/Nc1cccc(c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F03 compound treatment 0.427 0.0344 1.26 0.426 0.0344 2.22 2.4646 0.964 1639265 Enamine_001169 O=C(C(C#N)c1nc2ccccc2[nH]1)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F04 compound treatment 0.408 0.0154 0.56 0.415 0.0234 1.51 1.4679 0.9099 2061028 Enamine_001170 Nc1ccccc1OCCOc2ccccc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F05 compound treatment 0.405 0.0124 0.45 0.401 0.00935 0.61 0.7494 0.99 2061029 Enamine_001171 O/N=C(/Cc1ccc2ccccc2n1)\c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F06 compound treatment 0.405 0.0124 0.45 0.405 0.0134 0.86 0.9324 0.955 2061030 Enamine_001172 Cc1noc2[nH]c(=O)cc(c12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F07 compound treatment 0.43 0.0374 1.37 0.425 0.0334 2.16 2.4967 0.9761 2061031 Enamine_001173 OC(=O)/C=C/c1ccc(Br)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F08 compound treatment 0.416 0.0234 0.86 0.408 0.0164 1.06 1.3553 0.9946 2061032 Enamine_001174 CN(C)CCNC(=O)c1c(C)nn(c1Cl)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F09 compound treatment 0.399 0.00638 0.23 0.413 0.0214 1.38 1.1427 0.8153 1432921 Enamine_001175 CCN1CCN(CC(O)COc2ccccc2CC=C)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F10 compound treatment 0.417 0.0244 0.9 0.406 0.0144 0.93 1.2898 0.9998 2061033 Enamine_001176 COc1ccccc1NC(=O)c2c(C)nn(c2Cl)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F11 compound treatment 0.402 0.00938 0.34 0.411 0.0194 1.25 1.1291 0.8692 2061034 Enamine_001177 NS(=O)(=O)c1ccc(F)cc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F12 compound treatment 0.424 0.0314 1.15 0.426 0.0344 2.22 2.3867 0.9532 1917667 Enamine_001178 Cc1csc(=N)n1c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F13 compound treatment 0.786 0.393 14.45 0.762 0.37 23.97 27.1613 0.9706 1126292 Enamine_001179 Cc1cc2ccccn2c1C(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F14 compound treatment 0.407 0.0144 0.53 0.407 0.0154 0.99 1.0759 0.9562 1079144 Enamine_001180 Cc1c(CCO)sc[n+]1Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F15 compound treatment 0.408 0.0154 0.56 0.419 0.0274 1.77 1.6509 0.8885 2061035 Enamine_001181 CCOC(=O)c1cc(C)n(C)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F16 compound treatment 0.407 0.0144 0.53 0.412 0.0204 1.32 1.3047 0.9194 2061036 Enamine_001182 O/C(=C(/C#N)\c1nnc2CCCCCn12)/C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F17 compound treatment 0.419 0.0264 0.97 0.422 0.0304 1.96 2.0738 0.9469 2061037 Enamine_001183 CCCc1nc2ccccc2n1C(=S)SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F18 compound treatment 0.515 0.122 4.49 0.505 0.113 7.34 8.3645 0.9723 2061038 Enamine_001184 CCOC(=O)/C=C/c1ccc(o1)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F19 compound treatment 0.48 0.0874 3.21 0.472 0.0804 5.2 5.9457 0.9731 2061039 Enamine_001185 COC(=O)/C=C/c1cn(nc1c2ccc(F)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F20 compound treatment 0.411 0.0184 0.67 0.41 0.0184 1.19 1.317 0.9641 2061040 Enamine_001186 CN1/C(=C\C(=O)NC2CCCCC2)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F21 compound treatment 0.402 0.00938 0.34 0.404 0.0124 0.8 0.8088 0.9291 1475886 Enamine_001187 OC(=O)C1(CCC2(CC1)C(=O)O)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F22 compound treatment 0.399 0.00638 0.23 0.406 0.0144 0.93 0.8224 0.8585 1740558 Enamine_001188 OC(=O)c1ccc2c(=O)nc3-c4ccccc4Cn3c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F23 mock treatment 0.409 0.0164 0.6 0.397 0.00535 0.35 0.6702 0.9657 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 F24 mock treatment 0.394 0.00138 0.05 0.399 0.00735 0.48 0.3722 0.7778 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G01 compound treatment 0.393 3.75E-4 0.01 0.387 -0.00465 -0.3 -0.2028 -0.674 1261843 Enamine_001189 COC(=O)c1c2CCCCc2nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G02 compound treatment 0.397 0.00438 0.16 0.402 0.0104 0.67 0.5874 0.8525 2061041 Enamine_001190 COc1ccc(/C=C/C(=O)N2CCCC2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G03 compound treatment 0.388 -0.00462 -0.17 0.393 0.00135 0.09 -0.0581 -0.304 1719213 Enamine_001191 CC(C)(C)N1CC(C1)OC(=O)CCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G04 compound treatment 0.401 0.00838 0.31 0.407 0.0154 0.99 0.9201 0.8846 1137961 Enamine_001192 O=c1cc(oc2ccccc12)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G05 compound treatment 0.392 -6.25E-4 -0.02 0.398 0.00635 0.41 0.2746 0.6666 1260445 Enamine_001193 OC(=O)COc1cc(Cl)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G06 compound treatment 0.402 0.00938 0.34 0.406 0.0144 0.93 0.9003 0.9088 1147333 Enamine_001194 Cc1nc(=O)cc(c2ccccc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G07 compound treatment 0.399 0.00638 0.23 0.393 0.00135 0.09 0.2275 0.9102 1435097 Enamine_001195 Oc1ccccc1OCC(=O)Nc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G08 compound treatment 0.419 0.0264 0.97 0.407 0.0154 0.99 1.3875 0.9999 1536434 Enamine_001196 CCN(C(=O)COc1ccc(Cl)cc1Cl)c2cccc(C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G09 compound treatment 0.404 0.0114 0.42 0.406 0.0144 0.93 0.9522 0.9349 1415719 Enamine_001197 CC(C)CCNC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G10 compound treatment 0.422 0.0294 1.08 0.413 0.0214 1.38 1.7399 0.9925 2061042 Enamine_001198 Cc1cc2ccccn2c1CCC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G11 compound treatment 0.402 0.00938 0.34 0.394 0.00235 0.15 0.3512 0.9328 1560565 Enamine_001199 CC1N(C)c2cc(NC(=O)c3ccco3)ccc2C1(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G12 compound treatment 0.406 0.0134 0.49 0.41 0.0184 1.19 1.1872 0.9237 2061043 Enamine_001200 COC(=O)c1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G13 compound treatment 0.406 0.0134 0.49 0.401 0.00935 0.61 0.7754 0.9946 1120252 Enamine_001201 OC(=O)C(C#N)C1C(=O)Nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G14 compound treatment 0.398 0.00538 0.2 0.399 0.00735 0.48 0.4761 0.924 1045998 Enamine_001202 Cc1cc([nH]n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G15 compound treatment 0.395 0.00238 0.09 0.395 0.00335 0.22 0.2152 0.9197 1731884 Enamine_001203 Nn1cc(nn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G16 compound treatment 0.372 -0.0206 -0.76 0.365 -0.0266 -1.72 -1.7548 -0.9318 2061044 Enamine_001204 N#CCc1nc2ccccc2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G17 compound treatment 0.412 0.0194 0.71 0.406 0.0144 0.93 1.1599 0.9913 1051764 Enamine_001205 C(c1nc2ccccc2[nH]1)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G18 compound treatment 0.453 0.0604 2.22 0.453 0.0614 3.97 4.3752 0.9621 1372184 Enamine_001206 CC1Cc2ccccc2N1C(=O)C3CCCCN3S(=O)(=O)c4ccc(Cl)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G19 compound treatment 0.454 0.0614 2.25 0.448 0.0564 3.65 4.1724 0.9732 1915354 Enamine_001207 Cc1nc2nc(cn2nc1C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G20 compound treatment 0.428 0.0354 1.3 0.433 0.0414 2.68 2.8109 0.9449 1710364 Enamine_001208 CN(C)c1ccc(cc1)C2(O)C(=O)c3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G21 compound treatment 0.38 -0.0126 -0.46 0.381 -0.0106 -0.69 -0.8149 -0.9814 1406102 Enamine_001209 COc1ccccc1NC(=O)COc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G22 compound treatment 0.396 0.00338 0.12 0.398 0.00635 0.41 0.3784 0.8811 1594315 Enamine_001210 CN(C)c1ccc(NC(=O)c2c3CCCCc3nc4ccccc24)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G23 mock treatment 0.39 -0.00262 -0.1 0.39 -0.00165 -0.11 -0.1434 -0.9988 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 G24 mock treatment 0.396 0.00338 0.12 0.412 0.0204 1.32 1.019 0.7702 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H01 compound treatment 0.4 0.00738 0.27 0.399 0.00735 0.48 0.528 0.9643 1355771 Enamine_001211 CN(C(=O)c1snc2ccc(Cl)cc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H02 compound treatment 0.402 0.00938 0.34 0.409 0.0174 1.12 1.0376 0.8833 2061045 Enamine_001212 CC1(C)CC(=CC(=C(C#N)C#N)C1)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H03 compound treatment 0.395 0.00238 0.09 0.399 0.00735 0.48 0.3982 0.823 1197517 Enamine_001213 CCC(=O)OC1(C)CC2CC(CN(C2)C(=O)C3CCCCC3)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H04 compound treatment 0.434 0.0414 1.52 0.427 0.0354 2.29 2.6921 0.9802 2061046 Enamine_001214 Cc1nn(CCC#N)c2nc(cc(c12)C(F)(F)F)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H05 compound treatment 0.399 0.00638 0.23 0.405 0.0134 0.86 0.7766 0.8674 2061047 Enamine_001215 CCCN(CCC)C(=O)/C=C/c1ccc(OC)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H06 compound treatment 0.419 0.0264 0.97 0.423 0.0314 2.03 2.1196 0.9427 2061048 Enamine_001216 COC(=O)c1cc2c(cc(=O)[nH]c2s1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H07 compound treatment 0.405 0.0124 0.45 0.408 0.0164 1.06 1.0697 0.9287 1003157 Enamine_001217 CC(=O)Nc1ccc(cc1)S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H08 compound treatment 0.616 0.223 8.2 0.604 0.212 13.74 15.5172 0.9696 2061049 Enamine_001218 CN(C)c1ccc(/C=C/2\CCCC(=C3SCCS3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H09 compound treatment 0.403 0.0104 0.38 0.4 0.00835 0.54 0.6517 0.9853 2061050 Enamine_001219 FC(F)(F)c1ccc(Cl)c(NC(=O)/C(=C\2/CCCN2)/C#N)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H10 compound treatment 0.4 0.00738 0.27 0.4 0.00835 0.54 0.5738 0.9489 2061051 Enamine_001220 Cc1nn(c(Cl)c1C(=O)NCc2ccco2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H11 compound treatment 0.394 0.00138 0.05 0.395 0.00335 0.22 0.1892 0.8489 2061052 Enamine_001221 FC(F)(F)c1ccc2n(/C=C/NC(=O)c3cccs3)cnc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H12 compound treatment 0.394 0.00138 0.05 0.398 0.00635 0.41 0.3265 0.788 1203211 Enamine_001222 ONC(=O)CSc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H13 compound treatment 0.454 0.0614 2.25 0.439 0.0474 3.06 3.7606 0.9886 2061053 Enamine_001223 Clc1ccc(OCC(=O)Nc2ccc(cc2)N3CCOCC3)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H14 compound treatment 0.397 0.00438 0.16 0.395 0.00335 0.22 0.2671 0.989 2061054 Enamine_001224 C[n+]1c(oc2ccc3[nH]ccc3c12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H15 compound treatment 0.433 0.0404 1.48 0.45 0.0584 3.78 3.7186 0.9166 2061055 Enamine_001225 CN(C)c1cccc(c1)C(=O)N/C=C/n2cnc3cc(ccc23)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H16 compound treatment 0.415 0.0224 0.82 0.417 0.0254 1.64 1.7412 0.9489 2061056 Enamine_001226 CCO/C=C/1\C(=O)N(C(=O)c2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H17 compound treatment 0.574 0.181 6.66 0.57 0.178 11.54 12.8708 0.9659 1782590 Enamine_001227 COc1cc(/C=C/C2=NC(=O)C(C)(C)O2)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H18 compound treatment 0.398 0.00538 0.2 0.402 0.0104 0.67 0.6134 0.8781 2061057 Enamine_001228 Cc1nc(NCCCn2ccnc2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H19 compound treatment 0.418 0.0254 0.93 0.414 0.0224 1.45 1.6818 0.9774 2061058 Enamine_001229 COc1ccc(cc1)N/2Cc3ccccc3\C2=N\C(=O)c4ccncc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H20 compound treatment 0.401 0.00838 0.31 0.392 3.55E-4 0.02 0.2337 0.7578 1004500 Enamine_001230 OC(=O)c1cc(O)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H21 compound treatment 0.566 0.173 6.37 0.57 0.178 11.54 12.6631 0.9607 2061059 Enamine_001231 CN1C(=O)/C(=C\NN(c2ccccc2)c3ccccc3)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H22 compound treatment 0.404 0.0114 0.42 0.402 0.0104 0.67 0.7692 0.9741 1605976 Enamine_001232 O=C(CCC1CCCCC1)Nc2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H23 mock treatment 0.396 0.00338 0.12 0.403 0.0114 0.73 0.6072 0.8149 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 H24 mock treatment 0.401 0.00838 0.31 0.386 -0.00565 -0.37 -0.0408 -0.0855 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I01 compound treatment 0.423 0.0304 1.12 0.421 0.0294 1.9 2.132 0.9678 1667694 Enamine_001233 COc1ccc(cc1)c2csc(n2)c3ccc(O)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I02 compound treatment 0.407 0.0144 0.53 0.409 0.0174 1.12 1.1674 0.9407 1228545 Enamine_001234 CC(=O)Nc1cc(N)nnc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I03 compound treatment 0.408 0.0154 0.56 0.411 0.0194 1.25 1.2849 0.9352 2061060 Enamine_001235 C1CN=C(C1)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I04 compound treatment 0.402 0.00938 0.34 0.4 0.00835 0.54 0.6257 0.9762 1725844 Enamine_001236 O=C(NC1CCS(=O)(=O)C1)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I05 compound treatment 0.408 0.0154 0.56 0.415 0.0234 1.51 1.4679 0.9099 1625599 Enamine_001237 COc1ccc(cc1)C(=O)Cc2ccccc2OC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I06 compound treatment 0.407 0.0144 0.53 0.411 0.0194 1.25 1.2589 0.9262 2061061 Enamine_001238 Cn1cc(/C=N/c2ccccc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I07 compound treatment 0.392 -6.25E-4 -0.02 0.394 0.00235 0.15 0.0915 0.5939 1182818 Enamine_001239 Cc1ccc(cc1)C(=O)Cc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I08 compound treatment 0.412 0.0194 0.71 0.406 0.0144 0.93 1.1599 0.9913 2061062 Enamine_001240 CCOC(=O)Cc1cn2ccsc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I09 compound treatment 0.461 0.0684 2.51 0.461 0.0694 4.49 4.949 0.9623 1417262 Enamine_001241 Cc1ccccc1OCC(=O)Nc2ccccc2Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I10 compound treatment 0.383 -0.00962 -0.35 0.384 -0.00765 -0.49 -0.5998 -0.9864 2061063 Enamine_001242 NC(=N)SCc1cn(nc1c2ccc(Br)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I11 compound treatment 0.422 0.0294 1.08 0.425 0.0334 2.16 2.289 0.9486 1385621 Enamine_001243 CC1N(C)c2cc(NC(=O)c3cccs3)ccc2C1(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I12 compound treatment 0.407 0.0144 0.53 0.404 0.0124 0.8 0.9386 0.9797 1113036 Enamine_001244 CCOC(=O)c1c(C)[nH]c2ccc(O)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I13 compound treatment 0.408 0.0154 0.56 0.408 0.0164 1.06 1.1476 0.9567 2061064 Enamine_001245 Cc1nc2cccc[n+]2c(c1C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I14 compound treatment 0.407 0.0144 0.53 0.403 0.0114 0.73 0.8928 0.9868 1424695 Enamine_001246 C(N1CCCCC1)n2nnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I15 compound treatment 0.397 0.00438 0.16 0.404 0.0124 0.8 0.6789 0.8326 1404977 Enamine_001247 N(c1c[nH]nn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I16 compound treatment 0.414 0.0214 0.78 0.415 0.0234 1.51 1.6237 0.9534 2061065 Enamine_001248 Oc1ccccc1/C=N/c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I17 compound treatment 0.411 0.0184 0.67 0.41 0.0184 1.19 1.317 0.9641 1046757 Enamine_001249 C(c1nnc2ccccn12)c3nnc4ccccn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I18 compound treatment 0.421 0.0284 1.04 0.418 0.0264 1.71 1.9427 0.9721 2061066 Enamine_001250 BrCC1=C(C#N)C2(CCCCC2)C(=C(CBr)N1)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I19 compound treatment 0.401 0.00838 0.31 0.409 0.0174 1.12 1.0116 0.8688 1055576 Enamine_001251 N#CC1(CCCCC1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I20 compound treatment 0.445 0.0524 1.92 0.444 0.0524 3.39 3.7556 0.964 1363162 Enamine_001252 CCN(CC)c1ccc(cc1)C2(O)C(=O)c3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I21 compound treatment 0.445 0.0524 1.92 0.44 0.0484 3.13 3.5726 0.9727 2061067 Enamine_001253 O=C1CC(=Nc2ccccc2N1)/C=C/c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I22 compound treatment 0.405 0.0124 0.45 0.415 0.0234 1.51 1.39 0.8808 1670728 Enamine_001254 Cc1ccc(cn1)C(O)CN 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I23 mock treatment 0.404 0.0114 0.42 0.398 0.00635 0.41 0.5862 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 I24 mock treatment 0.402 0.00938 0.34 0.391 -6.45E-4 -0.04 0.2139 0.6168 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J01 compound treatment 0.395 0.00238 0.09 0.393 0.00135 0.09 0.1237 1.0 1547110 Enamine_001255 Clc1ccc2nsc(C(=O)N3CCN(CC3)c4ccccc4)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J02 compound treatment 0.388 -0.00462 -0.17 0.395 0.00335 0.22 0.0334 0.1212 2061068 Enamine_001256 CC1(C)CC(=CC(=C(C#N)C#N)C1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J03 compound treatment 0.404 0.0114 0.42 0.402 0.0104 0.67 0.7692 0.9741 2061069 Enamine_001257 Cc1ccc(C)n1c2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J04 compound treatment 0.398 0.00538 0.2 0.398 0.00635 0.41 0.4304 0.9435 1726340 Enamine_001258 CCN(CC)S(=O)(=O)c1ccc2n3CCCCCc3nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J05 compound treatment 0.475 0.0824 3.02 0.471 0.0794 5.14 5.7701 0.9682 2061070 Enamine_001259 COc1ccc(/C=C\2/N=C(OC2=O)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J06 compound treatment 0.432 0.0394 1.45 0.426 0.0344 2.22 2.5944 0.9783 2061071 Enamine_001260 Cc1noc2nc(cc(c12)C(F)(F)F)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J07 compound treatment 0.305 -0.0876 -3.22 0.297 -0.0946 -6.12 -6.6061 -0.9548 1073775 Enamine_001261 NNc1cccc(c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J08 compound treatment 0.397 0.00438 0.16 0.397 0.00535 0.35 0.3586 0.9389 2061072 Enamine_001262 CN/C(=N\c1cc(C)nn1CCC#N)/c2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J09 compound treatment 0.398 0.00538 0.2 0.393 0.00135 0.09 0.2016 0.9333 2061073 Enamine_001263 ClC(=Cn1nnnc1c2ccccc2)Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J10 compound treatment 0.39 -0.00262 -0.1 0.392 3.55E-4 0.02 -0.0519 -0.524 2061074 Enamine_001264 CC1=Nc2c(c(C)nn2c3ccccc3)C(O1)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J11 compound treatment 0.402 0.00938 0.34 0.398 0.00635 0.41 0.5342 0.9961 2061075 Enamine_001265 CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J12 compound treatment 0.393 3.75E-4 0.01 0.394 0.00235 0.15 0.1175 0.7679 2061076 Enamine_001266 Cc1nc2ccccc2n1CO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J13 compound treatment 0.39 -0.00262 -0.1 0.401 0.00935 0.61 0.3599 0.5871 2061077 Enamine_001267 C=CC[n+]1c2CCCCCn2c3ccccc3c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J14 compound treatment 0.403 0.0104 0.38 0.405 0.0134 0.86 0.8805 0.9323 1160334 Enamine_001268 COC(=O)c1c(C)n2Cc3ccccc3Cc2c1C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J15 compound treatment 0.546 0.153 5.63 0.504 0.112 7.27 9.1237 0.992 1335052 Enamine_001269 Cc1cc(N2CCOCC2)c3c(N)c(C)cc(C)c3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J16 compound treatment 0.44 0.0474 1.74 0.449 0.0574 3.71 3.8546 0.9404 2061078 Enamine_001270 O=C/1N(C(=O)c2ccccc2\C1=C\Nc3ccccn3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J17 compound treatment 0.41 0.0174 0.64 0.405 0.0134 0.86 1.0623 0.9889 2061079 Enamine_001271 COC(=O)c1cc2c(cc(nc2s1)c3ccccc3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J18 compound treatment 0.393 3.75E-4 0.01 0.39 -0.00165 -0.11 -0.0655 -0.6106 1340223 Enamine_001272 Cc1nc(NCc2ccccn2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J19 compound treatment 0.41 0.0174 0.64 0.403 0.0114 0.73 0.9707 0.9975 1588079 Enamine_001273 Clc1cc(Cl)cc(c1)C(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J20 compound treatment 0.399 0.00638 0.23 0.396 0.00435 0.28 0.3648 0.9958 1602707 Enamine_001274 CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J21 compound treatment 0.398 0.00538 0.2 0.403 0.0114 0.73 0.6591 0.8663 1144451 Enamine_001275 CN(C)c1ccc(NC(=C2C(=O)c3ccccc3C2=O)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J22 compound treatment 0.389 -0.00362 -0.13 0.39 -0.00165 -0.11 -0.1694 -0.9939 2061080 Enamine_001276 Cc1ccc(cc1F)S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J23 mock treatment 0.394 0.00138 0.05 0.388 -0.00365 -0.24 -0.1311 -0.5434 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 J24 mock treatment 0.392 -6.25E-4 -0.02 0.389 -0.00265 -0.17 -0.1373 -0.7948 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K01 compound treatment 0.381 -0.0116 -0.43 0.382 -0.00965 -0.62 -0.7432 -0.9828 1693061 Enamine_001277 Oc1cccc(Nc2nc(cs2)c3ccc(F)cc3F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K02 compound treatment 0.404 0.0114 0.42 0.412 0.0204 1.32 1.2268 0.8878 2061081 Enamine_001278 CCSc1nc(c(cc1C#N)C(=O)c2ccccc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K03 compound treatment 0.392 -6.25E-4 -0.02 0.398 0.00635 0.41 0.2746 0.6666 2061082 Enamine_001279 CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K04 compound treatment 0.463 0.0704 2.58 0.454 0.0624 4.04 4.6806 0.9768 2061083 Enamine_001280 CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)/C(=O)NCc3ccco3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K05 compound treatment 0.401 0.00838 0.31 0.411 0.0194 1.25 1.1031 0.8553 1313437 Enamine_001281 CC(=C)Oc1ccccc1OCC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K06 compound treatment 0.411 0.0184 0.67 0.418 0.0264 1.71 1.6831 0.9177 2061084 Enamine_001282 CN(C)c1ccc(/N=C/c2cccn2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K07 compound treatment 0.385 -0.00762 -0.28 0.393 0.00135 0.09 -0.136 -0.4635 2061085 Enamine_001283 Cc1ccc(cc1)/C(=N\O)/COc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K08 compound treatment 0.464 0.0714 2.62 0.476 0.0844 5.46 5.7133 0.9435 2061086 Enamine_001284 OC(=O)CSc1ccc(Br)c2cccc(Cl)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K09 compound treatment 0.396 0.00338 0.12 0.398 0.00635 0.41 0.3784 0.8811 2061087 Enamine_001285 CCOc1ccc(cc1)C(=O)CNC2=NCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K10 compound treatment 0.405 0.0124 0.45 0.411 0.0194 1.25 1.207 0.9059 1112556 Enamine_001286 COC1(C)COC(C)(CO1)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K11 compound treatment 0.394 0.00138 0.05 0.398 0.00635 0.41 0.3265 0.788 1678077 Enamine_001287 Cc1cc(NC(=O)c2ccccc2)n(CCOC(=O)c3ccccc3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K12 compound treatment 0.409 0.0164 0.6 0.405 0.0134 0.86 1.0363 0.9843 1276452 Enamine_001288 CCOC(=O)c1c(C)nc2CC(C)(C)CC(=O)c2c1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K13 compound treatment 0.395 0.00238 0.09 0.405 0.0134 0.86 0.6728 0.7745 1320082 Enamine_001289 Nc1nc(cn1Nc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K14 compound treatment 0.408 0.0154 0.56 0.406 0.0144 0.93 1.0561 0.9715 1919512 Enamine_001290 COc1ccc(NCn2nnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K15 compound treatment 0.404 0.0114 0.42 0.405 0.0134 0.86 0.9065 0.9444 2061088 Enamine_001291 COc1ccc(cc1)c2csc3nc(C)cc(C)[n+]23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K16 compound treatment 0.404 0.0114 0.42 0.411 0.0194 1.25 1.181 0.8945 2061089 Enamine_001292 C(=C/c1ccccc1)\C=N\[n+]2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K17 compound treatment 0.402 0.00938 0.34 0.4 0.00835 0.54 0.6257 0.9762 2061090 Enamine_001293 Nc1nccc(n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K18 compound treatment 0.429 0.0364 1.34 0.404 0.0124 0.8 1.5099 0.9699 2061091 Enamine_001294 Nc1sc2ccccc2[n+]1CC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K19 compound treatment 0.396 0.00338 0.12 0.393 0.00135 0.09 0.1496 0.9856 2061092 Enamine_001295 C/C(=N/n1cnnc1)/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K20 compound treatment 0.399 0.00638 0.23 0.402 0.0104 0.67 0.6394 0.9008 1922131 Enamine_001296 CC[n+]1ccsc1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K21 compound treatment 0.391 -0.00162 -0.06 0.389 -0.00265 -0.17 -0.1632 -0.9005 1297506 Enamine_001297 CC(=O)Oc1ccccc1OCC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K22 compound treatment 0.412 0.0194 0.71 0.411 0.0194 1.25 1.3887 0.9641 1121528 Enamine_001298 Cc1ccccc1C(=O)N2C(=O)c3ccccc3S2(=O)=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K23 mock treatment 0.394 0.00138 0.05 0.393 0.00135 0.09 0.0977 0.9656 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 K24 mock treatment 0.403 0.0104 0.38 0.397 0.00535 0.35 0.5144 0.9989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L01 compound treatment 0.396 0.00338 0.12 0.41 0.0184 1.19 0.9275 0.7767 1278042 Enamine_001299 Clc1ccc2nsc(C(=O)NC3CCCCC3)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L02 compound treatment 0.404 0.0114 0.42 0.404 0.0124 0.8 0.8607 0.9542 1477990 Enamine_001300 N#CCc1nc2-c3ccccc3Cn2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L03 compound treatment 0.404 0.0114 0.42 0.411 0.0194 1.25 1.181 0.8945 2061093 Enamine_001301 FC(F)(F)c1cnc(NN2Cc3ccccc3C2=N)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L04 compound treatment 0.408 0.0154 0.56 0.41 0.0184 1.19 1.2391 0.9422 1651475 Enamine_001302 O=c1nc(sc2ccccc12)C(C#N)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L05 compound treatment 0.41 0.0174 0.64 0.417 0.0254 1.64 1.6114 0.9153 1253931 Enamine_001303 Nc1cc(nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L06 compound treatment 0.409 0.0164 0.6 0.41 0.0184 1.19 1.2651 0.9503 2061094 Enamine_001304 Cc1noc2nc(cc(c12)C(F)(F)F)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L07 compound treatment 0.439 0.0464 1.7 0.429 0.0374 2.42 2.9135 0.9853 1228393 Enamine_001305 C=CCNC(=O)c1cc(nc2ccccc12)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L08 compound treatment 0.397 0.00438 0.16 0.401 0.00935 0.61 0.5417 0.8648 2061095 Enamine_001306 OC(=O)C(F)(F)C(NCc1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L09 compound treatment 0.407 0.0144 0.53 0.409 0.0174 1.12 1.1674 0.9407 2061096 Enamine_001307 Clc1ccccc1/C=N/c2nc3ccccc3n2CCN4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L10 compound treatment 0.386 -0.00662 -0.24 0.388 -0.00365 -0.24 -0.3388 -0.9999 1241393 Enamine_001308 CC1CN(Cc2c(O)ccc3ccccc23)CC(C)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L11 compound treatment 0.409 0.0164 0.6 0.41 0.0184 1.19 1.2651 0.9503 2061097 Enamine_001309 CN/C(=N\c1cc(C)nn1c2ccccc2)/c3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L12 compound treatment 0.395 0.00238 0.09 0.401 0.00935 0.61 0.4897 0.8007 1761 Enamine_001310 CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L13 compound treatment 0.408 0.0154 0.56 0.414 0.0224 1.45 1.4221 0.9158 2061098 Enamine_001311 FC(F)(F)c1ccc2n(/C=C/NC(=O)c3ccco3)cnc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L14 compound treatment 0.441 0.0484 1.78 0.443 0.0514 3.32 3.606 0.9569 2061099 Enamine_001312 CCOC(=O)/C(=C/1\Nc2ccccc2C(=C1)C)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L15 compound treatment 0.41 0.0174 0.64 0.414 0.0224 1.45 1.4741 0.9323 1226163 Enamine_001313 C(N1CC(OC1c2ccccc2)c3ccccc3)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L16 compound treatment 0.41 0.0174 0.64 0.419 0.0274 1.77 1.7029 0.905 2061100 Enamine_001314 CC(C)(C)N/C=C/1\C(=O)N(C(=O)c2ccccc12)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L17 compound treatment 0.417 0.0244 0.9 0.415 0.0234 1.51 1.7016 0.9687 1454550 Enamine_001315 CC(O)c1nc2ccccc2n1C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L18 compound treatment 0.381 -0.0116 -0.43 0.377 -0.0146 -0.95 -0.972 -0.9351 1411108 Enamine_001316 COc1ccc2[nH]cc(c2c1)S(=O)(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L19 compound treatment 0.331 -0.0616 -2.26 0.33 -0.0616 -3.99 -4.4209 -0.9639 2061101 Enamine_001317 COc1ccc(c2[nH]nc(c2c3cc4ccccc4o3)C(F)(F)F)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L20 compound treatment 0.409 0.0164 0.6 0.404 0.0124 0.8 0.9905 0.9901 1646768 Enamine_001318 CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L21 compound treatment 0.397 0.00438 0.16 0.401 0.00935 0.61 0.5417 0.8648 1572131 Enamine_001319 CC(C)(C)c1nc2scc(c3ccc(Br)cc3)c2c(=O)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L22 compound treatment 0.4 0.00738 0.27 0.398 0.00635 0.41 0.4823 0.9795 1611987 Enamine_001320 Cc1cc(C)n(n1)c2ccc(cc2)C(=O)C(C#N)c3nc4ccccc4n3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L23 mock treatment 0.408 0.0154 0.56 0.404 0.0124 0.8 0.9646 0.9855 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 L24 mock treatment 0.391 -0.00162 -0.06 0.399 0.00735 0.48 0.2943 0.6136 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M01 compound treatment 0.389 -0.00362 -0.13 0.398 0.00635 0.41 0.1967 0.455 1632400 Enamine_001321 CC1CCCC(C)N1Cc2cn3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M02 compound treatment 0.428 0.0354 1.3 0.422 0.0304 1.96 2.3075 0.9798 2061102 Enamine_001322 O=C(C(C#N)c1ccccn1)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M03 compound treatment 0.398 0.00538 0.2 0.401 0.00935 0.61 0.5676 0.8915 2061103 Enamine_001323 Cc1nnc(C)n1/N=C\c2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M04 compound treatment 0.363 -0.0296 -1.09 0.366 -0.0256 -1.66 -1.9427 -0.979 2061104 Enamine_001324 Oc1ccccc1c2cc([nH]n2)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M05 compound treatment 0.45 0.0574 2.11 0.451 0.0594 3.84 4.2058 0.96 1395208 Enamine_001325 Oc1ccccc1CC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M06 compound treatment 0.421 0.0284 1.04 0.437 0.0454 2.93 2.8121 0.9029 1060488 Enamine_001326 CN(C)c1ccc(cc1)n2cccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M07 compound treatment 0.403 0.0104 0.38 0.393 0.00135 0.09 0.3314 0.8477 2061105 Enamine_001327 CC(C)(C)C(=O)Oc1ccccc1OC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M08 compound treatment 0.412 0.0194 0.71 0.406 0.0144 0.93 1.1599 0.9913 1569551 Enamine_001328 Cc1cc(C(=O)CC#N)c(C)n1c2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M09 compound treatment 0.399 0.00638 0.23 0.403 0.0114 0.73 0.6851 0.8884 1270726 Enamine_001329 CN(C(=O)C1CCCN1S(=O)(=O)c2ccc(Cl)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M10 compound treatment 0.398 0.00538 0.2 0.396 0.00435 0.28 0.3388 0.9848 2061106 Enamine_001330 O=C(N(CC#N)CC#N)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M11 compound treatment 0.564 0.171 6.29 0.556 0.164 10.64 11.9706 0.9686 2061107 Enamine_001331 CCN1C(=O)/C(=C\c2cc(C)n(CC(F)(F)F)c2C)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M12 compound treatment 0.404 0.0114 0.42 0.405 0.0134 0.86 0.9065 0.9444 1037113 Enamine_001332 Nc1nnc(c2ccccc2)c(n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M13 compound treatment 0.4 0.00738 0.27 0.406 0.0144 0.93 0.8484 0.8768 2061108 Enamine_001333 C/C(=C\C#N)/n1nc(C)cc1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M14 compound treatment 0.397 0.00438 0.16 0.397 0.00535 0.35 0.3586 0.9389 1275726 Enamine_001334 N1C(=CC(c2ccccc2)n3ncnc13)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M15 compound treatment 0.394 0.00138 0.05 0.396 0.00435 0.28 0.235 0.8207 2061109 Enamine_001335 Cc1cc(c2ccccc2)[n+]3nc(N)sc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M16 compound treatment 0.409 0.0164 0.6 0.414 0.0224 1.45 1.4481 0.9244 2061110 Enamine_001336 Oc1ccccc1/C=N/c2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M17 compound treatment 0.457 0.0644 2.36 0.472 0.0804 5.2 5.3485 0.9364 2061111 Enamine_001337 O=C1C=CC(=O)C(=C1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M18 compound treatment 0.405 0.0124 0.45 0.412 0.0204 1.32 1.2527 0.8991 1301906 Enamine_001338 CC(C)Cc1nnc(N)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M19 compound treatment 0.403 0.0104 0.38 0.4 0.00835 0.54 0.6517 0.9853 1913437 Enamine_001339 CCc1n[n+]2c(C)cc(C)nc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M20 compound treatment 0.429 0.0364 1.34 0.423 0.0314 2.03 2.3793 0.9794 2061112 Enamine_001340 C1COC(Oc2ccccc2)C(Oc3ccccc3)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M21 compound treatment 0.392 -6.25E-4 -0.02 0.396 0.00435 0.28 0.183 0.6474 1663426 Enamine_001341 Oc1ccccc1OCC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M22 compound treatment 0.401 0.00838 0.31 0.4 0.00835 0.54 0.5998 0.9642 1341093 Enamine_001342 Nc1noc(n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M23 mock treatment 0.396 0.00338 0.12 0.392 3.55E-4 0.02 0.1039 0.8241 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 M24 mock treatment 0.397 0.00438 0.16 0.392 3.55E-4 0.02 0.1298 0.8 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N01 compound treatment 0.39 -0.00262 -0.1 0.398 0.00635 0.41 0.2226 0.5271 1127673 Enamine_001343 CCOC(=O)c1c(NC(=O)C)sc(Br)c1c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N02 compound treatment 0.456 0.0634 2.33 0.428 0.0364 2.35 3.3092 1.0 1410879 Enamine_001344 Oc1ccc(c2n[nH]cc2c3cccc4cccnc34)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N03 compound treatment 0.4 0.00738 0.27 0.398 0.00635 0.41 0.4823 0.9795 2061113 Enamine_001345 Cc1ccc2c(=O)[nH]c(Cc3ccccc3C(=O)O)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N04 compound treatment 0.389 -0.00362 -0.13 0.396 0.00435 0.28 0.1051 0.3373 2061114 Enamine_001346 Cc1csc(n1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N05 compound treatment 0.394 0.00138 0.05 0.407 0.0154 0.99 0.7383 0.7421 1604066 Enamine_001347 OC(=O)c1cc(nc2ccccc12)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N06 compound treatment 0.401 0.00838 0.31 0.407 0.0154 0.99 0.9201 0.8846 1606499 Enamine_001348 O=C(Nc1ccc(Cc2ccncc2)cc1)C3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N07 compound treatment 0.391 -0.00162 -0.06 0.4 0.00835 0.54 0.3401 0.6253 1562377 Enamine_001349 CN(NC(=C1C(=O)CC(C)(C)CC1=O)C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N08 compound treatment 0.388 -0.00462 -0.17 0.396 0.00435 0.28 0.0792 0.2406 2061115 Enamine_001350 FC(F)(F)c1ccc2SCC(=O)Nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N09 compound treatment 0.398 0.00538 0.2 0.395 0.00335 0.22 0.2931 0.9989 1738541 Enamine_001351 CSC1=C(C#N)C(CC(=O)N1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N10 compound treatment 0.392 -6.25E-4 -0.02 0.399 0.00735 0.48 0.3203 0.6722 1440064 Enamine_001352 CN1CCN(CC1)C(=O)c2c(C)nn(c2Cl)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N11 compound treatment 0.418 0.0254 0.93 0.42 0.0284 1.83 1.9564 0.9506 1260538 Enamine_001353 OC(=O)c1cc(nc2ccccc12)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N12 compound treatment 0.386 -0.00662 -0.24 0.384 -0.00765 -0.49 -0.5219 -0.9466 1115679 Enamine_001354 Cc1cc(C)nc(NN)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N13 compound treatment 0.405 0.0124 0.45 0.414 0.0224 1.45 1.3442 0.8865 1351697 Enamine_001355 Clc1ccc2nsc(C(=O)N3CCc4ccccc4C3)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N14 compound treatment 0.394 0.00138 0.05 0.392 3.55E-4 0.02 0.0519 0.9364 2061116 Enamine_001356 Cc1c(C)c(Br)cc(C(=O)O)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N15 compound treatment 0.393 3.75E-4 0.01 0.401 0.00935 0.61 0.4378 0.723 1203771 Enamine_001357 Cc1cc(C)n(Cc2ccc(cc2)C(=O)O)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N16 compound treatment 0.397 0.00438 0.16 0.4 0.00835 0.54 0.4959 0.8792 2061117 Enamine_001358 CCCOc1ccc2c3CCCc3c(=O)oc2c1OCCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N17 compound treatment 0.408 0.0154 0.56 0.401 0.00935 0.61 0.8273 0.9994 2061118 Enamine_001359 CN(C)C(=O)C(=C(Cl)Cl)NC(=O)c1ccc(C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N18 compound treatment 0.4 0.00738 0.27 0.401 0.00935 0.61 0.6196 0.9342 2061119 Enamine_001360 CCOC(=O)CNC1=NCc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N19 compound treatment 0.404 0.0114 0.42 0.41 0.0184 1.19 1.1353 0.9016 1661300 Enamine_001361 Cc1ccc(Cc2cnc(N)s2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N20 compound treatment 0.394 0.00138 0.05 0.393 0.00135 0.09 0.0977 0.9656 1531126 Enamine_001362 CC(N)c1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N21 compound treatment 0.399 0.00638 0.23 0.396 0.00435 0.28 0.3648 0.9958 1116205 Enamine_001363 OC(=O)c1ccc(cc1)N2C(=O)CCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N22 compound treatment 0.386 -0.00662 -0.24 0.392 3.55E-4 0.02 -0.1558 -0.6375 1294223 Enamine_001364 CSc1nc(C)c(cc1C#N)c2cc3ccccn3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N23 mock treatment 0.389 -0.00362 -0.13 0.395 0.00335 0.22 0.0594 0.2332 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 N24 mock treatment 0.391 -0.00162 -0.06 0.385 -0.00665 -0.43 -0.3463 -0.7976 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O01 compound treatment 0.369 -0.0236 -0.87 0.39 -0.00165 -0.11 -0.6887 -0.788 2061120 Enamine_001365 CC1(C)CC(=O)C(=Cc2cn(CCC#N)nc2c3ccc(F)cc3)C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O02 compound treatment 0.405 0.0124 0.45 0.403 0.0114 0.73 0.8409 0.9733 1150014 Enamine_001366 Cc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)NC4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O03 compound treatment 0.394 0.00138 0.05 0.391 -6.45E-4 -0.04 0.0062 0.0944 1491939 Enamine_001367 CC1CCCC(C)N1CC(C)(C)NS(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O04 compound treatment 0.437 0.0444 1.63 0.431 0.0394 2.55 2.9531 0.9767 2061121 Enamine_001368 Fc1ccc(cc1)N2C(=O)/C(=C/c3nc4ccccc4[nH]3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O05 compound treatment 0.398 0.00538 0.2 0.396 0.00435 0.28 0.3388 0.9848 2061122 Enamine_001369 COC(=O)COc1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O06 compound treatment 0.399 0.00638 0.23 0.406 0.0144 0.93 0.8224 0.8585 2061123 Enamine_001370 COc1cccc(NC2=CC(=O)CC(C)(C)C2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O07 compound treatment 0.387 -0.00562 -0.21 0.394 0.00235 0.15 -0.0383 -0.1492 2061124 Enamine_001371 CCOC(=O)COc1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O08 compound treatment 0.417 0.0244 0.9 0.403 0.0114 0.73 1.1525 0.9952 2061125 Enamine_001372 Cc1cc(C(=O)CC#N)c(C)n1c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O09 compound treatment 0.393 3.75E-4 0.01 0.395 0.00335 0.22 0.1632 0.7505 2061126 Enamine_001373 Cc1nn(c2ccccc2)c3[nH]c(nc(=O)c13)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O10 compound treatment 0.399 0.00638 0.23 0.404 0.0124 0.8 0.7309 0.8773 1671755 Enamine_001374 O=C1OC(COc2ccccc2)CN1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O11 compound treatment 0.388 -0.00462 -0.17 0.386 -0.00565 -0.37 -0.3784 -0.9393 2061127 Enamine_001375 C(Nn1cnnc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O12 compound treatment 0.392 -6.25E-4 -0.02 0.395 0.00335 0.22 0.1373 0.6288 2061128 Enamine_001376 Cc1ccc(NCn2nnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O13 compound treatment 0.394 0.00138 0.05 0.402 0.0104 0.67 0.5095 0.7582 1140681 Enamine_001377 CN(C)c1cccc(NC(=O)c2ccco2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O14 compound treatment 0.394 0.00138 0.05 0.39 -0.00165 -0.11 -0.0396 -0.3359 2061129 Enamine_001378 c1nc2nc(cc(c3ccccc3)n2n1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O15 compound treatment 0.397 0.00438 0.16 0.39 -0.00165 -0.11 0.0383 0.1988 2061130 Enamine_001379 Nc1scc[n+]1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O16 compound treatment 0.394 0.00138 0.05 0.415 0.0234 1.51 1.1044 0.7303 1510826 Enamine_001380 CC1CN(CC(C)O1)C(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O17 compound treatment 0.393 3.75E-4 0.01 0.395 0.00335 0.22 0.1632 0.7505 2061131 Enamine_001381 CCc1c(C)nc2sc(C)n[n+]2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O18 compound treatment 0.399 0.00638 0.23 0.398 0.00635 0.41 0.4563 0.9643 2061132 Enamine_001382 CCCCc1nnc(N)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O19 compound treatment 0.392 -6.25E-4 -0.02 0.39 -0.00165 -0.11 -0.0915 -0.8402 2061133 Enamine_001383 Nc1nccc[n+]1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O20 compound treatment 0.407 0.0144 0.53 0.403 0.0114 0.73 0.8928 0.9868 2061134 Enamine_001384 COc1ccc(cc1)N2C(=O)/C(=C/NCc3ccccc3)/c4ccccc4C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O21 compound treatment 0.395 0.00238 0.09 0.393 0.00135 0.09 0.1237 1.0 1445850 Enamine_001385 CNC(=O)COc1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O22 compound treatment 0.347 -0.0456 -1.68 0.349 -0.0426 -2.76 -3.1361 -0.9714 1621670 Enamine_001386 Oc1cc(c2cc(Cl)cc(Cl)c2)c3oc(=O)sc3c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O23 mock treatment 0.395 0.00238 0.09 0.39 -0.00165 -0.11 -0.0136 -0.0989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 O24 mock treatment 0.392 -6.25E-4 -0.02 0.39 -0.00165 -0.11 -0.0915 -0.8402 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P01 compound treatment 0.384 -0.00862 -0.32 0.391 -6.45E-4 -0.04 -0.2535 -0.7935 1451032 Enamine_001387 C(N1CCCc2ccccc12)c3nnc4CCCCCn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P02 compound treatment 0.395 0.00238 0.09 0.391 -6.45E-4 -0.04 0.0321 0.3325 1706061 Enamine_001388 Cc1ccc(C)n1c2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P03 compound treatment 0.397 0.00438 0.16 0.401 0.00935 0.61 0.5417 0.8648 2061135 Enamine_001389 OC(=O)c1ccccc1Cc2nc3cc(ccc3c(=O)[nH]2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P04 compound treatment 0.388 -0.00462 -0.17 0.39 -0.00165 -0.11 -0.1954 -0.9747 1176227 Enamine_001390 CCOC(=O)c1oc2ccccc2c1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P05 compound treatment 0.412 0.0194 0.71 0.412 0.0204 1.32 1.4345 0.9582 2061136 Enamine_001391 OC(=O)/C=C/c1ccc(I)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P06 compound treatment 0.397 0.00438 0.16 0.399 0.00735 0.48 0.4501 0.8961 1509935 Enamine_001392 Fc1ccc2nc(CC#N)[nH]c(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P07 compound treatment 0.396 0.00338 0.12 0.396 0.00435 0.28 0.2869 0.9319 2061137 Enamine_001393 FC1(F)C(N(Cc2ccccc2)C1=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P08 compound treatment 0.396 0.00338 0.12 0.394 0.00235 0.15 0.1954 0.9947 2061138 Enamine_001394 Oc1ccc(CCNC(=O)C(F)(F)F)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P09 compound treatment 0.403 0.0104 0.38 0.398 0.00635 0.41 0.5602 0.9993 2061139 Enamine_001395 CCN1CCN(CC(O)COCCC2(CC3CC4CC(C3)C2)C4)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P10 compound treatment 0.397 0.00438 0.16 0.388 -0.00365 -0.24 -0.0532 -0.1864 2061140 Enamine_001396 OC(=O)/C=C/C(=O)Nc1ccc(SC(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P11 compound treatment 0.397 0.00438 0.16 0.397 0.00535 0.35 0.3586 0.9389 2061141 Enamine_001397 O=C(/N=C\1/N(Cc2ccccc12)c3ccccc3)c4ccncc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P12 compound treatment 0.393 3.75E-4 0.01 0.388 -0.00365 -0.24 -0.1571 -0.6647 2061142 Enamine_001398 Fc1ccc(cc1)c2ccc(/C=C/C(=O)N3CCCC3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P13 compound treatment 0.391 -0.00162 -0.06 0.379 -0.0126 -0.82 -0.6208 -0.7567 1246224 Enamine_001399 Oc1cccc(c1)c2nc(c3ccccc3)c4ccccn24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P14 compound treatment 0.391 -0.00162 -0.06 0.391 -6.45E-4 -0.04 -0.0717 -0.9847 1344398 Enamine_001400 Cc1cc(Nc2nc3ccccc3nc2Cl)n(n1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P15 compound treatment 0.41 0.0174 0.64 0.41 0.0184 1.19 1.291 0.9575 2061143 Enamine_001401 O=C(Nc1nc(cs1)c2ccccc2)/C=C/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P16 compound treatment 0.402 0.00938 0.34 0.392 3.55E-4 0.02 0.2597 0.7526 1472400 Enamine_001402 Cc1c(OCC(=O)C(C)(C)C)ccc2c3CCCc3c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P17 compound treatment 0.404 0.0114 0.42 0.393 0.00135 0.09 0.3574 0.8373 1636682 Enamine_001403 O=C(Nc1ccc(cc1)N2CCOCC2)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P18 compound treatment 0.39 -0.00262 -0.1 0.393 0.00135 0.09 -0.0062 -0.0473 1149568 Enamine_001404 CC1(Cc2cn(CCC(=O)O)c3ccccc23)OCCO1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P19 compound treatment 0.409 0.0164 0.6 0.417 0.0254 1.64 1.5854 0.9072 2061144 Enamine_001405 CCOc1ccc2n(Cc3ccccc3)cnc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P20 compound treatment 0.394 0.00138 0.05 0.396 0.00435 0.28 0.235 0.8207 1733661 Enamine_001406 Cn1ccnc1C(=O)c2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P21 compound treatment 0.4 0.00738 0.27 0.403 0.0114 0.73 0.7111 0.908 2061145 Enamine_001407 Fc1ccc(cc1F)c2nnc(Cl)c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P22 compound treatment 0.397 0.00438 0.16 0.391 -6.45E-4 -0.04 0.0841 0.5065 1381242 Enamine_001408 CN(C)c1cccc(c1)C(=O)NO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P23 mock treatment 0.385 -0.00762 -0.28 0.388 -0.00365 -0.24 -0.3648 -0.9964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1397 P24 mock treatment 0.376 -0.0166 -0.61 0.369 -0.0226 -1.47 -1.4679 -0.9247 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A01 compound treatment 0.383 -0.00847 -0.31 0.355 -0.0191 -1.23 -1.0922 -0.8585 2061146 Enamine_001409 CC(CBr)(NS(=O)(=O)c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A02 compound treatment 0.401 0.00953 0.35 0.364 -0.0101 -0.65 -0.2129 -0.2881 1562901 Enamine_001410 CC1(OC2C=C1)C3C2C(=O)N(C3=O)c4ccccc4Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A03 compound treatment 0.389 -0.00247 -0.09 0.366 -0.00806 -0.52 -0.433 -0.8177 2061147 Enamine_001411 Cc1nnc(C)n1/N=C\c2cccc(O)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A04 compound treatment 0.395 0.00353 0.13 0.371 -0.00306 -0.2 -0.0484 -0.2045 2061148 Enamine_001412 CCOC(=O)/C=C(/C)\Nc1ccc(OC)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A05 compound treatment 0.378 -0.0135 -0.49 0.363 -0.0111 -0.72 -0.8559 -0.9837 2061149 Enamine_001413 CCN(C1CCCCC1)C(=O)/C=C/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A06 compound treatment 0.362 -0.0295 -1.08 0.338 -0.0361 -2.33 -2.4153 -0.939 2061150 Enamine_001414 Cc1ccc(/C=C/2\Sc3ccccc3C2=O)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A07 compound treatment 0.388 -0.00347 -0.13 0.368 -0.00606 -0.39 -0.3675 -0.8909 2061151 Enamine_001415 COc1ccc(/C=C/C(=O)N2C(C)Cc3ccccc23)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A08 compound treatment 0.425 0.0335 1.23 0.395 0.0209 1.35 1.8287 0.9989 1633236 Enamine_001416 CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A09 compound treatment 0.367 -0.0245 -0.9 0.36 -0.0141 -0.91 -1.2788 -1.0 1214100 Enamine_001417 COc1ccc(OCC(=O)Nc2ccncc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A10 compound treatment 0.382 -0.00947 -0.35 0.361 -0.0131 -0.85 -0.8436 -0.9229 2061152 Enamine_001418 COc1ccc(/C=C/C(=O)Nc2cccnc2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A11 compound treatment 0.374 -0.0175 -0.64 0.374 -6.25E-5 0.0 -0.4565 -0.7116 1530692 Enamine_001419 CN1CCN(CC1)C(=O)c2cc(nc3ccccc23)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A12 compound treatment 0.393 0.00153 0.06 0.387 0.0129 0.84 0.6318 0.7529 1150305 Enamine_001420 Clc1ccc(cc1)C(Cn2cncn2)OC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A13 compound treatment 0.375 -0.0165 -0.6 0.368 -0.00606 -0.39 -0.705 -0.978 1680826 Enamine_001421 CC(C)CNC(=O)c1cccc(c1)S(=O)(=O)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A14 compound treatment 0.378 -0.0135 -0.49 0.351 -0.0231 -1.49 -1.405 -0.8937 1595152 Enamine_001422 Oc1ccccc1NC(=O)COc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A15 compound treatment 0.37 -0.0215 -0.79 0.362 -0.0121 -0.78 -1.1094 -1.0 2061153 Enamine_001423 Nc1n(N)c2ccccc2[n+]1CC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A16 compound treatment 0.39 -0.00147 -0.05 0.376 0.00194 0.13 0.0505 0.3701 2061154 Enamine_001424 Cc1csc(Nc2ccc(C)cc2)[n+]1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A17 compound treatment 0.398 0.00653 0.24 0.373 -0.00106 -0.07 0.121 0.4849 2061155 Enamine_001425 COc1ccccc1C2CCC=C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A18 compound treatment 0.389 -0.00247 -0.09 0.364 -0.0101 -0.65 -0.5245 -0.7979 1190574 Enamine_001426 COc1ccc(OCC(=O)NC2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A19 compound treatment 0.388 -0.00347 -0.13 0.368 -0.00606 -0.39 -0.3675 -0.8909 1630250 Enamine_001427 CC(C)NC(=O)COc1ccc(cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A20 compound treatment 0.375 -0.0165 -0.6 0.366 -0.00806 -0.52 -0.7966 -0.9973 1181667 Enamine_001428 CCOC(=O)C1CCCN(C1)C(=O)COc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A21 compound treatment 0.37 -0.0215 -0.79 0.356 -0.0181 -1.17 -1.384 -0.9816 1346026 Enamine_001429 CN(C)CC(O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A22 compound treatment 0.389 -0.00247 -0.09 0.362 -0.0121 -0.78 -0.6161 -0.784 2061156 Enamine_001430 COc1ccc(cc1NC(=O)C)S(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A23 mock treatment 0.388 -0.00347 -0.13 0.369 -0.00506 -0.33 -0.3217 -0.9153 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 A24 mock treatment 0.364 -0.0275 -1.01 0.359 -0.0151 -0.97 -1.4025 -0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B01 compound treatment 0.4 0.00853 0.31 0.386 0.0119 0.77 0.7678 0.921 2061157 Enamine_001431 Cc1sc2ncnc(Oc3ccc(Cl)cc3Cl)c2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B02 compound treatment 0.404 0.0125 0.46 0.377 0.00294 0.19 0.4598 0.9235 1021607 Enamine_001432 Oc1ccccc1NS(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B03 compound treatment 0.407 0.0155 0.57 0.383 0.00894 0.58 0.8123 1.0 1430728 Enamine_001433 Oc1ccc(cc1)c2cn3CCSc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B04 compound treatment 0.409 0.0175 0.64 0.387 0.0129 0.84 1.0472 0.9916 1294300 Enamine_001434 CC1CCCN(C1)C(=O)c2ccc(Cl)c(c2)S(=O)(=O)N3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B05 compound treatment 0.416 0.0245 0.9 0.381 0.00694 0.45 0.9544 0.9483 2061158 Enamine_001435 Clc1ccc(/C=C/C(=O)Nc2nnc(s2)C3CC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B06 compound treatment 0.399 0.00753 0.28 0.372 -0.00206 -0.13 0.1012 0.3295 1243408 Enamine_001436 CN(C)C(=O)COc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B07 compound treatment 0.88 0.489 17.94 0.818 0.444 28.73 32.9992 0.9743 2061159 Enamine_001437 CN1/C(=C/C(=O)c2cccs2)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B08 compound treatment 0.442 0.0505 1.86 0.415 0.0409 2.65 3.1853 0.9848 2061160 Enamine_001438 OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B09 compound treatment 0.407 0.0155 0.57 0.392 0.0179 1.16 1.2241 0.9465 1237530 Enamine_001439 CN(C1CCCCC1)C(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B10 compound treatment 0.405 0.0135 0.5 0.371 -0.00306 -0.2 0.2112 0.3948 1310960 Enamine_001440 CN(C)CCNC(=O)c1cc(nc2ccccc12)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B11 compound treatment 0.422 0.0305 1.12 0.396 0.0219 1.42 1.7966 0.9932 1593159 Enamine_001441 Oc1ccc(C(=O)COc2ccc3ccccc3c2)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B12 compound treatment 0.401 0.00953 0.35 0.378 0.00394 0.25 0.4277 0.9878 2061161 Enamine_001442 OCc1cn(Cn2cc(CO)c(n2)c3ccccc3)nc1c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B13 compound treatment 0.373 -0.0185 -0.68 0.355 -0.0191 -1.23 -1.3518 -0.9603 1073288 Enamine_001443 C(Cc1ccccc1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B14 compound treatment 0.405 0.0135 0.5 0.376 0.00194 0.13 0.44 0.8586 1353965 Enamine_001444 CCC(=O)N(CCc1ccccc1)C2CC(=O)N(C2=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B15 compound treatment 0.548 0.157 5.75 0.488 0.114 7.37 9.2781 0.9924 1118218 Enamine_001445 Cc1ccc(NC(=O)c2cc(nc3ccccc23)c4cccs4)nc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B16 compound treatment 0.415 0.0235 0.86 0.386 0.0119 0.77 1.1573 0.9984 1414244 Enamine_001446 COC(=O)Cc1ccc2sc(nc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B17 compound treatment 0.41 0.0185 0.68 0.396 0.0219 1.42 1.485 0.9433 1279194 Enamine_001447 CCN(C1CCCCC1)C(=O)COc2ccc(OC)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B18 compound treatment 0.402 0.0105 0.39 0.378 0.00394 0.25 0.4536 0.9795 2061162 Enamine_001448 Cc1cc(N)n(n1)c2ccccc2C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B19 compound treatment 0.388 -0.00347 -0.13 0.366 -0.00806 -0.52 -0.459 -0.8546 1280841 Enamine_001449 Oc1ccccc1C(C#Cc2ccccc2)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B20 compound treatment 0.395 0.00353 0.13 0.388 0.0139 0.9 0.7294 0.8005 2061163 Enamine_001450 COc1ccc(cc1)C(=O)Nc2cc(ccc2n3cncn3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B21 compound treatment 0.39 -0.00147 -0.05 0.375 9.37E-4 0.06 0.0048 0.0586 1211218 Enamine_001451 Cc1nccn1CC(O)Cn2c3ccccc3c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B22 compound treatment 0.395 0.00353 0.13 0.365 -0.00906 -0.59 -0.323 -0.5378 1656790 Enamine_001452 O=C(N1CCN(CC1)c2ccccn2)c3cccc(Oc4ccccc4)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B23 mock treatment 0.399 0.00753 0.28 0.379 0.00494 0.32 0.4215 0.9974 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 B24 mock treatment 0.382 -0.00947 -0.35 0.375 9.37E-4 0.06 -0.203 -0.575 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C01 compound treatment 0.37 -0.0215 -0.79 0.349 -0.0251 -1.62 -1.7043 -0.9451 2061164 Enamine_001453 Nc1cc2OCCOc2cc1C(O)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C02 compound treatment 0.383 -0.00847 -0.31 0.355 -0.0191 -1.23 -1.0922 -0.8585 1520467 Enamine_001454 CN1OC2C(C1c3ccc(F)cc3)C(=O)N(C2=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C03 compound treatment 0.38 -0.0115 -0.42 0.352 -0.0221 -1.43 -1.3073 -0.8783 2061165 Enamine_001455 COc1ccccc1/C=C/C=N/n2c(C)nnc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C04 compound treatment 0.386 -0.00547 -0.2 0.37 -0.00406 -0.26 -0.3279 -0.9912 2061166 Enamine_001456 NCCN1C(=O)S/C(=C/c2ccccc2)/C1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C05 compound treatment 0.386 -0.00547 -0.2 0.359 -0.0151 -0.97 -0.8312 -0.8353 1246463 Enamine_001457 O=C(ON(C(=O)c1ccccc1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C06 compound treatment 0.408 0.0165 0.61 0.391 0.0169 1.1 1.2043 0.9612 2061167 Enamine_001458 Cc1[nH]c2ccccc2c1C(C#N)(C#N)C3C(=O)c4ccccc4C3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C07 compound treatment 0.381 -0.0105 -0.38 0.357 -0.0171 -1.1 -1.0526 -0.9003 1782377 Enamine_001459 CCOC(=O)/C(=C/1\CCCCCN1)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C08 compound treatment 0.399 0.00753 0.28 0.39 0.0159 1.03 0.9248 0.8661 1474217 Enamine_001460 CC(C)C1CCC(C)CC1OC(=O)CSC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C09 compound treatment 0.441 0.0495 1.82 0.42 0.0459 2.97 3.3882 0.9722 1182847 Enamine_001461 COc1ccc(C)cc1NC(=O)COc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C10 compound treatment 0.398 0.00653 0.24 0.369 -0.00506 -0.33 -0.0621 -0.1528 1179635 Enamine_001462 Cc1cccc(c1)n2cnc3sc4CCCCc4c3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C11 compound treatment 0.536 0.145 5.31 0.484 0.11 7.11 8.7835 0.9896 1637181 Enamine_001463 CN(C)S(=O)(=O)c1cccc(c1)C(=O)c2c(C)cc3ccccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C12 compound treatment 0.384 -0.00747 -0.27 0.364 -0.0101 -0.65 -0.6544 -0.9261 2061168 Enamine_001464 O=C(NCC1CCCO1)c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C13 compound treatment 0.38 -0.0115 -0.42 0.359 -0.0151 -0.97 -0.987 -0.9296 1698763 Enamine_001465 CSc1nc2ccccc2n1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C14 compound treatment 0.381 -0.0105 -0.38 0.359 -0.0151 -0.97 -0.9611 -0.9172 2061169 Enamine_001466 CCC(CO)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C15 compound treatment 0.399 0.00753 0.28 0.379 0.00494 0.32 0.4215 0.9974 1584192 Enamine_001467 Nn1c(SCc2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C16 compound treatment 0.387 -0.00447 -0.16 0.361 -0.0131 -0.85 -0.7138 -0.8289 1584078 Enamine_001468 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C17 compound treatment 0.4 0.00853 0.31 0.388 0.0139 0.9 0.8593 0.9 2061170 Enamine_001469 Oc1ccc2cc(Br)ccc2c1/C=N/n3cnnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C18 compound treatment 0.391 -4.69E-4 -0.02 0.368 -0.00606 -0.39 -0.2896 -0.7374 1128562 Enamine_001470 O=C(NC1c2ccccc2Oc3ccccc13)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C19 compound treatment 0.378 -0.0135 -0.49 0.356 -0.0181 -1.17 -1.1762 -0.9268 1208566 Enamine_001471 O=C(COc1ccc(cc1)c2ccccc2)NCCN3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C20 compound treatment 0.376 -0.0155 -0.57 0.358 -0.0161 -1.04 -1.1367 -0.9596 2061171 Enamine_001472 Cc1cc(C)n(n1)c2ncnc3scc(c4ccccc4)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C21 compound treatment 0.382 -0.00947 -0.35 0.354 -0.0201 -1.3 -1.1639 -0.866 2061172 Enamine_001473 CCOC(=O)c1sc(N)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C22 compound treatment 0.438 0.0465 1.71 0.429 0.0549 3.56 3.7221 0.9436 2061173 Enamine_001474 CCOc1ccc(NC2=CC(=O)C=CC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C23 mock treatment 0.379 -0.0125 -0.46 0.354 -0.0201 -1.3 -1.2418 -0.902 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 C24 mock treatment 0.377 -0.0145 -0.53 0.353 -0.0211 -1.36 -1.3395 -0.9156 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D01 compound treatment 0.413 0.0215 0.79 0.397 0.0229 1.48 1.6087 0.9565 2061174 Enamine_001475 FC1(F)C(N(C1=O)c2ccccc2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D02 compound treatment 0.393 0.00153 0.06 0.366 -0.00806 -0.52 -0.3292 -0.6273 1463914 Enamine_001476 C(c1ccccc1)n2c3ncnn3c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D03 compound treatment 0.435 0.0435 1.6 0.429 0.0549 3.56 3.6442 0.9349 1324366 Enamine_001477 CCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D04 compound treatment 0.403 0.0115 0.42 0.368 -0.00606 -0.39 0.022 0.0381 1722741 Enamine_001478 CCCc1oc2cc(O)ccc2c(=O)c1Oc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D05 compound treatment 0.395 0.00353 0.13 0.37 -0.00406 -0.26 -0.0942 -0.3213 2061175 Enamine_001479 Cc1[nH]c2ccccc2c1/C=N/c3ccc(C)c(C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D06 compound treatment 0.394 0.00253 0.09 0.375 9.37E-4 0.06 0.1086 0.9786 1462147 Enamine_001480 Cn1ccnc1C(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D07 compound treatment 0.407 0.0155 0.57 0.384 0.00994 0.64 0.858 0.9982 1276388 Enamine_001481 CNc1ccccc1C(C)(C)c2cc(n[nH]2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D08 compound treatment 0.42 0.0285 1.05 0.405 0.0309 2.0 2.1565 0.9544 1328795 Enamine_001482 Cn1ccnc1C(=O)c2cc(Cl)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D09 compound treatment 0.396 0.00453 0.17 0.394 0.0199 1.29 1.03 0.7917 2061176 Enamine_001483 CC[N+](=c1scc(s1)c2ccccc2)CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D10 compound treatment 0.392 5.31E-4 0.02 0.379 0.00494 0.32 0.2397 0.7489 1374594 Enamine_001484 CNc1ccccc1C(C)(C)c2cc(n[nH]2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D11 compound treatment 0.41 0.0185 0.68 0.398 0.0239 1.55 1.5765 0.9318 1387318 Enamine_001485 CC(C)C(=O)Nc1scc(c1C(=O)O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D12 compound treatment 0.406 0.0145 0.53 0.391 0.0169 1.1 1.1524 0.9453 2061177 Enamine_001486 Cc1ccc(o1)c2nn(cc2/C=C/C(=O)O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D13 compound treatment 0.409 0.0175 0.64 0.393 0.0189 1.23 1.3218 0.9548 1414339 Enamine_001487 CC1CC(C)CN(C1)C(=O)c2cc(nc3ccccc23)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D14 compound treatment 0.392 5.31E-4 0.02 0.368 -0.00606 -0.39 -0.2636 -0.6711 1549369 Enamine_001488 Fc1ccc(cc1F)S(=O)(=O)Nc2cccc(c2)C(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D15 compound treatment 0.392 5.31E-4 0.02 0.41 0.0359 2.33 1.6582 0.713 2061178 Enamine_001489 COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cn2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D16 compound treatment 0.398 0.00653 0.24 0.381 0.00694 0.45 0.487 0.9569 2061179 Enamine_001490 Cc1cc(NC(=O)/C=C/c2cccs2)n(n1)c3ccccc3C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D17 compound treatment 0.418 0.0265 0.97 0.409 0.0349 2.26 2.2876 0.9292 1495016 Enamine_001491 O=C(COc1ccc(cc1)c2ccccc2)Nc3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D18 compound treatment 0.458 0.0665 2.44 0.438 0.0639 4.14 4.6532 0.9684 1284151 Enamine_001492 Cc1cccc(c1)C(=O)OCC(=O)Nc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D19 compound treatment 0.394 0.00253 0.09 0.37 -0.00406 -0.26 -0.1202 -0.4309 2061180 Enamine_001493 Cc1nccn1Cc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D20 compound treatment 0.398 0.00653 0.24 0.376 0.00194 0.13 0.2582 0.9542 2061181 Enamine_001494 O=C(CSc1ccc2ccccc2c1)NCCCN3CCCC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D21 compound treatment 0.45 0.0585 2.15 0.463 0.0889 5.76 5.5895 0.9098 1547694 Enamine_001495 COc1ccc(NC(=O)c2ccccc2Nc3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D22 compound treatment 0.393 0.00153 0.06 0.369 -0.00506 -0.33 -0.1919 -0.5773 1730801 Enamine_001496 Clc1ccc(cc1)C(=O)c2ccccc2C(=O)OCC(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D23 mock treatment 0.393 0.00153 0.06 0.372 -0.00206 -0.13 -0.0546 -0.3771 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 D24 mock treatment 0.389 -0.00247 -0.09 0.365 -0.00906 -0.59 -0.4788 -0.8068 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E01 compound treatment 0.405 0.0135 0.5 0.378 0.00394 0.25 0.5315 0.9519 1347565 Enamine_001497 O=C(N1CCCCC1)c2csc3CCCCc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E02 compound treatment 0.398 0.00653 0.24 0.37 -0.00406 -0.26 -0.0163 -0.0458 2061182 Enamine_001498 CC1CCN(CC1)S(=O)(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E03 compound treatment 0.401 0.00953 0.35 0.378 0.00394 0.25 0.4277 0.9878 1726178 Enamine_001499 COC(=O)C(Cc1cc(Cl)ccc1Cl)SC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E04 compound treatment 0.4 0.00853 0.31 0.376 0.00194 0.13 0.3102 0.9192 1039991 Enamine_001500 NCCN1C(=O)CSC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E05 compound treatment 0.406 0.0145 0.53 0.397 0.0229 1.48 1.4269 0.9046 1132218 Enamine_001501 CCCCS(=O)(=O)N(O)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E06 compound treatment 0.357 -0.0345 -1.27 0.347 -0.0271 -1.75 -2.1334 -0.9873 2061183 Enamine_001502 CCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E07 compound treatment 0.42 0.0285 1.05 0.41 0.0359 2.33 2.3853 0.9352 2061184 Enamine_001503 CCc1nnc2c3c(csc3ncn12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E08 compound treatment 0.472 0.0805 2.96 0.461 0.0869 5.63 6.0692 0.9549 2061185 Enamine_001504 Brc1ccc(N/C=C/2\Sc3ccccc3C2=S)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E09 compound treatment 0.481 0.0895 3.29 0.474 0.0999 6.47 6.8978 0.9508 1178129 Enamine_001505 CCOC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E10 compound treatment 0.434 0.0425 1.56 0.42 0.0459 2.97 3.2064 0.9548 2061186 Enamine_001506 O=C(Nc1ccncc1)c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E11 compound treatment 0.392 5.31E-4 0.02 0.383 0.00894 0.58 0.4228 0.7305 1558041 Enamine_001507 Fc1ccc(cc1)c2cc(C(=O)Nc3ncccn3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E12 compound treatment 0.401 0.00953 0.35 0.41 0.0359 2.33 1.8919 0.8045 1409980 Enamine_001508 Fc1ccccc1OCC(=O)Nc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E13 compound treatment 0.407 0.0155 0.57 0.397 0.0229 1.48 1.4529 0.9137 2061187 Enamine_001509 CN(C)c1cccc2c(Br)ccc(N(C)C)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E14 compound treatment 0.407 0.0155 0.57 0.384 0.00994 0.64 0.858 0.9982 2061188 Enamine_001510 CCOC(=O)Cc1ccc2sc(nc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E15 compound treatment 0.403 0.0115 0.42 0.385 0.0109 0.71 0.7999 0.9698 1522464 Enamine_001511 O=C(NC1CCCC1)c2cccc(c2)S(=O)(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E16 compound treatment 0.399 0.00753 0.28 0.389 0.0149 0.97 0.8791 0.8743 1356670 Enamine_001512 Fc1ccc(cc1)c2cc(C(=O)N3CCOCC3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E17 compound treatment 0.381 -0.0105 -0.38 0.365 -0.00906 -0.59 -0.6865 -0.979 2061189 Enamine_001513 CC(CC1C(=C(N)OC2=C1C(=O)CCC2)C#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E18 compound treatment 0.405 0.0135 0.5 0.392 0.0179 1.16 1.1721 0.9283 1421727 Enamine_001514 Cc1ccc(cc1)C(=O)NCC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E19 compound treatment 0.392 5.31E-4 0.02 0.368 -0.00606 -0.39 -0.2636 -0.6711 2061190 Enamine_001515 FC(F)(F)c1ccc(Cl)c(/N=C/2\CCCN2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E20 compound treatment 0.396 0.00453 0.17 0.376 0.00194 0.13 0.2063 0.9903 1127602 Enamine_001516 O=C(N1CCOCC1)c2csc3CCCCc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E21 compound treatment 0.397 0.00553 0.2 0.375 9.37E-4 0.06 0.1865 0.8799 1316381 Enamine_001517 CCN(CC)c1ccc(cc1)C(=O)NCCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E22 compound treatment 0.411 0.0195 0.72 0.379 0.00494 0.32 0.7331 0.9337 1285514 Enamine_001518 CCc1nc2n(ncc2c(=O)[nH]1)c3ccc4ccccc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E23 mock treatment 0.391 -4.69E-4 -0.02 0.366 -0.00806 -0.52 -0.3811 -0.73 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 E24 mock treatment 0.396 0.00453 0.17 0.377 0.00294 0.19 0.2521 0.9978 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F01 compound treatment 0.397 0.00553 0.2 0.375 9.37E-4 0.06 0.1865 0.8799 1157755 Enamine_001519 CCOC(=O)c1c(C)cc(C)n2c3ccccc3nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F02 compound treatment 0.406 0.0145 0.53 0.388 0.0139 0.9 1.0151 0.9686 2061191 Enamine_001520 CCc1nc(cc(=O)[nH]1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F03 compound treatment 0.41 0.0185 0.68 0.378 0.00394 0.25 0.6614 0.9102 2061192 Enamine_001521 Cc1csc(=NC(=O)c2ccccc2)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F04 compound treatment 0.405 0.0135 0.5 0.383 0.00894 0.58 0.7603 0.9971 1669569 Enamine_001522 Cc1[nH]c2ccccc2c1C(N3CCN(CCO)CC3)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F05 compound treatment 0.422 0.0305 1.12 0.406 0.0319 2.07 2.2542 0.9587 1166134 Enamine_001523 COc1ccc(CCNC(=O)c2cc(nc3ccccc23)c4ccccn4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F06 compound treatment 0.411 0.0195 0.72 0.398 0.0239 1.55 1.6025 0.9388 2061193 Enamine_001524 O=C(NCCCn1ccnc1)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F07 compound treatment 0.418 0.0265 0.97 0.394 0.0199 1.29 1.6012 0.9904 1641629 Enamine_001525 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F08 compound treatment 0.415 0.0235 0.86 0.406 0.0319 2.07 2.0724 0.9251 2061194 Enamine_001526 OCc1ccccc1NS(=O)(=O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F09 compound treatment 0.42 0.0285 1.05 0.407 0.0329 2.13 2.248 0.9465 2061195 Enamine_001527 Cc1cc(C)n2c(SCc3ccccc3)nnc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F10 compound treatment 0.412 0.0205 0.75 0.404 0.0299 1.94 1.903 0.9154 1246321 Enamine_001528 CCNC(=O)c1cc(nc2ccccc12)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F11 compound treatment 0.372 -0.0195 -0.71 0.378 0.00394 0.25 -0.3254 -0.4287 1334740 Enamine_001529 CCc1cc(C(=O)COc2ccc3ccccc3c2)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F12 compound treatment 0.406 0.0145 0.53 0.384 0.00994 0.64 0.832 0.9957 1647729 Enamine_001530 CC(C)NC(=O)c1ccccc1NS(=O)(=O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F13 compound treatment 0.454 0.0625 2.3 0.43 0.0559 3.62 4.1833 0.9759 2061196 Enamine_001531 O=C(C1CC1)/C(=C/2\Nc3ccccc3S2)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F14 compound treatment 0.404 0.0125 0.46 0.395 0.0209 1.35 1.2835 0.8969 1408378 Enamine_001532 O=C(CC(=O)N1CCCCC1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F15 compound treatment 0.412 0.0205 0.75 0.384 0.00994 0.64 0.9878 0.9969 2061197 Enamine_001533 COc1ccc(/C=C/C(=O)Nc2cc(C)nc3ccccc23)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F16 compound treatment 0.435 0.0435 1.6 0.412 0.0379 2.46 2.8663 0.9784 2061198 Enamine_001534 Clc1cccc(NCn2nnc3ccccc23)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F17 compound treatment 0.415 0.0235 0.86 0.4 0.0259 1.68 1.7979 0.9523 2061199 Enamine_001535 Fc1cccc(/C=C/C(=O)NCCCn2ccnc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F18 compound treatment 0.436 0.0445 1.64 0.417 0.0429 2.78 3.1211 0.9681 1634998 Enamine_001536 COc1ccc(CC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F19 compound treatment 0.416 0.0245 0.9 0.401 0.0269 1.74 1.8696 0.9528 1613543 Enamine_001537 COc1ccc(cc1)C(C#Cc2ccccc2)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F20 compound treatment 0.402 0.0105 0.39 0.384 0.00994 0.64 0.7282 0.9704 1486557 Enamine_001538 Clc1ccc(CSCC(=O)NCc2ccc3OCOc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F21 compound treatment 0.402 0.0105 0.39 0.38 0.00594 0.38 0.5451 1.0 2061200 Enamine_001539 COc1ccc(cc1)C(=O)N/C(=C\c2cccc3ccccc23)/C(=O)N4CCN(C)CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F22 compound treatment 0.418 0.0265 0.97 0.4 0.0259 1.68 1.8758 0.9665 1154037 Enamine_001540 Fc1ccc(NC(=O)COC(=O)c2ccc(cc2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F23 mock treatment 0.402 0.0105 0.39 0.382 0.00794 0.51 0.6367 0.9902 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 F24 mock treatment 0.396 0.00453 0.17 0.373 -0.00106 -0.07 0.069 0.3835 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G01 compound treatment 0.398 0.00653 0.24 0.386 0.0119 0.77 0.7158 0.885 1623762 Enamine_001541 CCc1cc2cc(sc2s1)C(=O)N3CCN(CC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G02 compound treatment 0.399 0.00753 0.28 0.37 -0.00406 -0.26 0.0097 0.0253 1552664 Enamine_001542 CC(C)CNC(=O)c1cccc(c1)S(=O)(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G03 compound treatment 0.391 -4.69E-4 -0.02 0.365 -0.00906 -0.59 -0.4269 -0.7275 2061201 Enamine_001543 ONC(=O)C1CC2CC1C=C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G04 compound treatment 0.401 0.00953 0.35 0.385 0.0109 0.71 0.748 0.9473 2061202 Enamine_001544 C[N+](C)(C)CCN1C(=O)CSC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G05 compound treatment 0.393 0.00153 0.06 0.372 -0.00206 -0.13 -0.0546 -0.3771 1193323 Enamine_001545 CC(C)NC(=O)c1c2CCCCc2nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G06 compound treatment 0.418 0.0265 0.97 0.423 0.0489 3.17 2.9282 0.8838 2061203 Enamine_001546 CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G07 compound treatment 0.484 0.0925 3.4 0.477 0.103 6.66 7.1129 0.9512 2061204 Enamine_001547 COc1ccc(/C=C/C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G08 compound treatment 0.411 0.0195 0.72 0.389 0.0149 0.97 1.1907 0.9892 2061205 Enamine_001548 COc1ccc(/C=C/C(=O)N2CCN(CC2)c3ccccc3)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G09 compound treatment 0.433 0.0415 1.53 0.419 0.0449 2.91 3.1347 0.9546 1491907 Enamine_001549 CCOc1ccccc1NC(=O)COc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G10 compound treatment 0.399 0.00753 0.28 0.382 0.00794 0.51 0.5588 0.9578 2061206 Enamine_001550 COc1ccc(/C=C/C(=O)NCC(C)C)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G11 compound treatment 0.437 0.0455 1.67 0.42 0.0459 2.97 3.2843 0.963 2061207 Enamine_001551 O/C(=C/1\C(=O)Nc2ccccc12)/C(=O)Nc3cccc(I)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G12 compound treatment 0.406 0.0145 0.53 0.379 0.00494 0.32 0.6033 0.9699 1694356 Enamine_001552 Fc1ccccc1OCC(=O)NCc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G13 compound treatment 0.404 0.0125 0.46 0.385 0.0109 0.71 0.8259 0.9783 1607347 Enamine_001553 Clc1cccc(N2C(=O)CC(N3CCSC3=S)C2=O)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G14 compound treatment 0.402 0.0105 0.39 0.378 0.00394 0.25 0.4536 0.9795 2061208 Enamine_001554 Brc1ccccc1NC2=CC(=O)CCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G15 compound treatment 0.398 0.00653 0.24 0.382 0.00794 0.51 0.5328 0.9399 2061209 Enamine_001555 CN(C)c1cccc2c(C#N)ccc(N(C)C)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G16 compound treatment 0.428 0.0365 1.34 0.41 0.0359 2.33 2.593 0.9658 1669206 Enamine_001556 O=C(COc1ccc(cc1)c2ccccc2)NCc3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G17 compound treatment 0.405 0.0135 0.5 0.394 0.0199 1.29 1.2637 0.914 2061210 Enamine_001557 C[N+]1(CC(=O)OCCCc2ccccc2)CCCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G18 compound treatment 0.404 0.0125 0.46 0.389 0.0149 0.97 1.0089 0.9424 2061211 Enamine_001558 C(NC1=NCCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G19 compound treatment 0.405 0.0135 0.5 0.394 0.0199 1.29 1.2637 0.914 1560598 Enamine_001559 OC(=O)CNC(=O)c1cc(nc2ccccc12)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G20 compound treatment 0.394 0.00253 0.09 0.378 0.00394 0.25 0.2459 0.9066 2061212 Enamine_001560 C(NC1=NCCCCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G21 compound treatment 0.396 0.00453 0.17 0.373 -0.00106 -0.07 0.069 0.3835 1115004 Enamine_001561 OC(=O)CNC(=O)C(c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G22 compound treatment 0.394 0.00253 0.09 0.373 -0.00106 -0.07 0.0171 0.148 2061213 Enamine_001562 FC(F)(F)c1nc2ccccc2n1CC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G23 mock treatment 0.394 0.00253 0.09 0.37 -0.00406 -0.26 -0.1202 -0.4309 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 G24 mock treatment 0.391 -4.69E-4 -0.02 0.378 0.00394 0.25 0.168 0.6578 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H01 compound treatment 0.393 0.00153 0.06 0.371 -0.00306 -0.2 -0.1004 -0.4872 2061214 Enamine_001563 CCN1CCN(CC1)C(=O)c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H02 compound treatment 0.389 -0.00247 -0.09 0.361 -0.0131 -0.85 -0.6618 -0.7785 2061215 Enamine_001564 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc4ccccc24)C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H03 compound treatment 0.419 0.0275 1.01 0.377 0.00294 0.19 0.8493 0.8256 2061216 Enamine_001565 O=C/1Nc2ccccc2\C1=C/3\SC(=O)N(C3=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H04 compound treatment 0.4 0.00853 0.31 0.369 -0.00506 -0.33 -0.0101 -0.0223 1606576 Enamine_001566 COc1ccc2c(cc(=O)oc2c1OC)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H05 compound treatment 0.402 0.0105 0.39 0.374 -6.25E-5 0.0 0.2706 0.6997 1316777 Enamine_001567 CC(NC(=O)COc1ccccc1F)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H06 compound treatment 0.397 0.00553 0.2 0.378 0.00394 0.25 0.3238 0.9937 1640333 Enamine_001568 CCC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H07 compound treatment 0.404 0.0125 0.46 0.378 0.00394 0.25 0.5056 0.9611 2061217 Enamine_001569 Cn1c(N/C(=C\C(=O)c2cccs2)/C(F)(F)F)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H08 compound treatment 0.399 0.00753 0.28 0.394 0.0199 1.29 1.1079 0.8396 1348642 Enamine_001570 CC(=O)N1CCN(CC1)C(=O)c2cn(nc2c3ccc(C)cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H09 compound treatment 0.395 0.00353 0.13 0.385 0.0109 0.71 0.5922 0.823 2061218 Enamine_001571 CC1CCCCN1c2ccc(cn2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H10 compound treatment 0.397 0.00553 0.2 0.378 0.00394 0.25 0.3238 0.9937 1534977 Enamine_001572 O=C(N1CCCC1)c2cccc(c2)S(=O)(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H11 compound treatment 0.444 0.0525 1.93 0.438 0.0639 4.14 4.2897 0.9397 2061219 Enamine_001573 Clc1ccc(cc1)c2cc([nH]n2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H12 compound treatment 0.397 0.00553 0.2 0.386 0.0119 0.77 0.6899 0.8637 2061220 Enamine_001574 CC(NC(=O)c1ccc(cc1)C(F)(F)F)C(N2CCOCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H13 compound treatment 0.419 0.0275 1.01 0.408 0.0339 2.2 2.2678 0.938 1658648 Enamine_001575 O=C(C(C#N)c1ccc2ccccc2n1)c3cc4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H14 compound treatment 0.402 0.0105 0.39 0.377 0.00294 0.19 0.4079 0.9465 1277438 Enamine_001576 Fc1cccc(F)c1NC(=O)c2cccc(Oc3ccccc3)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H15 compound treatment 0.399 0.00753 0.28 0.385 0.0109 0.71 0.696 0.916 1624716 Enamine_001577 CC(NC(=O)c1cccc(c1)S(=O)(=O)N(C)C)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H16 compound treatment 0.473 0.0815 2.99 0.495 0.121 7.83 7.6509 0.9131 2061221 Enamine_001578 Clc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)OCC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H17 compound treatment 0.412 0.0205 0.75 0.401 0.0269 1.74 1.7657 0.9297 1476615 Enamine_001579 O=C(Nc1nccs1)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H18 compound treatment 0.394 0.00253 0.09 0.388 0.0139 0.9 0.7035 0.7759 1172124 Enamine_001580 Fc1ccc(NC(=O)COC(=O)C2CCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H19 compound treatment 0.395 0.00353 0.13 0.39 0.0159 1.03 0.821 0.7898 2061222 Enamine_001581 C(=N/n1cnnc1)\c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H20 compound treatment 0.455 0.0635 2.33 0.429 0.0549 3.56 4.1635 0.9791 1572542 Enamine_001582 O=C(COC(=O)c1cc(nc2ccccc12)c3ccccc3)NCc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H21 compound treatment 0.399 0.00753 0.28 0.385 0.0109 0.71 0.696 0.916 2061223 Enamine_001583 Cc1nc(=O)c(c(C)n1c2cccc(/C=C/C(=O)O)c2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H22 compound treatment 0.404 0.0125 0.46 0.383 0.00894 0.58 0.7344 0.9936 1632870 Enamine_001584 CCN(CC)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H23 mock treatment 0.397 0.00553 0.2 0.38 0.00594 0.38 0.4153 0.9556 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 H24 mock treatment 0.397 0.00553 0.2 0.386 0.0119 0.77 0.6899 0.8637 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I01 compound treatment 0.39 -0.00147 -0.05 0.37 -0.00406 -0.26 -0.224 -0.8348 2061224 Enamine_001585 CCOC(=O)c1cc2c(cc(=O)[nH]c2o1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I02 compound treatment 0.422 0.0305 1.12 0.393 0.0189 1.23 1.6593 0.999 1124839 Enamine_001586 Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I03 compound treatment 0.409 0.0175 0.64 0.378 0.00394 0.25 0.6354 0.9177 2061225 Enamine_001587 CCN1CCN(CC1)C(=O)/C=C/c2ccc(OC)c(OC)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I04 compound treatment 0.4 0.00853 0.31 0.39 0.0159 1.03 0.9508 0.8821 1057861 Enamine_001588 O=C(NCCN1C(=O)CSC1=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I05 compound treatment 0.406 0.0145 0.53 0.386 0.0119 0.77 0.9236 0.9837 1660592 Enamine_001589 COc1ccc2c(c1)C(C)CC(C)[N+]2(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I06 compound treatment 0.406 0.0145 0.53 0.385 0.0109 0.71 0.8778 0.9903 1008216 Enamine_001590 OCNC(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I07 compound treatment 0.478 0.0865 3.18 0.466 0.0919 5.95 6.4538 0.9568 2061226 Enamine_001591 COc1ccc(/C=C/C(=O)Nc2ccccc2N3CCCCC3)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I08 compound treatment 0.413 0.0215 0.79 0.388 0.0139 0.9 1.1968 0.9978 1716622 Enamine_001592 CCN(CC)C(=O)c1cccc(c1)S(=O)(=O)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I09 compound treatment 0.408 0.0165 0.61 0.402 0.0279 1.81 1.7076 0.8954 1515614 Enamine_001593 COc1cccc(NC(=O)COc2ccccc2F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I10 compound treatment 0.407 0.0155 0.57 0.388 0.0139 0.9 1.041 0.9756 1592615 Enamine_001594 CC(C)c1ccccc1NC(=O)COc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I11 compound treatment 0.434 0.0425 1.56 0.409 0.0349 2.26 2.7031 0.9837 1508391 Enamine_001595 COC(=O)C(NC(=O)c1cn(nc1c2ccc(Cl)cc2)c3ccccc3)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I12 compound treatment 0.428 0.0365 1.34 0.401 0.0269 1.74 2.1812 0.9916 1650455 Enamine_001596 COc1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I13 compound treatment 0.406 0.0145 0.53 0.383 0.00894 0.58 0.7863 0.9992 1742020 Enamine_001597 CCOC(=O)c1ccc(N(C)C)c2c(cccc12)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I14 compound treatment 0.375 -0.0165 -0.6 0.368 -0.00606 -0.39 -0.705 -0.978 2061227 Enamine_001598 Brc1cc(/C=N/n2cnnc2)oc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I15 compound treatment 0.397 0.00553 0.2 0.385 0.0109 0.71 0.6441 0.8747 1255175 Enamine_001599 CN(C)c1ccc2COCc3ccc(N(C)C)c1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I16 compound treatment 0.399 0.00753 0.28 0.38 0.00594 0.38 0.4672 0.987 1355920 Enamine_001600 CC(C)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I17 compound treatment 0.547 0.156 5.71 0.571 0.197 12.74 13.0501 0.9345 2061228 Enamine_001601 CC(C)N1C(=O)/C(=C\c2cccc3ccccc23)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I18 compound treatment 0.496 0.105 3.84 0.494 0.12 7.76 8.2024 0.9473 1689800 Enamine_001602 CCCCC(=O)Nc1ncc(Cc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I19 compound treatment 0.399 0.00753 0.28 0.387 0.0129 0.84 0.7876 0.8932 2061229 Enamine_001603 Fc1c(F)c(F)c(/N=C/2\CCCCCN2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I20 compound treatment 0.404 0.0125 0.46 0.394 0.0199 1.29 1.2377 0.9036 1082427 Enamine_001604 NNc1nc2ccccc2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I21 compound treatment 0.406 0.0145 0.53 0.39 0.0159 1.03 1.1066 0.953 2061230 Enamine_001605 CCOC(=O)Cn1ccc(n1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I22 compound treatment 0.407 0.0155 0.57 0.39 0.0159 1.03 1.1326 0.961 2061231 Enamine_001606 CCN(CC)C(=O)/C=C/c1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I23 mock treatment 0.399 0.00753 0.28 0.378 0.00394 0.25 0.3757 0.9992 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 I24 mock treatment 0.401 0.00953 0.35 0.387 0.0129 0.84 0.8395 0.9251 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J01 compound treatment 0.388 -0.00347 -0.13 0.361 -0.0131 -0.85 -0.6878 -0.8046 2061232 Enamine_001607 OC(=O)CC1(CC2CC3CC(C2)C1(F)F)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J02 compound treatment 0.393 0.00153 0.06 0.366 -0.00806 -0.52 -0.3292 -0.6273 1133656 Enamine_001608 CCOc1ccc2nc(NC(=O)C(CC)CC)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J03 compound treatment 0.396 0.00453 0.17 0.374 -6.25E-5 0.0 0.1148 0.6897 1699336 Enamine_001609 COc1cc2CCN(CC#N)Cc2cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J04 compound treatment 0.395 0.00353 0.13 0.368 -0.00606 -0.39 -0.1857 -0.4495 1167730 Enamine_001610 CCOc1ccc2c3CCCc3c(=O)oc2c1OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J05 compound treatment 0.399 0.00753 0.28 0.371 -0.00306 -0.2 0.0554 0.1629 3229 Enamine_001611 COC(=O)c1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J06 compound treatment 0.395 0.00353 0.13 0.373 -0.00106 -0.07 0.0431 0.2935 1219138 Enamine_001612 OC(=O)C(c1cn2cc(Cl)ccc2n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J07 compound treatment 0.426 0.0345 1.27 0.411 0.0369 2.39 2.5868 0.956 2061233 Enamine_001613 Nc1ccc(cc1)c2ncc(o2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J08 compound treatment 0.396 0.00453 0.17 0.371 -0.00306 -0.2 -0.0225 -0.0868 1623963 Enamine_001614 CN(C1CCN(C)CC1)C(=O)c2cn(nc2c3ccc(C)cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J09 compound treatment 0.397 0.00553 0.2 0.366 -0.00806 -0.52 -0.2253 -0.4024 1591266 Enamine_001615 Cn1c(CNc2ccc(Br)cc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J10 compound treatment 0.39 -0.00147 -0.05 0.369 -0.00506 -0.33 -0.2698 -0.8126 2061234 Enamine_001616 OC(=O)c1cn(CCC#N)nc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J11 compound treatment 0.396 0.00453 0.17 0.369 -0.00506 -0.33 -0.114 -0.3102 2061235 Enamine_001617 NC1=NC(=O)CC(S1)C(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J12 compound treatment 0.395 0.00353 0.13 0.374 -6.25E-5 0.0 0.0888 0.6847 1169165 Enamine_001618 Cc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NC(C)(C)C)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J13 compound treatment 0.39 -0.00147 -0.05 0.368 -0.00606 -0.39 -0.3155 -0.7968 1171359 Enamine_001619 O=C(NCC1CCCO1)c2cc(nc3ccccc23)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J14 compound treatment 0.382 -0.00947 -0.35 0.373 -0.00106 -0.07 -0.2945 -0.8308 1456016 Enamine_001620 CC(C)c1ccc(C)cc1OCC(O)CN(C)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J15 compound treatment 0.42 0.0285 1.05 0.397 0.0229 1.48 1.7904 0.9855 1402238 Enamine_001621 CN(C(=O)c1cc(nc2ccccc12)c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J16 compound treatment 0.439 0.0475 1.75 0.43 0.0559 3.62 3.7938 0.944 2061236 Enamine_001622 COc1ncnc2sc(cc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J17 compound treatment 0.385 -0.00647 -0.24 0.359 -0.0151 -0.97 -0.8572 -0.8544 1436585 Enamine_001623 COc1ccc(cc1OC)c2cn3cc(Cl)ccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J18 compound treatment 0.386 -0.00547 -0.2 0.368 -0.00606 -0.39 -0.4194 -0.9516 1483695 Enamine_001624 Cc1ccccc1C(=O)OCC(=O)Nc2cccc(C#N)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J19 compound treatment 0.404 0.0125 0.46 0.383 0.00894 0.58 0.7344 0.9936 2061237 Enamine_001625 CCCOc1ccccc1NC(=O)/C=C/C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J20 compound treatment 0.397 0.00553 0.2 0.377 0.00294 0.19 0.278 0.9995 1394359 Enamine_001626 CC(C)(C)C(=O)OCC(=O)Nc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J21 compound treatment 0.394 0.00253 0.09 0.37 -0.00406 -0.26 -0.1202 -0.4309 1514997 Enamine_001627 OC(=O)C(Cc1ccccc1)N2C(=O)CCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J22 compound treatment 0.404 0.0125 0.46 0.387 0.0129 0.84 0.9174 0.9603 1404571 Enamine_001628 Clc1ccc(CC(=O)OCC(=O)Nc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J23 mock treatment 0.392 5.31E-4 0.02 0.364 -0.0101 -0.65 -0.4466 -0.6856 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 J24 mock treatment 0.393 0.00153 0.06 0.379 0.00494 0.32 0.2657 0.819 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K01 compound treatment 0.4 0.00853 0.31 0.376 0.00194 0.13 0.3102 0.9192 2061238 Enamine_001629 Cc1nnc(C)n1/N=C/c2ccc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K02 compound treatment 0.404 0.0125 0.46 0.368 -0.00606 -0.39 0.048 0.0794 2061239 Enamine_001630 O=C(NC1CCN(Cc2ccccc2)CC1)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K03 compound treatment 0.399 0.00753 0.28 0.372 -0.00206 -0.13 0.1012 0.3295 1383802 Enamine_001631 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K04 compound treatment 0.401 0.00953 0.35 0.388 0.0139 0.9 0.8852 0.915 2061240 Enamine_001632 COc1ccc2nc(C)cc(Cl)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K05 compound treatment 0.41 0.0185 0.68 0.388 0.0139 0.9 1.1189 0.9904 1186320 Enamine_001633 CC(C)CNC(=O)c1cccc(c1)S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K06 compound treatment 0.406 0.0145 0.53 0.4 0.0259 1.68 1.5642 0.8881 2061241 Enamine_001634 CC1CC(C)CN(C1)C(=O)c2cc(C)cc(C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K07 compound treatment 0.397 0.00553 0.2 0.379 0.00494 0.32 0.3696 0.9761 2061242 Enamine_001635 COc1ccc(/C=C/C(=O)Nc2ccncc2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K08 compound treatment 0.404 0.0125 0.46 0.391 0.0169 1.1 1.1004 0.9257 2061243 Enamine_001636 COc1ccc(/C=C/C(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K09 compound treatment 0.397 0.00553 0.2 0.374 -6.25E-5 0.0 0.1408 0.6929 1512470 Enamine_001637 CN(C1CCCCC1)C(=O)c2cccc(c2)S(=O)(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K10 compound treatment 0.404 0.0125 0.46 0.381 0.00694 0.45 0.6428 0.9999 1247300 Enamine_001638 COc1ccc(OCC(=O)NC(C)CCc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K11 compound treatment 0.597 0.206 7.55 0.562 0.188 12.16 13.9366 0.9737 1140308 Enamine_001639 COc1ccc(c2cc3ccccn3c2C(=O)c4cccnc4)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K12 compound treatment 0.405 0.0135 0.5 0.387 0.0129 0.84 0.9434 0.969 2061244 Enamine_001640 OC(=O)C(Br)(Cc1ccccc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K13 compound treatment 0.399 0.00753 0.28 0.379 0.00494 0.32 0.4215 0.9974 2061245 Enamine_001641 CCOc1ccccc1C2CCC=C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K14 compound treatment 0.407 0.0155 0.57 0.381 0.00694 0.45 0.7207 0.993 2061246 Enamine_001642 Cc1ncsc1CCOC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K15 compound treatment 0.463 0.0715 2.63 0.442 0.0679 4.4 4.9661 0.9697 2061247 Enamine_001643 CNc1cccc2cccc(OC)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K16 compound treatment 0.419 0.0275 1.01 0.417 0.0429 2.78 2.6796 0.9063 1321672 Enamine_001644 OC(=O)Cc1ccc2sc(nc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K17 compound treatment 0.365 -0.0265 -0.97 0.352 -0.0221 -1.43 -1.6968 -0.9824 1681932 Enamine_001645 COC(=O)c1c(C)cc(O)n2c3ccccc3nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K18 compound treatment 0.402 0.0105 0.39 0.382 0.00794 0.51 0.6367 0.9902 1177130 Enamine_001646 O=C(N1CCOCC1)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K19 compound treatment 0.394 0.00253 0.09 0.391 0.0169 1.1 0.8408 0.7643 2061248 Enamine_001647 Fc1ccc2n3CCCCCc3[n+](CC=C)c2c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K20 compound treatment 0.394 0.00253 0.09 0.382 0.00794 0.51 0.4289 0.8217 1514670 Enamine_001648 Cc1ccc(cc1)C(=O)NCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K21 compound treatment 0.404 0.0125 0.46 0.391 0.0169 1.1 1.1004 0.9257 2061249 Enamine_001649 CC(C1C(=C(N)Oc2n[nH]c(c12)c3ccccc3)C#N)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K22 compound treatment 0.401 0.00953 0.35 0.388 0.0139 0.9 0.8852 0.915 1402035 Enamine_001650 Fc1cc(C(=O)NCc2cn3ccccc3n2)c(F)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K23 mock treatment 0.394 0.00253 0.09 0.373 -0.00106 -0.07 0.0171 0.148 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 K24 mock treatment 0.39 -0.00147 -0.05 0.38 0.00594 0.38 0.2336 0.6019 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L01 compound treatment 0.411 0.0195 0.72 0.39 0.0159 1.03 1.2364 0.9842 2061250 Enamine_001651 CC(C)c1ccc(cc1)c2csc3nc[nH]c(=O)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L02 compound treatment 0.412 0.0205 0.75 0.382 0.00794 0.51 0.8963 0.9825 1234403 Enamine_001652 O=C(N(c1ccccc1)c2ccccc2)c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L03 compound treatment 0.405 0.0135 0.5 0.392 0.0179 1.16 1.1721 0.9283 1638756 Enamine_001653 Cc1nc2n(CC(=O)N3CCCCC3)c4ccccc4n2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L04 compound treatment 0.4 0.00853 0.31 0.389 0.0149 0.97 0.905 0.8907 1486402 Enamine_001654 CN(C)C(=O)COc1ccc2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L05 compound treatment 0.416 0.0245 0.9 0.396 0.0219 1.42 1.6408 0.9759 1467815 Enamine_001655 CCC(O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L06 compound treatment 0.763 0.372 13.64 0.702 0.328 21.22 24.6531 0.9772 1623207 Enamine_001656 CCN(CC)c1ccc2cc(C(=O)N)c(=Nc3ccccc3)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L07 compound treatment 0.458 0.0665 2.44 0.449 0.0749 4.85 5.1566 0.9496 2061251 Enamine_001657 NC1=NC(=O)CC(S1)C(=O)Nc2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L08 compound treatment 0.406 0.0145 0.53 0.391 0.0169 1.1 1.1524 0.9453 1311480 Enamine_001658 COC(=O)CNC(=O)c1cn(nc1c2ccc(C)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L09 compound treatment 0.422 0.0305 1.12 0.386 0.0119 0.77 1.339 0.9835 2061252 Enamine_001659 Cc1ccc2nc(O)nc(c3ccccc3)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L10 compound treatment 0.399 0.00753 0.28 0.388 0.0139 0.9 0.8333 0.8833 2061253 Enamine_001660 ClCc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L11 compound treatment 0.441 0.0495 1.82 0.414 0.0399 2.58 3.1136 0.9852 1678572 Enamine_001661 Cc1ccc(cc1)c2nc3ccccc3nc2NN 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L12 compound treatment 0.399 0.00753 0.28 0.391 0.0169 1.1 0.9706 0.8586 2061254 Enamine_001662 Fc1ccccc1N2CCN(CC2)C(=O)/C=C/C(=O)N3CCN(CC3)c4ccccc4F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L13 compound treatment 0.421 0.0295 1.08 0.411 0.0369 2.39 2.457 0.9361 1643285 Enamine_001663 COc1ccc2nc(sc2c1)N3CCCC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L14 compound treatment 0.41 0.0185 0.68 0.401 0.0269 1.74 1.7138 0.9158 2061255 Enamine_001664 Fc1ccc(cc1F)N/2Cc3ccccc3\C2=N\C(=O)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L15 compound treatment 0.411 0.0195 0.72 0.396 0.0219 1.42 1.511 0.95 1366322 Enamine_001665 Fc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L16 compound treatment 0.399 0.00753 0.28 0.399 0.0249 1.61 1.3367 0.8164 1254462 Enamine_001666 Cc1cc2nnc(SCC(=O)N)n2c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L17 compound treatment 0.418 0.0265 0.97 0.42 0.0459 2.97 2.7909 0.8922 1306495 Enamine_001667 Cc1ccc(cc1)N(Cc2ccco2)C(=O)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L18 compound treatment 0.524 0.133 4.87 0.533 0.159 10.29 10.714 0.9416 2061256 Enamine_001668 OC(=O)COc1ccccc1/C=C\2/C(=O)Nc3ccc(Cl)cc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L19 compound treatment 0.39 -0.00147 -0.05 0.358 -0.0161 -1.04 -0.7731 -0.7428 2061257 Enamine_001669 Cc1nc2ccccc2n1CCOc3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L20 compound treatment 0.405 0.0135 0.5 0.39 0.0159 1.03 1.0806 0.9439 1251426 Enamine_001670 CC1Cc2ccccc2N1C(=O)CSC3=NCCS3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L21 compound treatment 0.396 0.00453 0.17 0.384 0.00994 0.64 0.5724 0.8617 1699467 Enamine_001671 OC(COC(c1ccc(Cl)cc1)c2ccc(Cl)cc2)CN3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L22 compound treatment 0.4 0.00853 0.31 0.383 0.00894 0.58 0.6305 0.9585 1577067 Enamine_001672 CC1Cc2ccccc2N1C(=O)CSc3nncn3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L23 mock treatment 0.402 0.0105 0.39 0.386 0.0119 0.77 0.8197 0.9488 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 L24 mock treatment 0.394 0.00253 0.09 0.383 0.00894 0.58 0.4747 0.8104 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M01 compound treatment 0.391 -4.69E-4 -0.02 0.381 0.00694 0.45 0.3053 0.6795 2061258 Enamine_001673 Cc1nnc(C)n1/N=C/c2ccccc2C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M02 compound treatment 0.445 0.0535 1.97 0.425 0.0509 3.3 3.7208 0.9695 1599893 Enamine_001674 Fc1ccccc1OCC(=O)Nc2ccc(I)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M03 compound treatment 0.381 -0.0105 -0.38 0.358 -0.0161 -1.04 -1.0068 -0.9085 1723872 Enamine_001675 CCc1ccc(OCC(=O)c2ccc(O)c(CN(C)C)c2O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M04 compound treatment 0.419 0.0275 1.01 0.404 0.0299 1.94 2.0848 0.954 1252886 Enamine_001676 CCNc1ccc(cc1)C2(O)C(=O)c3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M05 compound treatment 0.403 0.0115 0.42 0.387 0.0129 0.84 0.8914 0.9501 2061259 Enamine_001677 CC(=O)Nc1scc(C)[n+]1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M06 compound treatment 0.465 0.0735 2.7 0.421 0.0469 3.04 4.0571 0.9983 1277644 Enamine_001678 CCOC(=O)c1cc(C)sc1NC(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M07 compound treatment 0.391 -4.69E-4 -0.02 0.369 -0.00506 -0.33 -0.2438 -0.7432 1236078 Enamine_001679 Nc1nc2ccccc2n1Cc3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M08 compound treatment 0.406 0.0145 0.53 0.397 0.0229 1.48 1.4269 0.9046 2061260 Enamine_001680 CCCCn1c(CO)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M09 compound treatment 0.401 0.00953 0.35 0.389 0.0149 0.97 0.931 0.9056 1294751 Enamine_001681 CC(C)c1ccccc1NC(=O)c2cccc(c2)S(=O)(=O)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M10 compound treatment 0.403 0.0115 0.42 0.376 0.00194 0.13 0.3881 0.8788 2061261 Enamine_001682 CC(NC(=O)/C=C/c1cccs1)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M11 compound treatment 0.398 0.00653 0.24 0.387 0.0129 0.84 0.7616 0.8745 1062275 Enamine_001683 COC(=O)Cc1cccc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M12 compound treatment 0.403 0.0115 0.42 0.387 0.0129 0.84 0.8914 0.9501 1212488 Enamine_001684 COc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M13 compound treatment 0.394 0.00253 0.09 0.383 0.00894 0.58 0.4747 0.8104 2061262 Enamine_001685 COC(=O)C1(CC2CC3CC(Br)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M14 compound treatment 0.419 0.0275 1.01 0.417 0.0429 2.78 2.6796 0.9063 1382416 Enamine_001686 CC(=O)Nc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M15 compound treatment 0.405 0.0135 0.5 0.386 0.0119 0.77 0.8976 0.9772 2061263 Enamine_001687 Cc1nc2cccc3cccc(n1c4ccccc4)c32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M16 compound treatment 0.405 0.0135 0.5 0.387 0.0129 0.84 0.9434 0.969 2061264 Enamine_001688 COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M17 compound treatment 0.404 0.0125 0.46 0.383 0.00894 0.58 0.7344 0.9936 1236741 Enamine_001689 O=C(NCc1ccco1)c2cc(nc3ccccc23)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M18 compound treatment 0.422 0.0305 1.12 0.42 0.0459 2.97 2.8948 0.9111 1126942 Enamine_001690 OC(=O)c1c(NC(=O)c2ccccc2)sc3CCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M19 compound treatment 0.402 0.0105 0.39 0.395 0.0209 1.35 1.2315 0.874 2061265 Enamine_001691 O=C1N/C(=N\c2ccccc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M20 compound treatment 0.405 0.0135 0.5 0.381 0.00694 0.45 0.6688 0.9987 1407020 Enamine_001692 OC(CN1C(=O)CCC1=O)Cn2c3ccccc3c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M21 compound treatment 0.394 0.00253 0.09 0.375 9.37E-4 0.06 0.1086 0.9786 2061266 Enamine_001693 Cc1ccnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M22 compound treatment 0.396 0.00453 0.17 0.383 0.00894 0.58 0.5266 0.875 1491038 Enamine_001694 CCCOc1ccc2c3CCCc3c(=O)oc2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M23 mock treatment 0.393 0.00153 0.06 0.375 9.37E-4 0.06 0.0827 0.9993 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 M24 mock treatment 0.39 -0.00147 -0.05 0.374 -6.25E-5 0.0 -0.041 -0.758 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N01 compound treatment 0.394 0.00253 0.09 0.37 -0.00406 -0.26 -0.1202 -0.4309 1584564 Enamine_001695 OC(=O)C1CC2CC=CC(C1)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N02 compound treatment 0.393 0.00153 0.06 0.378 0.00394 0.25 0.2199 0.8429 1649164 Enamine_001696 CN(C1CCCCC1)C(=O)c2ccccc2NS(=O)(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N03 compound treatment 0.375 -0.0165 -0.6 0.349 -0.0251 -1.62 -1.5744 -0.9096 1638543 Enamine_001697 CC1(C)CC(=O)C2=C(C1)Oc3ccccc3C2CC(=O)c4ccc(O)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N04 compound treatment 0.389 -0.00247 -0.09 0.373 -0.00106 -0.07 -0.1127 -0.9907 1913594 Enamine_001698 c1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N05 compound treatment 0.395 0.00353 0.13 0.38 0.00594 0.38 0.3634 0.8961 2061267 Enamine_001699 CN1/C(=C/C(=O)C2CC2)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N06 compound treatment 0.391 -4.69E-4 -0.02 0.372 -0.00206 -0.13 -0.1065 -0.7917 2061268 Enamine_001700 Brc1ccc(cc1)C(Sc2ccccc2)C(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N07 compound treatment 0.397 0.00553 0.2 0.379 0.00494 0.32 0.3696 0.9761 1216123 Enamine_001701 C1C(Nc2nnnn2C1c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N08 compound treatment 0.386 -0.00547 -0.2 0.382 0.00794 0.51 0.2212 0.4011 2061269 Enamine_001702 Brc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)NCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N09 compound treatment 0.423 0.0315 1.16 0.408 0.0339 2.2 2.3717 0.9553 2061270 Enamine_001703 CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc(c2)C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N10 compound treatment 0.432 0.0405 1.49 0.391 0.0169 1.1 1.8275 0.9887 2061271 Enamine_001704 CCc1ccc(cc1)c2nn(cc2/C=N\O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N11 compound treatment 0.396 0.00453 0.17 0.385 0.0109 0.71 0.6181 0.8502 1356596 Enamine_001705 COc1ccc(NC2CC(C)Nc3ccc(OC)cc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N12 compound treatment 0.398 0.00653 0.24 0.379 0.00494 0.32 0.3955 0.99 1920042 Enamine_001706 OC(c1ccccc1O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N13 compound treatment 0.412 0.0205 0.75 0.394 0.0199 1.29 1.4454 0.9673 1249418 Enamine_001707 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N14 compound treatment 0.396 0.00453 0.17 0.383 0.00894 0.58 0.5266 0.875 2061272 Enamine_001708 OC(=O)c1cc(Cl)nnc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N15 compound treatment 0.437 0.0455 1.67 0.418 0.0439 2.84 3.1928 0.968 1724599 Enamine_001709 COc1ccc(NCC(=O)n2c(C)c(C)c3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N16 compound treatment 0.397 0.00553 0.2 0.386 0.0119 0.77 0.6899 0.8637 1205478 Enamine_001710 CCC(C)NC(=O)c1c(C)onc1c2c(F)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N17 compound treatment 0.408 0.0165 0.61 0.394 0.0199 1.29 1.3416 0.9409 1438349 Enamine_001711 CC1CC(C)CN(C1)C(=O)COc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N18 compound treatment 0.395 0.00353 0.13 0.382 0.00794 0.51 0.4549 0.8587 1299502 Enamine_001712 CC1CCCN(C1)C(=O)COc2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N19 compound treatment 0.445 0.0535 1.97 0.417 0.0429 2.78 3.3548 0.9856 1356501 Enamine_001713 COc1ccc(cc1)c2csc(NCc3ccccc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N20 compound treatment 0.393 0.00153 0.06 0.379 0.00494 0.32 0.2657 0.819 1323996 Enamine_001714 O=C(CSc1nc2ccccc2[nH]1)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N21 compound treatment 0.397 0.00553 0.2 0.383 0.00894 0.58 0.5526 0.9015 2061273 Enamine_001715 CC(C)C(=O)Nc1cc(C)nn1c2nc(C)cc(C)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N22 compound treatment 0.389 -0.00247 -0.09 0.374 -6.25E-5 0.0 -0.067 -0.7379 2061274 Enamine_001716 O=C(CSc1ccc2ccccc2c1)Nc3ccccc3N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N23 mock treatment 0.396 0.00453 0.17 0.374 -6.25E-5 0.0 0.1148 0.6897 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 N24 mock treatment 0.392 5.31E-4 0.02 0.377 0.00294 0.19 0.1482 0.7756 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O01 compound treatment 0.384 -0.00747 -0.27 0.366 -0.00806 -0.52 -0.5629 -0.9549 2061275 Enamine_001717 Cc1nnc(C)n1/N=C/C(=C/c2ccccc2)/Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O02 compound treatment 0.406 0.0145 0.53 0.395 0.0209 1.35 1.3354 0.917 2061276 Enamine_001718 Fc1ccc(NC(=O)/C=C/c2cccs2)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O03 compound treatment 0.4 0.00853 0.31 0.378 0.00394 0.25 0.4017 0.9947 1390533 Enamine_001719 CC(NC(=O)c1cccc(c1)S(=O)(=O)N(C)C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O04 compound treatment 0.4 0.00853 0.31 0.392 0.0179 1.16 1.0423 0.8669 2061277 Enamine_001720 C/C(=N\O)/CC1(O)C(=O)Nc2ccccc21 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O05 compound treatment 0.401 0.00953 0.35 0.39 0.0159 1.03 0.9768 0.8968 1379227 Enamine_001721 CCOC(=O)C1CCCN(C1)C(=O)c2cc(nc3ccccc23)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O06 compound treatment 0.499 0.108 3.95 0.48 0.106 6.86 7.6397 0.9657 2061278 Enamine_001722 CC(=O)Oc1cccc(/C=C/2\Sc3ccccc3C2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O07 compound treatment 0.387 -0.00447 -0.16 0.384 0.00994 0.64 0.3387 0.5103 1488478 Enamine_001723 CCOC(=O)C1CCN(CC1)C(=O)c2sc3cc(F)ccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O08 compound treatment 0.393 0.00153 0.06 0.388 0.0139 0.9 0.6775 0.7497 1515865 Enamine_001724 Oc1ccc2ccccc2c1CN3CCN(CC3)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O09 compound treatment 0.402 0.0105 0.39 0.384 0.00994 0.64 0.7282 0.9704 1685603 Enamine_001725 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O10 compound treatment 0.399 0.00753 0.28 0.381 0.00694 0.45 0.513 0.9729 1451939 Enamine_001726 COc1ccc(OCC(=O)Nc2cccnc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O11 compound treatment 0.395 0.00353 0.13 0.386 0.0119 0.77 0.6379 0.8144 2061279 Enamine_001727 CN(C)c1ccc(C2C3CC(C=C3)C2(C#N)C(=O)O)c(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O12 compound treatment 0.397 0.00553 0.2 0.383 0.00894 0.58 0.5526 0.9015 1132063 Enamine_001728 COc1ccc(OCC(=O)NC(C)(C)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O13 compound treatment 0.388 -0.00347 -0.13 0.382 0.00794 0.51 0.2731 0.5161 1739555 Enamine_001729 CC(O)c1ccc(N(C)C)c2c(cccc12)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O14 compound treatment 0.399 0.00753 0.28 0.398 0.0239 1.55 1.2909 0.8204 1611066 Enamine_001730 O=C(NCc1cccnc1)c2cc(nc3ccccc23)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O15 compound treatment 0.398 0.00653 0.24 0.39 0.0159 1.03 0.8989 0.8489 1644000 Enamine_001731 CCCn1c(NCc2ccc(C)o2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O16 compound treatment 0.399 0.00753 0.28 0.394 0.0199 1.29 1.1079 0.8396 1232117 Enamine_001732 COc1ccc(OCC(=O)NCc2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O17 compound treatment 0.386 -0.00547 -0.2 0.388 0.0139 0.9 0.4957 0.5365 1678553 Enamine_001733 O=C(NC1CCCCC1)c2cc(nc3ccccc23)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O18 compound treatment 0.399 0.00753 0.28 0.38 0.00594 0.38 0.4672 0.987 2061280 Enamine_001734 COc1ccc(/C=C/C(=O)NCc2nc3ccccc3[nH]2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O19 compound treatment 0.387 -0.00447 -0.16 0.381 0.00694 0.45 0.2014 0.4214 1509710 Enamine_001735 OC(CN1CCOCC1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O20 compound treatment 0.393 0.00153 0.06 0.386 0.0119 0.77 0.586 0.7566 1203056 Enamine_001736 CC(=O)Nc1cccc(Oc2nnc(c3ccccc3)c4ccccc24)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O21 compound treatment 0.395 0.00353 0.13 0.386 0.0119 0.77 0.6379 0.8144 2061281 Enamine_001737 CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O22 compound treatment 0.395 0.00353 0.13 0.38 0.00594 0.38 0.3634 0.8961 1083408 Enamine_001738 FC(F)(F)COC(=O)Nc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O23 mock treatment 0.394 0.00253 0.09 0.382 0.00794 0.51 0.4289 0.8217 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 O24 mock treatment 0.391 -4.69E-4 -0.02 0.364 -0.0101 -0.65 -0.4726 -0.7255 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P01 compound treatment 0.385 -0.00647 -0.24 0.369 -0.00506 -0.33 -0.3996 -0.9875 1149866 Enamine_001739 NC(CO)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P02 compound treatment 0.392 5.31E-4 0.02 0.385 0.0109 0.71 0.5143 0.7263 2061282 Enamine_001740 Fc1ccc(cc1)c2cc(C(=O)NCCCN3CCOCC3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P03 compound treatment 0.393 0.00153 0.06 0.379 0.00494 0.32 0.2657 0.819 2061283 Enamine_001741 FC(F)(F)c1ccc(c(NC(=O)c2ccc(Cl)cc2)c1)n3cncn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P04 compound treatment 0.4 0.00853 0.31 0.388 0.0139 0.9 0.8593 0.9 2061284 Enamine_001742 BrCc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P05 compound treatment 0.406 0.0145 0.53 0.388 0.0139 0.9 1.0151 0.9686 1720832 Enamine_001743 CNc1ccccc1C(C)(C)c2cc(C)[nH]n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P06 compound treatment 0.394 0.00253 0.09 0.384 0.00994 0.64 0.5204 0.801 1671462 Enamine_001744 Fc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P07 compound treatment 0.363 -0.0285 -1.05 0.361 -0.0131 -0.85 -1.3369 -0.9944 1402065 Enamine_001745 CC(C)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P08 compound treatment 0.425 0.0335 1.23 0.415 0.0409 2.65 2.7439 0.9393 1268845 Enamine_001746 CC(C)CCNC(=O)c1cc(nc2ccccc12)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P09 compound treatment 0.325 -0.0665 -2.44 0.318 -0.0561 -3.63 -4.2913 -0.9814 1576121 Enamine_001747 Cc1cc(O)cc(O)c1C(=O)COc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P10 compound treatment 0.412 0.0205 0.75 0.403 0.0289 1.87 1.8572 0.92 2061285 Enamine_001748 COc1ccc(cc1OC)c2nn(cc2C#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P11 compound treatment 0.393 0.00153 0.06 0.383 0.00894 0.58 0.4487 0.7722 2061286 Enamine_001749 CC1=C(C)CC2C(C1)C(=O)N(C2=O)c3ccc(cc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P12 compound treatment 0.368 -0.0235 -0.86 0.363 -0.0111 -0.72 -1.1156 -0.9957 1291202 Enamine_001750 OC(CN1CCOCC1)Cn2c3CCCCc3c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P13 compound treatment 0.394 0.00253 0.09 0.388 0.0139 0.9 0.7035 0.7759 1618695 Enamine_001751 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P14 compound treatment 0.388 -0.00347 -0.13 0.377 0.00294 0.19 0.0443 0.1938 1543696 Enamine_001752 COc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P15 compound treatment 0.392 5.31E-4 0.02 0.386 0.0119 0.77 0.56 0.7247 2061287 Enamine_001753 CCc1nc(C)c(c2ccccc2)c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P16 compound treatment 0.394 0.00253 0.09 0.379 0.00494 0.32 0.2917 0.8765 1219599 Enamine_001754 Clc1ccc(cc1)C(=O)Nc2ccn(CCC#N)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P17 compound treatment 0.448 0.0565 2.08 0.432 0.0579 3.75 4.119 0.9611 2061288 Enamine_001755 FC(F)(F)c1ccc(nc1)C(C#N)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P18 compound treatment 0.387 -0.00447 -0.16 0.383 0.00894 0.58 0.2929 0.4872 1465446 Enamine_001756 CCOc1cc(C)c2c(=O)c(c(C)oc2c1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P19 compound treatment 0.401 0.00953 0.35 0.395 0.0209 1.35 1.2056 0.8615 2061289 Enamine_001757 OC1(CSC(=N1)Cc2ccccc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P20 compound treatment 0.393 0.00153 0.06 0.384 0.00994 0.64 0.4945 0.766 1154765 Enamine_001758 CN(C1CCN(C)CC1)C(=O)c2sc3cc(F)ccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P21 compound treatment 0.396 0.00453 0.17 0.391 0.0169 1.1 0.8927 0.8052 2061290 Enamine_001759 FC(F)(F)c1ccc2nnnn2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P22 compound treatment 0.391 -4.69E-4 -0.02 0.387 0.0129 0.84 0.5798 0.6924 1245297 Enamine_001760 CC1Cc2ccccc2N1C(=O)COC(=O)COc3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P23 mock treatment 0.39 -0.00147 -0.05 0.387 0.0129 0.84 0.5539 0.6602 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1398 P24 mock treatment 0.381 -0.0105 -0.38 0.369 -0.00506 -0.33 -0.5035 -0.9968 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A01 compound treatment 0.385 -0.0121 -0.45 0.393 -0.00153 -0.1 -0.3849 -0.8438 1547865 Enamine_001761 CCNC(=O)c1cc(ccc1C)S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A02 compound treatment 0.389 -0.00812 -0.3 0.396 0.00147 0.1 -0.1438 -0.4591 1706894 Enamine_001762 Clc1ccccc1SCC(=O)Nc2cccc(C#N)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A03 compound treatment 0.395 -0.00212 -0.08 0.391 -0.00353 -0.23 -0.2168 -0.8977 1414740 Enamine_001763 COc1ccc(cc1NC(=O)COC(=O)C2CCC2)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A04 compound treatment 0.396 -0.00112 -0.04 0.399 0.00447 0.29 0.1753 0.6 1271992 Enamine_001764 ON(c1ccccc1)S(=O)(=O)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A05 compound treatment 0.392 -0.00512 -0.19 0.395 4.69E-4 0.03 -0.1116 -0.5856 1646028 Enamine_001765 CN(C(=O)COC(=O)c1ccc(C#N)cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A06 compound treatment 0.395 -0.00212 -0.08 0.401 0.00647 0.42 0.2408 0.5655 2061291 Enamine_001766 COC(=O)/C=C\c1cn(nc1c2ccc(OC)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A07 compound treatment 0.458 0.0609 2.24 0.436 0.0415 2.68 3.4782 0.9959 2061292 Enamine_001767 CCN1C(=O)/C(=C\c2ccc(NC(=O)c3ccccc3Br)cc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A08 compound treatment 0.37 -0.0271 -1.0 0.376 -0.0185 -1.2 -1.5523 -0.9957 1149214 Enamine_001768 Cc1c(O)ccc2c(=O)c(coc12)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A09 compound treatment 0.392 -0.00512 -0.19 0.398 0.00347 0.22 0.0256 0.0875 1274183 Enamine_001769 Brc1cc(Br)c2cccnc2c1OCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A10 compound treatment 0.391 -0.00612 -0.22 0.4 0.00547 0.35 0.0912 0.2175 2061293 Enamine_001770 CCN(CC)C(=O)/C=C/c1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A11 compound treatment 0.391 -0.00612 -0.22 0.397 0.00247 0.16 -0.0461 -0.167 2061294 Enamine_001771 COc1cccc2cccc(/C=N/n3cnnc3)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A12 compound treatment 0.434 0.0369 1.35 0.409 0.0145 0.94 1.6196 0.9838 2061295 Enamine_001772 CC(C)(C)c1c[n+](c2SCCn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A13 compound treatment 0.401 0.00388 0.14 0.387 -0.00753 -0.49 -0.244 -0.4806 1508588 Enamine_001773 CN(c1ccccc1)S(=O)(=O)c2cccc(c2)C(=O)N3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A14 compound treatment 0.394 -0.00312 -0.11 0.397 0.00247 0.16 0.0318 0.1618 2061296 Enamine_001774 Brc1ccc(/C=C/C(=O)NC2=NCCS2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A15 compound treatment 0.393 -0.00412 -0.15 0.393 -0.00153 -0.1 -0.1772 -0.9788 1226481 Enamine_001775 CN(C1CCS(=O)(=O)C1)C(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A16 compound treatment 0.399 0.00188 0.07 0.403 0.00847 0.55 0.4362 0.7897 1692823 Enamine_001776 CCN1CCN(CC1)C(=O)c2cc(Cl)nnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A17 compound treatment 0.403 0.00588 0.22 0.403 0.00847 0.55 0.5401 0.917 2061297 Enamine_001777 OC(=O)c1cccc(COc2ccc(Cl)cc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A18 compound treatment 0.399 0.00188 0.07 0.395 4.69E-4 0.03 0.0701 0.9322 2061298 Enamine_001778 Cn1c(nc2ccccc12)/C(=C\3/CCCCCN3)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A19 compound treatment 0.399 0.00188 0.07 0.393 -0.00153 -0.1 -0.0214 -0.1772 1160947 Enamine_001779 CC(C)c1cccc(C)c1NC(=O)COC(=O)Cc2ccsc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A20 compound treatment 0.4 0.00288 0.11 0.394 -5.31E-4 -0.03 0.0503 0.4534 2061299 Enamine_001780 O=C(Oc1ccccc1)c2cn(nc2c3cccnc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A21 compound treatment 0.391 -0.00612 -0.22 0.395 4.69E-4 0.03 -0.1376 -0.6063 1398783 Enamine_001781 COc1ccc(CN(C)CCc2ccc(OC)c(OC)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A22 compound treatment 0.399 0.00188 0.07 0.4 0.00547 0.35 0.2989 0.8291 2061300 Enamine_001782 Fc1ccc(Nc2nc3ccccc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A23 mock treatment 0.392 -0.00512 -0.19 0.391 -0.00353 -0.23 -0.2947 -0.9954 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 A24 mock treatment 0.391 -0.00612 -0.22 0.386 -0.00853 -0.55 -0.5494 -0.9216 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B01 compound treatment 0.405 0.00788 0.29 0.403 0.00847 0.55 0.592 0.9554 1526785 Enamine_001783 Nc1cccc(c1)n2nncc2c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B02 compound treatment 0.403 0.00588 0.22 0.404 0.00947 0.61 0.5858 0.9018 1517494 Enamine_001784 CC(C)c1ccc(NC(=O)CSc2nccn2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B03 compound treatment 0.441 0.0439 1.61 0.436 0.0415 2.68 3.0368 0.9702 1543406 Enamine_001785 COc1cc2ccccc2cc1C(=O)OCC(=O)Nc3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B04 compound treatment 0.415 0.0179 0.66 0.408 0.0135 0.87 1.0805 0.9902 2061301 Enamine_001786 Cc1ccc(NC(=O)CCCN2C(=O)S/C(=C/c3ccccc3)/C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B05 compound treatment 0.417 0.0199 0.73 0.414 0.0195 1.26 1.4069 0.9663 1639645 Enamine_001787 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B06 compound treatment 0.404 0.00688 0.25 0.404 0.00947 0.61 0.6118 0.9232 1344125 Enamine_001788 Clc1ccc(CC(=O)OCC(=O)NCC2CCCO2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B07 compound treatment 0.409 0.0119 0.44 0.404 0.00947 0.61 0.7416 0.9861 1442932 Enamine_001789 CC1CC1C(=O)OCC(=O)Nc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B08 compound treatment 0.468 0.0709 2.6 0.462 0.0675 4.37 4.9276 0.9694 2061302 Enamine_001790 Brc1ccc(SCC(=O)c2cc3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B09 compound treatment 0.432 0.0349 1.28 0.441 0.0465 3.01 3.0319 0.9276 2061303 Enamine_001791 FC(F)(F)Oc1ccc(cc1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B10 compound treatment 0.405 0.00788 0.29 0.406 0.0115 0.74 0.7293 0.9156 1134862 Enamine_001792 Cn1ccnc1SCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B11 compound treatment 0.459 0.0619 2.27 0.456 0.0615 3.98 4.4194 0.9647 1163307 Enamine_001793 Cc1ccccc1NC(=O)COC(=O)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B12 compound treatment 0.415 0.0179 0.66 0.417 0.0225 1.45 1.4923 0.9354 1647674 Enamine_001794 Cc1nn(c(N)c1C2(O)C(=O)Nc3ccccc32)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B13 compound treatment 0.419 0.0219 0.8 0.414 0.0195 1.26 1.4589 0.9764 1411629 Enamine_001795 O=C(COC(=O)CSc1ccc2ccccc2c1)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B14 compound treatment 0.411 0.0139 0.51 0.409 0.0145 0.94 1.0223 0.9591 1549033 Enamine_001796 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B15 compound treatment 0.431 0.0339 1.24 0.439 0.0445 2.88 2.9144 0.9296 1155092 Enamine_001797 CCOc1ccc(cc1)C(=O)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B16 compound treatment 0.409 0.0119 0.44 0.407 0.0125 0.81 0.8789 0.9583 2061304 Enamine_001798 NC(=O)/C=C/1\NC(=O)CS1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B17 compound treatment 0.449 0.0519 1.9 0.45 0.0555 3.59 3.8852 0.9561 2061305 Enamine_001799 NC(=O)c1ccccc1NC(=O)CSc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B18 compound treatment 0.406 0.00888 0.33 0.4 0.00547 0.35 0.4807 0.9992 1679088 Enamine_001800 Clc1ccc(cc1)C(=O)CN2C(=O)c3ccccc3S2(=O)=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B19 compound treatment 0.405 0.00788 0.29 0.407 0.0125 0.81 0.775 0.9042 1529944 Enamine_001801 COc1cc2ccccc2cc1C(=O)OCC(=O)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B20 compound treatment 0.491 0.0939 3.45 0.465 0.0705 4.56 5.6621 0.9905 2061306 Enamine_001802 Nc1cc(ccc1n2cnc3ccccc23)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B21 compound treatment 0.405 0.00788 0.29 0.405 0.0105 0.68 0.6835 0.9279 1190664 Enamine_001803 CN(C1CCN(C)CC1)C(=O)c2cc(nc3ccccc23)c4ccccc4Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B22 compound treatment 0.4 0.00288 0.11 0.398 0.00347 0.22 0.2334 0.9408 1700705 Enamine_001804 CCc1ccc(OCC(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B23 mock treatment 0.406 0.00888 0.33 0.397 0.00247 0.16 0.3434 0.9462 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 B24 mock treatment 0.4 0.00288 0.11 0.396 0.00147 0.1 0.1419 0.9986 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C01 compound treatment 0.38 -0.0171 -0.63 0.38 -0.0145 -0.94 -1.1096 -0.9809 2061307 Enamine_001805 CCOc1ccc2nc(sc2c1)n3c(C)ccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C02 compound treatment 0.386 -0.0111 -0.41 0.376 -0.0185 -1.2 -1.1368 -0.8974 1301599 Enamine_001806 COc1ccc(CCNC(=O)CSc2ccccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C03 compound treatment 0.381 -0.0161 -0.59 0.38 -0.0145 -0.94 -1.0836 -0.9751 2061308 Enamine_001807 CN(C)c1ccc(cc1)C(=O)Nc2cc(ccc2n3cncn3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C04 compound treatment 0.4 0.00288 0.11 0.393 -0.00153 -0.1 0.0046 0.0317 2061309 Enamine_001808 Cc1ccc(cc1)S(=O)(=O)N(O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C05 compound treatment 0.368 -0.0291 -1.07 0.36 -0.0345 -2.23 -2.3364 -0.9431 1464576 Enamine_001809 CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C06 compound treatment 0.39 -0.00712 -0.26 0.389 -0.00553 -0.36 -0.4381 -0.9881 2061310 Enamine_001810 Cc1ccccc1Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C07 compound treatment 0.384 -0.0131 -0.48 0.386 -0.00853 -0.55 -0.7312 -0.9977 1360786 Enamine_001811 CC1C=C(C)CC2C1C(=O)N(C2=O)c3ccc(cc3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C08 compound treatment 0.43 0.0329 1.21 0.42 0.0255 1.65 2.019 0.9883 1422070 Enamine_001812 Cn1c(nc2ccccc12)C(C#N)c3ncc(Cl)cc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C09 compound treatment 0.388 -0.00912 -0.34 0.381 -0.0135 -0.88 -0.8561 -0.9131 1195260 Enamine_001813 CCC(=O)c1nc2ccccc2c(=O)n1c3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C10 compound treatment 0.387 -0.0101 -0.37 0.387 -0.00753 -0.49 -0.6075 -0.9911 2061311 Enamine_001814 CC(C)OC(=O)/C=C/c1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C11 compound treatment 0.409 0.0119 0.44 0.409 0.0145 0.94 0.9704 0.9395 1204390 Enamine_001815 O=C(CSCc1ccco1)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C12 compound treatment 0.413 0.0159 0.58 0.41 0.0155 1.0 1.12 0.9669 1558117 Enamine_001816 CC(=O)Nc1ccc(NCC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C13 compound treatment 0.384 -0.0131 -0.48 0.385 -0.00953 -0.62 -0.7769 -0.9926 2061312 Enamine_001817 CC1Cc2ccccc2N1C(=O)CSc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C14 compound treatment 0.412 0.0149 0.55 0.409 0.0145 0.94 1.0483 0.9671 1027917 Enamine_001818 CC(C)Nc1ccc(Nc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C15 compound treatment 0.393 -0.00412 -0.15 0.402 0.00747 0.48 0.2346 0.4633 1639685 Enamine_001819 CCc1ccc(OCc2ccc(cc2)C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C16 compound treatment 0.391 -0.00612 -0.22 0.389 -0.00553 -0.36 -0.4121 -0.9749 2061313 Enamine_001820 O/C(=C(/C#N)\c1ccccn1)/CCl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C17 compound treatment 0.395 -0.00212 -0.08 0.394 -5.31E-4 -0.03 -0.0795 -0.9322 1236116 Enamine_001821 Clc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)OCC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C18 compound treatment 0.39 -0.00712 -0.26 0.389 -0.00553 -0.36 -0.4381 -0.9881 2061314 Enamine_001822 N#C/C(=C/1\CCCN1)/c2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C19 compound treatment 0.379 -0.0181 -0.67 0.385 -0.00953 -0.62 -0.9068 -0.9993 1615255 Enamine_001823 CC1CC(C)CN(C1)C(=O)c2ccccc2NS(=O)(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C20 compound treatment 0.369 -0.0281 -1.03 0.372 -0.0225 -1.46 -1.7613 -0.9857 2061315 Enamine_001824 Cc1ccc(cc1)c2nn(cc2CSC(=N)N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C21 compound treatment 0.385 -0.0121 -0.45 0.38 -0.0145 -0.94 -0.9798 -0.9417 2061316 Enamine_001825 O=C(CSc1ccccc1)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C22 compound treatment 0.382 -0.0151 -0.56 0.382 -0.0125 -0.81 -0.9661 -0.983 1148310 Enamine_001826 OC(=O)c1cc2CCCCc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C23 mock treatment 0.379 -0.0181 -0.67 0.374 -0.0205 -1.33 -1.4101 -0.9489 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 C24 mock treatment 0.381 -0.0161 -0.59 0.383 -0.0115 -0.75 -0.9464 -0.9934 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D01 compound treatment 0.409 0.0119 0.44 0.406 0.0115 0.74 0.8331 0.9679 2061317 Enamine_001827 Nc1cccc(c1)c2nn(cc2CCC(=O)O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D02 compound treatment 0.398 8.75E-4 0.03 0.398 0.00347 0.22 0.1814 0.8002 2061318 Enamine_001828 Cc1cc(C)nc(SC(C(=O)c2ccccc2)c3ccccc3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D03 compound treatment 0.403 0.00588 0.22 0.404 0.00947 0.61 0.5858 0.9018 1275192 Enamine_001829 O=C(COC(=O)Cc1ccsc1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D04 compound treatment 0.397 -1.25E-4 0.0 0.406 0.0115 0.74 0.5215 0.7027 1643307 Enamine_001830 Cc1c(Cl)cccc1NC(=O)CSc2nccn2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D05 compound treatment 0.396 -0.00112 -0.04 0.401 0.00647 0.42 0.2668 0.6342 1491238 Enamine_001831 O=C(COC(=O)c1cccs1)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D06 compound treatment 0.433 0.0359 1.32 0.435 0.0405 2.62 2.7833 0.9495 1692272 Enamine_001832 CSc1ccccc1NC(=O)COC(=O)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D07 compound treatment 0.406 0.00888 0.33 0.401 0.00647 0.42 0.5264 0.9923 1466167 Enamine_001833 O=C(COC(=O)Cc1ccsc1)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D08 compound treatment 0.462 0.0649 2.38 0.453 0.0585 3.78 4.36 0.9751 2061319 Enamine_001834 CC(=C1C(=O)c2ccccc2C1=O)Nc3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D09 compound treatment 0.4 0.00288 0.11 0.395 4.69E-4 0.03 0.0961 0.8749 1287866 Enamine_001835 Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D10 compound treatment 0.387 -0.0101 -0.37 0.39 -0.00453 -0.29 -0.4703 -0.9931 1156190 Enamine_001836 Cn1ccnc1SCC(=O)Nc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D11 compound treatment 0.459 0.0619 2.27 0.447 0.0525 3.4 4.0075 0.9809 1528140 Enamine_001837 Clc1c(sc2ccccc12)C(=O)OCC(=O)NC3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D12 compound treatment 0.394 -0.00312 -0.11 0.402 0.00747 0.48 0.2606 0.5246 1583236 Enamine_001838 CC(NC(=O)CC#N)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D13 compound treatment 0.437 0.0399 1.46 0.418 0.0235 1.52 2.1093 0.9998 1161177 Enamine_001839 Cc1ccccc1NC(=O)COC(=O)c2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D14 compound treatment 0.391 -0.00612 -0.22 0.406 0.0115 0.74 0.3657 0.4716 1439733 Enamine_001840 Cc1nc2ccccc2n1CC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D15 compound treatment 0.395 -0.00212 -0.08 0.402 0.00747 0.48 0.2866 0.5854 2061320 Enamine_001841 FC(F)(F)c1cc(Cl)ccc1NC(=O)CSC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D16 compound treatment 0.414 0.0169 0.62 0.425 0.0305 1.97 1.8324 0.8866 1116866 Enamine_001842 OC(=O)CCN1c2ccccc2Sc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D17 compound treatment 0.403 0.00588 0.22 0.411 0.0165 1.07 0.9061 0.8333 1382556 Enamine_001843 CC(=O)N1CCN(CC1)C(=O)c2cc(nc3ccccc23)c4ccc(C)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D18 compound treatment 0.402 0.00488 0.18 0.407 0.0125 0.81 0.6971 0.8435 1033490 Enamine_001844 OC(=O)c1ccccc1c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D19 compound treatment 0.429 0.0319 1.17 0.425 0.0305 1.97 2.2219 0.969 2061321 Enamine_001845 FC(F)(F)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D20 compound treatment 0.396 -0.00112 -0.04 0.385 -0.00953 -0.62 -0.4653 -0.7528 1011426 Enamine_001846 CCOC(=O)c1cnn(c1O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D21 compound treatment 0.422 0.0249 0.91 0.421 0.0265 1.71 1.8571 0.9567 1119301 Enamine_001847 CN(C)c1cccc(c1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D22 compound treatment 0.407 0.00987 0.36 0.401 0.00647 0.42 0.5524 0.9974 2061322 Enamine_001848 CCOC(=O)Nc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D23 mock treatment 0.394 -0.00312 -0.11 0.398 0.00347 0.22 0.0776 0.3077 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 D24 mock treatment 0.395 -0.00212 -0.08 0.395 4.69E-4 0.03 -0.0337 -0.4029 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E01 compound treatment 0.403 0.00588 0.22 0.395 4.69E-4 0.03 0.174 0.7987 1040137 Enamine_001849 NC(=O)c1ccccc1OCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E02 compound treatment 0.41 0.0129 0.47 0.41 0.0155 1.0 1.0421 0.9414 1585142 Enamine_001850 NC(=O)COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E03 compound treatment 0.407 0.00987 0.36 0.403 0.00847 0.55 0.6439 0.9799 1715065 Enamine_001851 CC1CCCN(C1)C(=O)c2cc(nc3ccccc23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E04 compound treatment 0.401 0.00388 0.14 0.399 0.00447 0.29 0.3051 0.9467 1592935 Enamine_001852 CC(=O)Oc1ccc(Nc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E05 compound treatment 0.408 0.0109 0.4 0.406 0.0115 0.74 0.8072 0.9577 2061323 Enamine_001853 CC(C)CCNC(=O)c1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E06 compound treatment 0.404 0.00688 0.25 0.4 0.00547 0.35 0.4288 0.9863 1620722 Enamine_001854 O=C(CC#N)Nc1ccccc1Oc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E07 compound treatment 0.407 0.00987 0.36 0.4 0.00547 0.35 0.5067 0.9999 1416372 Enamine_001855 Clc1cc(Cl)c(cc1C(=O)N2CCCC2)S(=O)(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E08 compound treatment 0.341 -0.0561 -2.06 0.328 -0.0665 -4.31 -4.5017 -0.9431 1367999 Enamine_001856 OC(Cn1c(=N)sc2ccccc12)c3ccc(Cl)c(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E09 compound treatment 0.405 0.00788 0.29 0.399 0.00447 0.29 0.409 1.0 1416870 Enamine_001857 CCOC(=O)c1nc2ccccc2c(=O)n1c3ccc(C)cc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E10 compound treatment 0.406 0.00888 0.33 0.401 0.00647 0.42 0.5264 0.9923 1694997 Enamine_001858 NC(=O)CCc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E11 compound treatment 0.485 0.0879 3.23 0.483 0.0885 5.72 6.33 0.9632 1338608 Enamine_001859 Clc1ccc(CSCC(=O)c2cc3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E12 compound treatment 0.423 0.0259 0.95 0.426 0.0315 2.04 2.1118 0.9398 2061324 Enamine_001860 CCN(CC)C(=O)/C=C\c1cn(nc1c2ccc(OC)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E13 compound treatment 0.408 0.0109 0.4 0.399 0.00447 0.29 0.4869 0.9874 1429217 Enamine_001861 O=C(CSc1ccccc1)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E14 compound treatment 0.43 0.0329 1.21 0.432 0.0375 2.42 2.5681 0.9481 1430483 Enamine_001862 COc1ccccc1Nc2ccc(N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E15 compound treatment 0.404 0.00688 0.25 0.403 0.00847 0.55 0.566 0.9381 2061325 Enamine_001863 Cc1ccc(CCCOC(=O)CN2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E16 compound treatment 0.403 0.00588 0.22 0.407 0.0125 0.81 0.7231 0.8658 2061326 Enamine_001864 O/C(=C(/C#N)\c1ccccn1)/CCCl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E17 compound treatment 0.412 0.0149 0.55 0.424 0.0295 1.91 1.7347 0.8745 2061327 Enamine_001865 CC1CCC2C(C1)N(C(=O)C)c3ccccc3C2(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E18 compound treatment 0.411 0.0139 0.51 0.416 0.0215 1.39 1.3427 0.9073 1494604 Enamine_001866 NC1=C(C(=O)CS1)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E19 compound treatment 0.402 0.00488 0.18 0.409 0.0145 0.94 0.7886 0.8273 1146072 Enamine_001867 CNc1nc(c(C)s1)c2ccc(OC)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E20 compound treatment 0.404 0.00688 0.25 0.407 0.0125 0.81 0.7491 0.886 1142428 Enamine_001868 Nc1ccc(cc1)n2nncc2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E21 compound treatment 0.432 0.0349 1.28 0.426 0.0315 2.04 2.3455 0.975 1327537 Enamine_001869 CC(C)(C)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E22 compound treatment 0.401 0.00388 0.14 0.397 0.00247 0.16 0.2136 0.9983 2061328 Enamine_001870 OC(=O)c1cc2CCCc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E23 mock treatment 0.394 -0.00312 -0.11 0.394 -5.31E-4 -0.03 -0.1055 -0.8803 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 E24 mock treatment 0.401 0.00388 0.14 0.395 4.69E-4 0.03 0.1221 0.839 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F01 compound treatment 0.404 0.00688 0.25 0.405 0.0105 0.68 0.6575 0.9095 1200697 Enamine_001871 OC(=O)C(Cc1ccccc1)NC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F02 compound treatment 0.408 0.0109 0.4 0.405 0.0105 0.68 0.7614 0.9682 1533453 Enamine_001872 CC1CCCC(C)N1C(=O)c2cc(ccc2C)S(=O)(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F03 compound treatment 0.409 0.0119 0.44 0.409 0.0145 0.94 0.9704 0.9395 2061329 Enamine_001873 COc1ccccc1NC(=O)c2cc(Cl)nnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F04 compound treatment 0.405 0.00788 0.29 0.41 0.0155 1.0 0.9123 0.8756 1398942 Enamine_001874 Cn1ccnc1SCC(=O)Nc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F05 compound treatment 0.416 0.0189 0.69 0.406 0.0115 0.74 1.0149 0.9994 1572816 Enamine_001875 CCOc1ccccc1NC(=O)CSc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F06 compound treatment 0.435 0.0379 1.39 0.418 0.0235 1.52 2.0574 0.999 1463806 Enamine_001876 Cc1cc(C)c(NC(=O)COC(=O)c2ccco2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F07 compound treatment 0.415 0.0179 0.66 0.409 0.0145 0.94 1.1262 0.9849 1685726 Enamine_001877 O=C(COC(=O)Cc1ccsc1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F08 compound treatment 0.416 0.0189 0.69 0.412 0.0175 1.13 1.2895 0.9724 1214414 Enamine_001878 CCOc1ccc2c(c1)C(=CC(C)(C)[N+]2(C)C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F09 compound treatment 0.393 -0.00412 -0.15 0.4 0.00547 0.35 0.1431 0.3718 1435379 Enamine_001879 Cc1cc(NC(=O)COC(=O)Cc2ccsc2)ccc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F10 compound treatment 0.414 0.0169 0.62 0.405 0.0105 0.68 0.9172 0.999 1229960 Enamine_001880 CCC(C)c1ccccc1NC(=O)COC(=O)Cc2ccsc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F11 compound treatment 0.411 0.0139 0.51 0.413 0.0185 1.2 1.2054 0.9278 1681022 Enamine_001881 NC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F12 compound treatment 0.409 0.0119 0.44 0.411 0.0165 1.07 1.0619 0.9222 1207851 Enamine_001882 O=C(CC#N)Nc1ccco1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F13 compound treatment 0.449 0.0519 1.9 0.442 0.0475 3.07 3.5191 0.9736 1358089 Enamine_001883 Fc1ccccc1CC(=O)OCC(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F14 compound treatment 0.408 0.0109 0.4 0.411 0.0165 1.07 1.036 0.9103 1028241 Enamine_001884 OC(=O)CCSc1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F15 compound treatment 0.411 0.0139 0.51 0.413 0.0185 1.2 1.2054 0.9278 1560501 Enamine_001885 Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F16 compound treatment 0.421 0.0239 0.88 0.429 0.0345 2.23 2.1972 0.9168 2061330 Enamine_001886 ClCCN1C(SCC1=O)c2cn(nc2c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F17 compound treatment 0.466 0.0689 2.53 0.507 0.112 7.28 6.9348 0.9 2061331 Enamine_001887 O=C(On1c(cc2ccccc12)c3ccccc3)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F18 compound treatment 0.406 0.00888 0.33 0.417 0.0225 1.45 1.2586 0.8446 1920461 Enamine_001888 Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F19 compound treatment 0.418 0.0209 0.77 0.417 0.0225 1.45 1.5702 0.9553 2061332 Enamine_001889 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F20 compound treatment 0.405 0.00788 0.29 0.405 0.0105 0.68 0.6835 0.9279 1002448 Enamine_001890 Nc1c(C#N)cnn1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F21 compound treatment 0.371 -0.0261 -0.96 0.375 -0.0195 -1.26 -1.5721 -0.9907 2061333 Enamine_001891 FC(F)(F)c1cc(NC(=O)COC(=O)Cc2ccsc2)ccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F22 compound treatment 0.403 0.00588 0.22 0.403 0.00847 0.55 0.5401 0.917 1191798 Enamine_001892 COc1ccccc1NCCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F23 mock treatment 0.408 0.0109 0.4 0.399 0.00447 0.29 0.4869 0.9874 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 F24 mock treatment 0.404 0.00688 0.25 0.408 0.0135 0.87 0.7948 0.8759 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G01 compound treatment 0.401 0.00388 0.14 0.395 4.69E-4 0.03 0.1221 0.839 1629700 Enamine_001893 CC(C)c1cc(Cl)c(C)cc1OCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G02 compound treatment 0.398 8.75E-4 0.03 0.403 0.00847 0.55 0.4102 0.7473 1681733 Enamine_001894 Clc1ccc(cc1)S(=O)(=O)N2CCCC3CCCCC32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G03 compound treatment 0.396 -0.00112 -0.04 0.395 4.69E-4 0.03 -0.0078 -0.1515 1266154 Enamine_001895 Cc1ccc(Cl)cc1NC(=O)COC(=O)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G04 compound treatment 0.402 0.00488 0.18 0.404 0.00947 0.61 0.5599 0.877 2061334 Enamine_001896 O=C(CC#N)NCc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G05 compound treatment 0.404 0.00688 0.25 0.406 0.0115 0.74 0.7033 0.8972 2061335 Enamine_001897 O=C(NCc1ccncc1)c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G06 compound treatment 0.403 0.00588 0.22 0.401 0.00647 0.42 0.4486 0.9525 1052010 Enamine_001898 O=C(CC#N)NCCc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G07 compound treatment 0.397 -1.25E-4 0.0 0.397 0.00247 0.16 0.1097 0.6865 2061336 Enamine_001899 CCC(=O)c1ccccc1OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G08 compound treatment 0.409 0.0119 0.44 0.398 0.00347 0.22 0.4671 0.9523 1739957 Enamine_001900 Cc1ccc(NCC(O)c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G09 compound treatment 0.406 0.00888 0.33 0.407 0.0125 0.81 0.801 0.9205 1192363 Enamine_001901 CCOC(=O)c1nc2ccccc2c(=O)n1c3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G10 compound treatment 0.462 0.0649 2.38 0.462 0.0675 4.37 4.7718 0.9594 1651681 Enamine_001902 CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G11 compound treatment 0.463 0.0659 2.42 0.464 0.0695 4.5 4.8893 0.9577 1544365 Enamine_001903 Clc1cccc(Cl)c1CC(=O)OCC(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G12 compound treatment 0.417 0.0199 0.73 0.418 0.0235 1.52 1.59 0.9436 2061337 Enamine_001904 COc1ccc(cc1)c2nn(cc2/C=N\c3ccc(O)cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G13 compound treatment 0.452 0.0549 2.02 0.444 0.0495 3.2 3.6885 0.9751 1209152 Enamine_001905 Clc1ccc(SCC(=O)c2cc3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G14 compound treatment 0.436 0.0389 1.43 0.432 0.0375 2.42 2.7239 0.9681 1567064 Enamine_001906 COC(=O)c1ccc(cc1N)C(=O)Nc2cc(Cl)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G15 compound treatment 0.401 0.00388 0.14 0.405 0.0105 0.68 0.5796 0.8374 1660657 Enamine_001907 Brc1ccc(cc1)C(C#N)N2CCN(CC2)C(C#N)c3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G16 compound treatment 0.478 0.0809 2.97 0.495 0.1 6.5 6.6973 0.937 1481347 Enamine_001908 O=C(COc1ccccc1)C(C#N)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G17 compound treatment 0.405 0.00788 0.29 0.407 0.0125 0.81 0.775 0.9042 1330472 Enamine_001909 CCC1C(NC(C(CC)C1=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G18 compound treatment 0.406 0.00888 0.33 0.407 0.0125 0.81 0.801 0.9205 1585471 Enamine_001910 Cc1c(Cl)cccc1N2CC(CC2=O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G19 compound treatment 0.473 0.0759 2.79 0.536 0.141 9.15 8.4435 0.8824 2061338 Enamine_001911 Cc1ccc(cc1)c2csc(Nc3ccccn3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G20 compound treatment 0.394 -0.00312 -0.11 0.403 0.00847 0.55 0.3064 0.5472 1256839 Enamine_001912 Cc1nn(CCC#N)c(C)c1Oc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G21 compound treatment 0.398 8.75E-4 0.03 0.403 0.00847 0.55 0.4102 0.7473 2061339 Enamine_001913 FC(F)(F)c1cccc(CC(=O)OCC(=O)NCc2ccco2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G22 compound treatment 0.395 -0.00212 -0.08 0.396 0.00147 0.1 0.012 0.0978 2061340 Enamine_001914 Clc1ccc(OCC(=O)OCc2ccc(Br)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G23 mock treatment 0.391 -0.00612 -0.22 0.393 -0.00153 -0.1 -0.2291 -0.9322 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 G24 mock treatment 0.399 0.00188 0.07 0.396 0.00147 0.1 0.1159 0.9875 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H01 compound treatment 0.401 0.00388 0.14 0.411 0.0165 1.07 0.8542 0.7945 1541807 Enamine_001915 OC(=O)c1ccc(Cl)c(NC(=O)c2ccco2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H02 compound treatment 0.397 -1.25E-4 0.0 0.401 0.00647 0.42 0.2928 0.6993 1227722 Enamine_001916 CC1CCCN(C1)C(=O)COc2ccc(cc2)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H03 compound treatment 0.422 0.0249 0.91 0.415 0.0205 1.32 1.5825 0.9835 1164597 Enamine_001917 O=C(COC(=O)c1ccccc1)Nc2ccccc2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H04 compound treatment 0.399 0.00188 0.07 0.399 0.00447 0.29 0.2532 0.8517 1396681 Enamine_001918 Fc1ccccc1C2(CCCC2)C(=O)OCC(=O)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H05 compound treatment 0.399 0.00188 0.07 0.399 0.00447 0.29 0.2532 0.8517 1155359 Enamine_001919 CC1CC1C(=O)OCC(=O)Nc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H06 compound treatment 0.394 -0.00312 -0.11 0.397 0.00247 0.16 0.0318 0.1618 1496064 Enamine_001920 NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H07 compound treatment 0.402 0.00488 0.18 0.404 0.00947 0.61 0.5599 0.877 1218358 Enamine_001921 O=C(COC(=O)c1cccs1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H08 compound treatment 0.399 0.00188 0.07 0.396 0.00147 0.1 0.1159 0.9875 1309189 Enamine_001922 C(c1cccs1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H09 compound treatment 0.399 0.00188 0.07 0.396 0.00147 0.1 0.1159 0.9875 1723997 Enamine_001923 CCOc1ccccc1NC(=O)COC(=O)C2CC2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H10 compound treatment 0.4 0.00288 0.11 0.405 0.0105 0.68 0.5537 0.8076 2061341 Enamine_001924 CCc1cccc(CC)c1NC(=O)CSc2nnc[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H11 compound treatment 0.392 -0.00512 -0.19 0.395 4.69E-4 0.03 -0.1116 -0.5856 1196065 Enamine_001925 Fc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H12 compound treatment 0.369 -0.0281 -1.03 0.378 -0.0165 -1.07 -1.4867 -0.9998 1006151 Enamine_001926 Oc1ccc(C(=O)c2ccccc2)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H13 compound treatment 0.48 0.0829 3.04 0.467 0.0725 4.69 5.468 0.9781 1220428 Enamine_001927 NC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(cc2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H14 compound treatment 0.399 0.00188 0.07 0.399 0.00447 0.29 0.2532 0.8517 2061342 Enamine_001928 Clc1ccccc1COC(=S)NC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H15 compound treatment 0.402 0.00488 0.18 0.4 0.00547 0.35 0.3768 0.9502 2061343 Enamine_001929 FC(F)(F)c1cccc(CC(=O)OCC(=O)NC2CC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H16 compound treatment 0.398 8.75E-4 0.03 0.402 0.00747 0.48 0.3645 0.7525 2061344 Enamine_001930 C(c1ccccc1)n2nnnc2c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H17 compound treatment 0.414 0.0169 0.62 0.405 0.0105 0.68 0.9172 0.999 1065581 Enamine_001931 O=C(c1ccccc1)c2nccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H18 compound treatment 0.418 0.0209 0.77 0.442 0.0475 3.07 2.7141 0.8573 2061345 Enamine_001932 Clc1ccc(NC(=O)/C(=C/2\SCC(=O)N2c3ccccc3)/C#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H19 compound treatment 0.405 0.00788 0.29 0.401 0.00647 0.42 0.5005 0.9837 1624263 Enamine_001933 O=C(COC(=O)Cc1cccc2ccccc12)Nc3ccccc3C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H20 compound treatment 0.398 8.75E-4 0.03 0.396 0.00147 0.1 0.0899 0.8963 1039636 Enamine_001934 Cc1ccc(SCCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H21 compound treatment 0.442 0.0449 1.65 0.441 0.0465 3.01 3.2916 0.9599 1446361 Enamine_001935 CC(C)c1ccc(NC(=O)CSC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H22 compound treatment 0.398 8.75E-4 0.03 0.393 -0.00153 -0.1 -0.0473 -0.4545 1474488 Enamine_001936 COC(=O)C1(CC2CC3C1)CC(C2)C3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H23 mock treatment 0.396 -0.00112 -0.04 0.4 0.00547 0.35 0.221 0.6203 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 H24 mock treatment 0.406 0.00888 0.33 0.393 -0.00153 -0.1 0.1604 0.4708 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I01 compound treatment 0.412 0.0149 0.55 0.406 0.0115 0.74 0.911 0.9886 1478632 Enamine_001937 CC(C)c1ccccc1NC(=O)COC(=O)c2ccc(cc2)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I02 compound treatment 0.436 0.0389 1.43 0.435 0.0405 2.62 2.8612 0.9593 1151989 Enamine_001938 COc1ccc(Nc2nc(cs2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I03 compound treatment 0.417 0.0199 0.73 0.43 0.0355 2.3 2.1391 0.8881 1518734 Enamine_001939 Cc1cccc(C)c1NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I04 compound treatment 0.455 0.0579 2.13 0.43 0.0355 2.3 3.1258 0.9993 2061346 Enamine_001940 CCCn1c(SCC(=O)c2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I05 compound treatment 0.37 -0.0271 -1.0 0.379 -0.0155 -1.01 -1.415 -1.0 2061347 Enamine_001941 NC(=O)c1ccc(NC(=O)c2cn(nc2c3cccs3)c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I06 compound treatment 0.407 0.00987 0.36 0.41 0.0155 1.0 0.9642 0.9057 1051411 Enamine_001942 OC(=O)c1c2CCCCc2nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I07 compound treatment 0.403 0.00588 0.22 0.41 0.0155 1.0 0.8604 0.8402 2061348 Enamine_001943 O=S(=O)(CCc1ccccc1)/N=C/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I08 compound treatment 0.382 -0.0151 -0.56 0.38 -0.0145 -0.94 -1.0577 -0.9684 1508114 Enamine_001944 CCN(c1ccccc1)S(=O)(=O)c2ccc(O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I09 compound treatment 0.456 0.0589 2.16 0.444 0.0495 3.2 3.7924 0.9817 1271926 Enamine_001945 Cc1nc2n(CC(=O)c3ccccc3)c4ccccc4n2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I10 compound treatment 0.415 0.0179 0.66 0.409 0.0145 0.94 1.1262 0.9849 1385289 Enamine_001946 NC(=O)CSc1nc2ccccc2c(=O)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I11 compound treatment 0.407 0.00987 0.36 0.409 0.0145 0.94 0.9185 0.9148 1143472 Enamine_001947 CN(C(=O)COC(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I12 compound treatment 0.494 0.0969 3.56 0.48 0.0855 5.53 6.4264 0.9772 2061349 Enamine_001948 COc1ccc(cc1)c2nn(cc2/C=C\C(=O)N3CCCCC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I13 compound treatment 0.415 0.0179 0.66 0.418 0.0235 1.52 1.538 0.9296 1246748 Enamine_001949 OC(=O)c1ccc(COc2ccc3CCCc3c2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I14 compound treatment 0.421 0.0239 0.88 0.424 0.0295 1.91 1.9684 0.9378 2061350 Enamine_001950 Fc1ccc(cc1)/C(=C\c2ccc(Cl)cc2)/C(=O)Nc3nnc[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I15 compound treatment 0.401 0.00388 0.14 0.414 0.0195 1.26 0.9915 0.782 2061351 Enamine_001951 Cc1n(c(C)c2c(C)nnc(C)c12)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I16 compound treatment 0.467 0.0699 2.57 0.474 0.0795 5.14 5.4507 0.9484 1534431 Enamine_001952 Cn1c(nc2ccccc12)C(C#N)C(=O)Cc3cccc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I17 compound treatment 0.425 0.0279 1.02 0.478 0.0835 5.4 4.5432 0.8264 1178237 Enamine_001953 CC(C)Oc1cc(C)cc2oc(=O)c3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I18 compound treatment 0.556 0.159 5.83 0.599 0.204 13.23 13.4815 0.9323 2061352 Enamine_001954 COC(=O)/C(=C\1/Nc2ccccc2C=C1)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I19 compound treatment 0.401 0.00388 0.14 0.432 0.0375 2.42 1.8151 0.7473 1414739 Enamine_001955 COc1ccc(cc1)n2c(csc2=NC(=O)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I20 compound treatment 0.404 0.00688 0.25 0.414 0.0195 1.26 1.0694 0.8323 1515531 Enamine_001956 Cc1nn(CCO)c(C)c1Oc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I21 compound treatment 0.412 0.0149 0.55 0.408 0.0135 0.87 1.0026 0.9747 1177622 Enamine_001957 Fc1ccc(CC(=O)OCC(=O)NCc2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I22 compound treatment 0.407 0.00987 0.36 0.418 0.0235 1.52 1.3303 0.852 1413933 Enamine_001958 CCc1ccc(NC(=O)CC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I23 mock treatment 0.404 0.00688 0.25 0.398 0.00347 0.22 0.3372 0.9983 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 I24 mock treatment 0.405 0.00788 0.29 0.398 0.00347 0.22 0.3632 0.9922 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J01 compound treatment 0.396 -0.00112 -0.04 0.398 0.00347 0.22 0.1295 0.5674 1023216 Enamine_001959 OC(=O)COc1ccc(cc1)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J02 compound treatment 0.395 -0.00212 -0.08 0.399 0.00447 0.29 0.1493 0.4985 1452728 Enamine_001960 Clc1ccc(SCC(=O)NCC2CCCO2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J03 compound treatment 0.414 0.0169 0.62 0.398 0.00347 0.22 0.5969 0.9057 1533431 Enamine_001961 Cc1ccc(C)c(c1)C(=O)OCC(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J04 compound treatment 0.398 8.75E-4 0.03 0.395 4.69E-4 0.03 0.0442 0.9996 1546568 Enamine_001962 CC1CC1C(=O)OCC(=O)Nc2ccccc2Oc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J05 compound treatment 0.399 0.00188 0.07 0.397 0.00247 0.16 0.1617 0.9292 1544375 Enamine_001963 CC1CCCC(NC(=O)COC(=O)Cc2ccsc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J06 compound treatment 0.407 0.00987 0.36 0.411 0.0165 1.07 1.01 0.8972 2061353 Enamine_001964 Cc1ccc(NC2=NC(=O)CC(S2)C(=O)Nc3cccc4ccccc34)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J07 compound treatment 0.403 0.00588 0.22 0.395 4.69E-4 0.03 0.174 0.7987 2061354 Enamine_001965 FC(F)(F)c1cccc(CC(=O)OCC(=O)NCc2ccccc2Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J08 compound treatment 0.408 0.0109 0.4 0.402 0.00747 0.48 0.6241 0.9955 2061355 Enamine_001966 CCOC(=O)C(C#N)c1c(F)c(F)c(Br)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J09 compound treatment 0.397 -1.25E-4 0.0 0.4 0.00547 0.35 0.247 0.6979 1596278 Enamine_001967 Clc1ccccc1CNC(=O)CSCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J10 compound treatment 0.421 0.0239 0.88 0.414 0.0195 1.26 1.5108 0.9843 1153526 Enamine_001968 CC1CCCC(NC(=O)CSC(=O)c2ccccc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J11 compound treatment 0.398 8.75E-4 0.03 0.395 4.69E-4 0.03 0.0442 0.9996 1165859 Enamine_001969 CC1CC1C(=O)OCC(=O)Nc2ccc(cc2)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J12 compound treatment 0.456 0.0589 2.16 0.456 0.0615 3.98 4.3415 0.9589 2061356 Enamine_001970 CCOC(=O)/C=C\c1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J13 compound treatment 0.454 0.0569 2.09 0.444 0.0495 3.2 3.7404 0.9786 2061357 Enamine_001971 FC(F)(F)c1ccc(NC(=O)CSC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J14 compound treatment 0.394 -0.00312 -0.11 0.397 0.00247 0.16 0.0318 0.1618 1039963 Enamine_001972 OC(=O)COc1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J15 compound treatment 0.398 8.75E-4 0.03 0.392 -0.00253 -0.16 -0.0931 -0.5578 1478406 Enamine_001973 Cc1ccccc1OCC(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J16 compound treatment 0.395 -0.00212 -0.08 0.401 0.00647 0.42 0.2408 0.5655 1326554 Enamine_001974 O=C(CNC(=O)c1cccs1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J17 compound treatment 1.303 0.906 33.27 1.361 0.966 62.54 67.7461 0.9563 2061358 Enamine_001975 CN1/C(=C/C(=S)C)/Sc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J18 compound treatment 0.397 -1.25E-4 0.0 0.397 0.00247 0.16 0.1097 0.6865 2061359 Enamine_001976 COC(=O)c1ccc(C[n+]2cn(N)cn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J19 compound treatment 0.41 0.0129 0.47 0.463 0.0685 4.43 3.4673 0.7781 1376578 Enamine_001977 CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J20 compound treatment 0.397 -1.25E-4 0.0 0.397 0.00247 0.16 0.1097 0.6865 1404461 Enamine_001978 Cc1cc(NCCO)c2cc(O)ccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J21 compound treatment 0.417 0.0199 0.73 0.425 0.0305 1.97 1.9103 0.9086 2061360 Enamine_001979 Clc1ccc(SCC(=O)c2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J22 compound treatment 0.397 -1.25E-4 0.0 0.397 0.00247 0.16 0.1097 0.6865 2061361 Enamine_001980 COc1cc2c(cc1/N=C/c3cccnc3)oc4ccccc42 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J23 mock treatment 0.392 -0.00512 -0.19 0.393 -0.00153 -0.1 -0.2031 -0.9551 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 J24 mock treatment 0.397 -1.25E-4 0.0 0.394 -5.31E-4 -0.03 -0.0276 -0.7945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K01 compound treatment 0.391 -0.00612 -0.22 0.394 -5.31E-4 -0.03 -0.1834 -0.8058 1428903 Enamine_001981 CCC(C)c1ccc(NC(=O)COC(=O)C2CCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K02 compound treatment 0.409 0.0119 0.44 0.407 0.0125 0.81 0.8789 0.9583 2061362 Enamine_001982 Cc1cnc(NC(=O)CSc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K03 compound treatment 0.4 0.00288 0.11 0.395 4.69E-4 0.03 0.0961 0.8749 1296140 Enamine_001983 CC(C)c1ccccc1NC(=O)COC(=O)COc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K04 compound treatment 0.403 0.00588 0.22 0.412 0.0175 1.13 0.9519 0.8271 1203095 Enamine_001984 CCOC(=O)c1c(NC(=O)c2ccccc2)sc3CCCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K05 compound treatment 0.404 0.00688 0.25 0.404 0.00947 0.61 0.6118 0.9232 1452142 Enamine_001985 NC(=O)C1CCN(CC1)C(=O)c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K06 compound treatment 0.428 0.0309 1.13 0.436 0.0415 2.68 2.6992 0.9266 1034322 Enamine_001986 N(c1nc2ccccc2o1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K07 compound treatment 0.417 0.0199 0.73 0.425 0.0305 1.97 1.9103 0.9086 1409149 Enamine_001987 COc1ccc(cc1)n2c(C)c3c(C)nnc(C)c3c2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K08 compound treatment 0.406 0.00888 0.33 0.411 0.0165 1.07 0.984 0.883 1558233 Enamine_001988 CCOC(=O)c1nc2ccccc2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K09 compound treatment 0.4 0.00288 0.11 0.405 0.0105 0.68 0.5537 0.8076 1423128 Enamine_001989 CCC(=O)c1ccccc1OCC(=O)Nc2c(C)cccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K10 compound treatment 0.418 0.0209 0.77 0.418 0.0235 1.52 1.6159 0.9499 1492571 Enamine_001990 CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K11 compound treatment 0.401 0.00388 0.14 0.402 0.00747 0.48 0.4424 0.878 1298514 Enamine_001991 CN(C(=O)COC(=O)c1cc(C)ccc1C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K12 compound treatment 0.474 0.0769 2.82 0.451 0.0565 3.65 4.5801 0.9919 2061363 Enamine_001992 Clc1ccc(NC(=O)c2cn(nc2c3cccnc3)c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K13 compound treatment 0.387 -0.0101 -0.37 0.403 0.00847 0.55 0.1246 0.1882 1242662 Enamine_001993 CN(C1CCS(=O)(=O)C1)C(=O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K14 compound treatment 0.406 0.00888 0.33 0.407 0.0125 0.81 0.801 0.9205 1316898 Enamine_001994 OC(=O)CCNC(=O)c1ccccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K15 compound treatment 0.401 0.00388 0.14 0.405 0.0105 0.68 0.5796 0.8374 1492948 Enamine_001995 CC1CC(=CC(C)C1C2OCC(CN3CCCCC3)O2)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K16 compound treatment 0.479 0.0819 3.01 0.501 0.106 6.89 6.9978 0.9309 1738486 Enamine_001996 O=C(Cc1cccc2ccccc12)C(C#N)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K17 compound treatment 0.4 0.00288 0.11 0.402 0.00747 0.48 0.4164 0.8417 1308843 Enamine_001997 Fc1ccccc1NS(=O)(=O)c2cccc(c2)C(=O)NC3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K18 compound treatment 0.399 0.00188 0.07 0.399 0.00447 0.29 0.2532 0.8517 2061364 Enamine_001998 Oc1cc([nH]n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K19 compound treatment 0.4 0.00288 0.11 0.397 0.00247 0.16 0.1876 0.9798 1237199 Enamine_001999 O=C(COC(=O)c1ccccc1Cc2ccccc2)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K20 compound treatment 0.397 -1.25E-4 0.0 0.407 0.0125 0.81 0.5673 0.7031 1325769 Enamine_002000 CC(C)(C)c1ccc(cc1)C(=O)NCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K21 compound treatment 0.399 0.00188 0.07 0.394 -5.31E-4 -0.03 0.0244 0.3168 2061365 Enamine_002001 COc1ccc(NC(=O)COC(=O)Cc2cccc(c2)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K22 compound treatment 0.404 0.00688 0.25 0.405 0.0105 0.68 0.6575 0.9095 2061366 Enamine_002002 O=C(CC#N)Nc1cccc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K23 mock treatment 0.396 -0.00112 -0.04 0.392 -0.00253 -0.16 -0.145 -0.8586 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 K24 mock treatment 0.403 0.00588 0.22 0.404 0.00947 0.61 0.5858 0.9018 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L01 compound treatment 0.401 0.00388 0.14 0.412 0.0175 1.13 0.9 0.7899 2061367 Enamine_002003 Cc1nnc(o1)c2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L02 compound treatment 0.408 0.0109 0.4 0.404 0.00947 0.61 0.7157 0.9785 1124491 Enamine_002004 COc1ccc(CCNC(=O)CSc2ccc(C)cc2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L03 compound treatment 0.402 0.00488 0.18 0.407 0.0125 0.81 0.6971 0.8435 2061368 Enamine_002005 FC(F)(F)c1cccc(CC(=O)OCC(=O)Nc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L04 compound treatment 0.404 0.00688 0.25 0.401 0.00647 0.42 0.4745 0.9707 1552407 Enamine_002006 CN(C)c1ccc(cc1)C(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L05 compound treatment 0.41 0.0129 0.47 0.411 0.0165 1.07 1.0879 0.9331 1424432 Enamine_002007 O=C(COC(=O)c1cccs1)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L06 compound treatment 0.408 0.0109 0.4 0.403 0.00847 0.55 0.6699 0.9879 2061369 Enamine_002008 COc1ccc(CC(=O)NC2=NC(=O)C(C)S2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L07 compound treatment 0.44 0.0429 1.57 0.439 0.0445 2.88 3.1481 0.9597 1713346 Enamine_002009 CCc1cccc(CC)c1NC(=O)COC(=O)Cc2ccsc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L08 compound treatment 0.397 -1.25E-4 0.0 0.394 -5.31E-4 -0.03 -0.0276 -0.7945 1320356 Enamine_002010 COc1ccc(CCNC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L09 compound treatment 0.413 0.0159 0.58 0.407 0.0125 0.81 0.9828 0.9873 1161138 Enamine_002011 CC(C)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L10 compound treatment 0.434 0.0369 1.35 0.439 0.0445 2.88 2.9923 0.9409 1445706 Enamine_002012 CCN(CC)c1ccc(NC(=O)CSC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L11 compound treatment 0.404 0.00688 0.25 0.41 0.0155 1.0 0.8863 0.8586 1264561 Enamine_002013 O=C(COC(=O)CSc1ccc2ccccc2c1)NC3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L12 compound treatment 0.392 -0.00512 -0.19 0.387 -0.00753 -0.49 -0.4777 -0.9144 2061370 Enamine_002014 Cc1ccc(cc1)c2nn(cc2/C=C\C(=O)N3CCOCC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L13 compound treatment 0.405 0.00788 0.29 0.413 0.0185 1.2 1.0496 0.8536 1235614 Enamine_002015 CC1Cc2ccccc2N1S(=O)(=O)c3cccc(c3)C(=O)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L14 compound treatment 0.396 -0.00112 -0.04 0.405 0.0105 0.68 0.4498 0.6628 2061371 Enamine_002016 OC(=O)COc1cccc(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L15 compound treatment 0.434 0.0369 1.35 0.408 0.0135 0.87 1.5738 0.9773 1146024 Enamine_002017 Cc1ccccc1NC(=O)COC(=O)c2ccccc2C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L16 compound treatment 0.403 0.00588 0.22 0.409 0.0145 0.94 0.8146 0.8478 2061372 Enamine_002018 Cc1nn(c(Cl)c1/C=N/O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L17 compound treatment 0.413 0.0159 0.58 0.417 0.0225 1.45 1.4403 0.9195 1441247 Enamine_002019 O=C(COC(=O)C1CCC1)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L18 compound treatment 0.404 0.00688 0.25 0.404 0.00947 0.61 0.6118 0.9232 2061373 Enamine_002020 Cc1cc(N)n(n1)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L19 compound treatment 0.408 0.0109 0.4 0.422 0.0275 1.78 1.5393 0.8449 1583749 Enamine_002021 CCC(C)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L20 compound treatment 0.404 0.00688 0.25 0.406 0.0115 0.74 0.7033 0.8972 2061374 Enamine_002022 BrCC1=CCS(=O)(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L21 compound treatment 0.479 0.0819 3.01 0.502 0.107 6.95 7.0436 0.9296 2061375 Enamine_002023 CCCN(CCC)c1ccc(/C=N/n2cnnc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L22 compound treatment 0.402 0.00488 0.18 0.405 0.0105 0.68 0.6056 0.8643 2061376 Enamine_002024 OC(=O)CCSc1ccccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L23 mock treatment 0.404 0.00688 0.25 0.402 0.00747 0.48 0.5203 0.9541 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 L24 mock treatment 0.403 0.00588 0.22 0.4 0.00547 0.35 0.4028 0.9718 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M01 compound treatment 0.398 8.75E-4 0.03 0.402 0.00747 0.48 0.3645 0.7525 1512697 Enamine_002025 COc1ccc(CC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M02 compound treatment 0.413 0.0159 0.58 0.408 0.0135 0.87 1.0285 0.9809 1711025 Enamine_002026 Nc1ccccc1Oc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M03 compound treatment 0.402 0.00488 0.18 0.404 0.00947 0.61 0.5599 0.877 1635554 Enamine_002027 Fc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M04 compound treatment 0.408 0.0109 0.4 0.407 0.0125 0.81 0.8529 0.9474 2061377 Enamine_002028 CCCn1c(SCC(=O)C(C)(C)C)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M05 compound treatment 0.408 0.0109 0.4 0.402 0.00747 0.48 0.6241 0.9955 2061378 Enamine_002029 CN(C)C(=O)c1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M06 compound treatment 0.404 0.00688 0.25 0.409 0.0145 0.94 0.8406 0.8668 1080376 Enamine_002030 CCOC(=O)C1(CCC2(CC1)C(=O)O)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M07 compound treatment 0.421 0.0239 0.88 0.423 0.0285 1.84 1.9226 0.9423 2061379 Enamine_002031 CCOc1cccc(OCC)c2c(C)nc(C)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M08 compound treatment 0.407 0.00987 0.36 0.403 0.00847 0.55 0.6439 0.9799 1074554 Enamine_002032 CC(=O)Nc1ccc2OCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M09 compound treatment 0.397 -1.25E-4 0.0 0.403 0.00847 0.55 0.3843 0.7012 2061380 Enamine_002033 CC1(C)COC(=N1)Nc2ccc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M10 compound treatment 0.404 0.00688 0.25 0.398 0.00347 0.22 0.3372 0.9983 1704039 Enamine_002034 CC(=O)Nc1ccc(cc1)n2cc(nc2SCC(=O)N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M11 compound treatment 0.402 0.00488 0.18 0.4 0.00547 0.35 0.3768 0.9502 1519606 Enamine_002035 CN(C(=O)COC(=O)c1ccc2ccccc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M12 compound treatment 0.41 0.0129 0.47 0.399 0.00447 0.29 0.5388 0.9722 2061381 Enamine_002036 OC(=O)/C(=C/c1ccc(F)cc1)/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M13 compound treatment 0.397 -1.25E-4 0.0 0.403 0.00847 0.55 0.3843 0.7012 1216760 Enamine_002037 OC(CN1CCCCCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M14 compound treatment 0.406 0.00888 0.33 0.408 0.0135 0.87 0.8468 0.91 1653702 Enamine_002038 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M15 compound treatment 0.407 0.00987 0.36 0.405 0.0105 0.68 0.7354 0.9571 1922203 Enamine_002039 CC1CC(=CC(C)C21COC(OC2)c3cccnc3)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M16 compound treatment 0.414 0.0169 0.62 0.415 0.0205 1.32 1.3748 0.9401 2061382 Enamine_002040 CSC(=S)n1c(=Nc2ccccc2)sc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M17 compound treatment 0.4 0.00288 0.11 0.406 0.0115 0.74 0.5994 0.7996 1429696 Enamine_002041 COc1ccc(cc1)c2cc(C(=O)N(C)C)c3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M18 compound treatment 0.41 0.0129 0.47 0.412 0.0175 1.13 1.1337 0.9252 1204459 Enamine_002042 N#CC(=C1CCCCC1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M19 compound treatment 0.402 0.00488 0.18 0.395 4.69E-4 0.03 0.148 0.8153 2061383 Enamine_002043 CN(C)CCCSc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M20 compound treatment 0.4 0.00288 0.11 0.397 0.00247 0.16 0.1876 0.9798 1027410 Enamine_002044 ClCc1csc(n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M21 compound treatment 0.399 0.00188 0.07 0.404 0.00947 0.61 0.482 0.7816 2061384 Enamine_002045 Clc1ccccc1SCC(=O)Nc2ccc(cc2)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M22 compound treatment 0.4 0.00288 0.11 0.403 0.00847 0.55 0.4622 0.8281 1700464 Enamine_002046 COc1ccc(CCNC(=O)CC#N)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M23 mock treatment 0.396 -0.00112 -0.04 0.391 -0.00353 -0.23 -0.1908 -0.8216 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 M24 mock treatment 0.396 -0.00112 -0.04 0.4 0.00547 0.35 0.221 0.6203 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N01 compound treatment 0.392 -0.00512 -0.19 0.405 0.0105 0.68 0.346 0.492 1050957 Enamine_002047 Cc1ccc(cc1)c2ncc(o2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N02 compound treatment 0.395 -0.00212 -0.08 0.395 4.69E-4 0.03 -0.0337 -0.4029 1537907 Enamine_002048 COc1ccc(CCNC(=O)CSCc2ccc(Cl)cc2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N03 compound treatment 0.472 0.0749 2.75 0.469 0.0745 4.82 5.3518 0.9646 1596458 Enamine_002049 Clc1ccccc1NC(=O)COC(=O)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N04 compound treatment 0.397 -1.25E-4 0.0 0.402 0.00747 0.48 0.3385 0.7004 1729473 Enamine_002050 Cc1ccccc1NC(=O)COC(=O)CCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N05 compound treatment 0.452 0.0549 2.02 0.467 0.0725 4.69 4.7409 0.9288 1574951 Enamine_002051 CC(CCc1ccccc1)NC(=O)CSc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N06 compound treatment 0.398 8.75E-4 0.03 0.402 0.00747 0.48 0.3645 0.7525 1254492 Enamine_002052 CC(NC(=O)c1sccc1C)C(N2CCCC2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N07 compound treatment 0.433 0.0359 1.32 0.432 0.0375 2.42 2.646 0.9589 1136512 Enamine_002053 CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N08 compound treatment 0.39 -0.00712 -0.26 0.397 0.00247 0.16 -0.072 -0.235 2061385 Enamine_002054 CC1CC1C(=O)OCC(=O)Nc2ccccc2C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N09 compound treatment 0.405 0.00788 0.29 0.405 0.0105 0.68 0.6835 0.9279 1168176 Enamine_002055 COc1ccccc1CNC(=O)COC(=O)Cc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N10 compound treatment 0.399 0.00188 0.07 0.402 0.00747 0.48 0.3904 0.7998 2061386 Enamine_002056 N/C(=N/O)/c1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N11 compound treatment 0.396 -0.00112 -0.04 0.395 4.69E-4 0.03 -0.0078 -0.1515 1632105 Enamine_002057 O=C(COC(=O)CC1CC2CCC1C2)Nc3ccccc3C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N12 compound treatment 0.39 -0.00712 -0.26 0.391 -0.00353 -0.23 -0.3466 -0.9977 2061387 Enamine_002058 Cc1ccc(cc1)c2nn(cc2/C=C\C(=O)N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N13 compound treatment 0.402 0.00488 0.18 0.402 0.00747 0.48 0.4683 0.9087 2061388 Enamine_002059 Clc1ccccc1SCC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N14 compound treatment 0.396 -0.00112 -0.04 0.396 0.00147 0.1 0.038 0.3666 1026556 Enamine_002060 Cc1ccc(OCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N15 compound treatment 0.395 -0.00212 -0.08 0.407 0.0125 0.81 0.5154 0.6358 1561731 Enamine_002061 Fc1cc(Cl)c(cc1F)C(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N16 compound treatment 0.401 0.00388 0.14 0.404 0.00947 0.61 0.5339 0.8487 1582800 Enamine_002062 O=C(CSCc1nc2ccccc2[nH]1)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N17 compound treatment 0.42 0.0229 0.84 0.413 0.0185 1.2 1.4391 0.9851 1590366 Enamine_002063 CCC(C)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N18 compound treatment 0.398 8.75E-4 0.03 0.399 0.00447 0.29 0.2272 0.7809 2061389 Enamine_002064 CC(C)SCc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N19 compound treatment 0.397 -1.25E-4 0.0 0.4 0.00547 0.35 0.247 0.6979 2061390 Enamine_002065 Clc1ccccc1SCC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N20 compound treatment 0.398 8.75E-4 0.03 0.398 0.00347 0.22 0.1814 0.8002 1255418 Enamine_002066 CC(N(C(=O)c1cccs1)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N21 compound treatment 0.404 0.00688 0.25 0.394 -5.31E-4 -0.03 0.1542 0.6052 2061391 Enamine_002067 Cc1cc(NC(=O)C2CC2)n(n1)c3ccccc3C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N22 compound treatment 0.393 -0.00412 -0.15 0.403 0.00847 0.55 0.2804 0.4932 1249767 Enamine_002068 Cc1ccc(NC(=O)c2ccccc2n3cccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N23 mock treatment 0.396 -0.00112 -0.04 0.392 -0.00253 -0.16 -0.145 -0.8586 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 N24 mock treatment 0.393 -0.00412 -0.15 0.389 -0.00553 -0.36 -0.3602 -0.9268 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O01 compound treatment 0.381 -0.0161 -0.59 0.395 4.69E-4 0.03 -0.3973 -0.67 1353470 Enamine_002069 COc1cccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O02 compound treatment 0.41 0.0129 0.47 0.409 0.0145 0.94 0.9964 0.9499 1207191 Enamine_002070 OCCNc1nc(c(s1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O03 compound treatment 0.402 0.00488 0.18 0.4 0.00547 0.35 0.3768 0.9502 1327489 Enamine_002071 CN(C(=O)COC(=O)c1ccc(cc1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O04 compound treatment 0.413 0.0159 0.58 0.417 0.0225 1.45 1.4403 0.9195 2061392 Enamine_002072 NC(=O)/C=C\c1cn(nc1c2ccc(F)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O05 compound treatment 0.41 0.0129 0.47 0.406 0.0115 0.74 0.8591 0.9763 1027192 Enamine_002073 Nc1ccccc1Oc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O06 compound treatment 0.403 0.00588 0.22 0.413 0.0185 1.2 0.9976 0.8215 1382055 Enamine_002074 Cc1cccc(NC(=O)CSc2ccc3ccccc3c2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O07 compound treatment 0.397 -1.25E-4 0.0 0.4 0.00547 0.35 0.247 0.6979 1162282 Enamine_002075 CN(C1CCS(=O)(=O)C1)C(=O)c2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O08 compound treatment 0.43 0.0329 1.21 0.42 0.0255 1.65 2.019 0.9883 2061393 Enamine_002076 O=C(NCc1ccccc1)/C=C/c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O09 compound treatment 0.418 0.0209 0.77 0.42 0.0255 1.65 1.7075 0.9394 1311809 Enamine_002077 Fc1ccccc1C(Nc2ccccc2)S(=O)(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O10 compound treatment 0.397 -1.25E-4 0.0 0.403 0.00847 0.55 0.3843 0.7012 2061394 Enamine_002078 C(NC1=Nc2ccccc2CC1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O11 compound treatment 0.409 0.0119 0.44 0.406 0.0115 0.74 0.8331 0.9679 1500859 Enamine_002079 O=C(Nc1ccc2cn[nH]c2c1)c3cccc(Oc4ccccc4)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O12 compound treatment 0.411 0.0139 0.51 0.407 0.0125 0.81 0.9308 0.9754 2061395 Enamine_002080 OC(=O)/C(=C/c1cccs1)/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O13 compound treatment 0.396 -0.00112 -0.04 0.406 0.0115 0.74 0.4956 0.6667 2061396 Enamine_002081 Cc1ccc(CCCOC(=O)CN2CCOCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O14 compound treatment 0.41 0.0129 0.47 0.416 0.0215 1.39 1.3167 0.8972 1185948 Enamine_002082 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O15 compound treatment 0.399 0.00188 0.07 0.398 0.00347 0.22 0.2074 0.8834 2061397 Enamine_002083 Cn1c(CO)nc2cc(Cl)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O16 compound treatment 0.414 0.0169 0.62 0.429 0.0345 2.23 2.0154 0.8706 2061398 Enamine_002084 N#C/C(=C/1\CCCN1)/c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O17 compound treatment 0.431 0.0339 1.24 0.432 0.0375 2.42 2.5941 0.9519 1139065 Enamine_002085 COc1cc(Cl)c(C)cc1NC(=O)CSc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O18 compound treatment 0.416 0.0189 0.69 0.46 0.0655 4.24 3.4858 0.812 1589538 Enamine_002086 Cc1oc2cc(O)ccc2c(=O)c1Oc3ccc(cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O19 compound treatment 0.394 -0.00312 -0.11 0.399 0.00447 0.29 0.1233 0.3964 1134079 Enamine_002087 NC(=O)CSc1nc(c[nH]1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O20 compound treatment 0.398 8.75E-4 0.03 0.405 0.0105 0.68 0.5018 0.7398 2061399 Enamine_002088 OC(=O)c1ccccc1OCCOc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O21 compound treatment 0.406 0.00888 0.33 0.418 0.0235 1.52 1.3043 0.8397 2061400 Enamine_002089 Clc1ccccc1CNC(=O)CSc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O22 compound treatment 0.428 0.0309 1.13 0.435 0.0405 2.62 2.6535 0.9298 1687182 Enamine_002090 CCCCc1ccc(NC(=O)CC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O23 mock treatment 0.394 -0.00312 -0.11 0.395 4.69E-4 0.03 -0.0597 -0.5029 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 O24 mock treatment 0.4 0.00288 0.11 0.395 4.69E-4 0.03 0.0961 0.8749 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P01 compound treatment 0.402 0.00488 0.18 0.402 0.00747 0.48 0.4683 0.9087 2061401 Enamine_002091 Nc1ccccc1c2nnc(o2)c3ccc(cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P02 compound treatment 0.396 -0.00112 -0.04 0.399 0.00447 0.29 0.1753 0.6 2061402 Enamine_002092 Clc1ccc(Cl)c(SCC(=O)NCCCn2ccnc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P03 compound treatment 0.404 0.00688 0.25 0.411 0.0165 1.07 0.9321 0.8511 1417586 Enamine_002093 COc1ccccc1CNC(=O)COC(=O)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P04 compound treatment 0.39 -0.00712 -0.26 0.398 0.00347 0.22 -0.0263 -0.0763 1368318 Enamine_002094 Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P05 compound treatment 0.416 0.0189 0.69 0.413 0.0185 1.2 1.3352 0.9664 1136743 Enamine_002095 Fc1ccc(C(=O)OCC(=O)NCc2ccco2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P06 compound treatment 0.402 0.00488 0.18 0.403 0.00847 0.55 0.5141 0.8917 1416753 Enamine_002096 CN(CCC#N)C(=O)c1cc(nc2ccccc12)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P07 compound treatment 0.398 8.75E-4 0.03 0.402 0.00747 0.48 0.3645 0.7525 2061403 Enamine_002097 BrC1(CC2CC3C1)CC(C2)(C3)C(=O)OCC(=O)Nc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P08 compound treatment 0.41 0.0129 0.47 0.414 0.0195 1.26 1.2252 0.9105 1169338 Enamine_002098 COc1ccc(cc1NC(=O)COC(=O)CC2CCCC2)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P09 compound treatment 0.415 0.0179 0.66 0.414 0.0195 1.26 1.355 0.9538 1353324 Enamine_002099 Clc1c(sc2ccccc12)C(=O)OCC(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P10 compound treatment 0.408 0.0109 0.4 0.4 0.00547 0.35 0.5326 0.9982 1601874 Enamine_002100 CNc1ccccc1C(C)(C)c2cc([nH]n2)c3cc(OC)cc(OC)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P11 compound treatment 0.405 0.00788 0.29 0.398 0.00347 0.22 0.3632 0.9922 1631347 Enamine_002101 O=C(COC(=O)Cc1ccsc1)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P12 compound treatment 0.397 -1.25E-4 0.0 0.398 0.00347 0.22 0.1555 0.6925 1023878 Enamine_002102 CC(C)C(NC(=O)OCc1ccccc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P13 compound treatment 0.447 0.0499 1.83 0.431 0.0365 2.36 2.9638 0.9921 1432410 Enamine_002103 Clc1ccccc1SCC(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P14 compound treatment 0.418 0.0209 0.77 0.421 0.0265 1.71 1.7532 0.9343 2061404 Enamine_002104 O=C(C1C(=O)c2ccccc2C1=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P15 compound treatment 0.404 0.00688 0.25 0.403 0.00847 0.55 0.566 0.9381 1578707 Enamine_002105 Brc1ccc(CC(=O)OCC(=O)NC2CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P16 compound treatment 0.397 -1.25E-4 0.0 0.4 0.00547 0.35 0.247 0.6979 2061405 Enamine_002106 Clc1ccc(cc1)C(=O)OC2CCOC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P17 compound treatment 0.408 0.0109 0.4 0.407 0.0125 0.81 0.8529 0.9474 1716856 Enamine_002107 Clc1ccc(cc1)C2(CCCC2)C(=O)OCC(=O)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P18 compound treatment 0.391 -0.00612 -0.22 0.4 0.00547 0.35 0.0912 0.2175 2061406 Enamine_002108 Cc1nccn1c2ccc(cc2N)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P19 compound treatment 0.398 8.75E-4 0.03 0.405 0.0105 0.68 0.5018 0.7398 2061407 Enamine_002109 CC(C)(C)C(=O)CSc1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P20 compound treatment 0.393 -0.00412 -0.15 0.403 0.00847 0.55 0.2804 0.4932 2061408 Enamine_002110 CCOC(=O)c1[nH]cnc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P21 compound treatment 0.398 8.75E-4 0.03 0.408 0.0135 0.87 0.639 0.7327 1198744 Enamine_002111 Cc1cc(NC(=O)C2CCC2)n(n1)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P22 compound treatment 0.391 -0.00612 -0.22 0.391 -0.00353 -0.23 -0.3206 -1.0 1296211 Enamine_002112 CCc1cccc(CC)c1NC(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P23 mock treatment 0.398 8.75E-4 0.03 0.399 0.00447 0.29 0.2272 0.7809 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1399 P24 mock treatment 0.394 -0.00312 -0.11 0.385 -0.00953 -0.62 -0.5173 -0.8245 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A01 compound treatment 0.385 -0.012 -0.44 0.377 -0.0184 -1.19 -1.1553 -0.9083 1190339 Enamine_002113 CC1CCCCC1NC(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A02 compound treatment 0.398 0.001 0.04 0.4 0.00456 0.3 0.2347 0.789 1368612 Enamine_002114 CCOC(=O)C1CCN(CC1)C(=O)CSc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A03 compound treatment 0.395 -0.002 -0.07 0.392 -0.00344 -0.22 -0.2092 -0.8931 2061409 Enamine_002115 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)OCC(=O)NCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A04 compound treatment 0.396 -0.001 -0.04 0.394 -0.00144 -0.09 -0.0917 -0.9174 1364379 Enamine_002116 O=C(COC(=O)c1c2CCCc2nc3ccccc13)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A05 compound treatment 0.401 0.004 0.15 0.399 0.00356 0.23 0.2669 0.9763 1496696 Enamine_002117 COc1ccc(NC(=O)CSC(=O)c2ccccc2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A06 compound treatment 0.397 0.0 0.0 0.394 -0.00144 -0.09 -0.0658 -0.7071 1389640 Enamine_002118 O=C(COCC(=O)N1CCCc2ccccc12)N3CCCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A07 compound treatment 0.439 0.042 1.54 0.423 0.0276 1.78 2.3518 0.9974 2061410 Enamine_002119 Fc1cccc(F)c1NC(=O)COC(=O)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A08 compound treatment 0.393 -0.004 -0.15 0.399 0.00356 0.23 0.0591 0.2164 2061411 Enamine_002120 Cc1cccc(/C=N/n2cnnc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A09 compound treatment 0.392 -0.005 -0.18 0.403 0.00756 0.49 0.2162 0.4137 1286724 Enamine_002121 CC(NC(=O)c1cccnc1)C(N2CCN(C)CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A10 compound treatment 0.412 0.015 0.55 0.409 0.0136 0.88 1.0101 0.9748 2061412 Enamine_002122 CSC(=S)N(C)c1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A11 compound treatment 0.395 -0.002 -0.07 0.4 0.00456 0.3 0.1568 0.5155 2061413 Enamine_002123 COc1ccccc1/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A12 compound treatment 0.399 0.002 0.07 0.41 0.0146 0.94 0.7183 0.7599 1431927 Enamine_002124 NC(=O)c1ccc(NC(=O)COC(=O)C2(CCCC2)c3ccccc3F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A13 compound treatment 0.436 0.039 1.43 0.434 0.0386 2.5 2.7772 0.9653 1245528 Enamine_002125 Cc1ccccc1NC(=O)CSC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A14 compound treatment 0.373 -0.024 -0.88 0.373 -0.0224 -1.45 -1.6499 -0.9714 2061414 Enamine_002126 CC(C)CCOc1ccc(/C=N/n2cnnc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A15 compound treatment 0.388 -0.009 -0.33 0.392 -0.00344 -0.22 -0.391 -0.9814 1187773 Enamine_002127 COc1ccc(cc1)C(=O)NCc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A16 compound treatment 0.398 0.001 0.04 0.403 0.00756 0.49 0.372 0.758 1165863 Enamine_002128 COc1ccccc1C(=O)CSc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A17 compound treatment 0.396 -0.001 -0.04 0.389 -0.00644 -0.42 -0.3205 -0.7665 1609418 Enamine_002129 CN(Cc1ccccc1)C(=O)COC(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A18 compound treatment 0.394 -0.003 -0.11 0.405 0.00956 0.62 0.3597 0.5722 2061415 Enamine_002130 O=C(COC(=O)/C=C/c1ccco1)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A19 compound treatment 0.396 -0.001 -0.04 0.397 0.00156 0.1 0.0455 0.4232 1189097 Enamine_002131 O=C(CSC(=S)N1CCOCC1)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A20 compound treatment 0.397 0.0 0.0 0.391 -0.00444 -0.29 -0.2031 -0.7071 1180219 Enamine_002132 Cc1ccsc1C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A21 compound treatment 0.385 -0.012 -0.44 0.387 -0.00844 -0.55 -0.6977 -0.9943 1254801 Enamine_002133 O=C(COC(=O)c1cccs1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A22 compound treatment 0.392 -0.005 -0.18 0.392 -0.00344 -0.22 -0.2871 -0.9955 1685619 Enamine_002134 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)Nc2ccc(cc2)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A23 mock treatment 0.396 -0.001 -0.04 0.395 -4.37E-4 -0.03 -0.046 -0.9917 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 A24 mock treatment 0.393 -0.004 -0.15 0.381 -0.0144 -0.93 -0.7645 -0.8083 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B01 compound treatment 0.406 0.009 0.33 0.406 0.0106 0.68 0.717 0.9444 1480819 Enamine_002135 CC1CN(CC(C)O1)C(=O)CCSc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B02 compound treatment 0.409 0.012 0.44 0.406 0.0106 0.68 0.7949 0.9775 1713963 Enamine_002136 COc1ccc(Cl)cc1C(=O)Nc2ccc(F)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B03 compound treatment 0.411 0.014 0.51 0.411 0.0156 1.01 1.0756 0.9513 1377467 Enamine_002137 O=C(COc1ccc2c3CCCc3c(=O)oc2c1)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B04 compound treatment 0.408 0.011 0.4 0.403 0.00756 0.49 0.6317 0.9955 2061416 Enamine_002138 Brc1cccc(NC(=O)CSc2nnc[nH]2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B05 compound treatment 0.421 0.024 0.88 0.411 0.0156 1.01 1.3353 0.9978 1274590 Enamine_002139 CCOC(=O)c1c(NC(=O)C(C)(C)C)sc2CCCCc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B06 compound treatment 0.405 0.008 0.29 0.401 0.00556 0.36 0.4623 0.9949 2061417 Enamine_002140 NC(Cc1ccc(OC(F)(F)C(F)(F)F)cc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B07 compound treatment 0.449 0.052 1.91 0.448 0.0526 3.4 3.7554 0.9627 1356905 Enamine_002141 COc1cccc(c1)C(=O)Nc2sc3CCCc3c2C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B08 compound treatment 0.413 0.016 0.59 0.411 0.0156 1.01 1.1276 0.9671 1144556 Enamine_002142 CC1=C(C)C(=O)N(C1=O)c2ccc(cc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B09 compound treatment 0.409 0.012 0.44 0.408 0.0126 0.81 0.8864 0.9586 2061418 Enamine_002143 O=C(CCCCc1nc2ccccc2s1)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B10 compound treatment 0.4 0.003 0.11 0.412 0.0166 1.07 0.8358 0.7757 2061419 Enamine_002144 C/C(=N\n1cnnc1)/c2ccc(O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B11 compound treatment 0.414 0.017 0.62 0.408 0.0126 0.81 1.0163 0.9915 1334879 Enamine_002145 Nc1ccc(cc1Cl)S(=O)(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B12 compound treatment 0.408 0.011 0.4 0.414 0.0186 1.2 1.135 0.8956 1173990 Enamine_002146 Cc1cc(SCC(=O)OCC(=O)N2CCCC2)c(C)cc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B13 compound treatment 0.417 0.02 0.73 0.416 0.0206 1.33 1.4602 0.9608 1222336 Enamine_002147 OC(=O)COc1ccc(OCc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B14 compound treatment 0.463 0.066 2.42 0.471 0.0756 4.89 5.1714 0.9476 2061420 Enamine_002148 Clc1ccc(cc1Cl)C(=O)NC2=NC(=O)CS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B15 compound treatment 0.412 0.015 0.55 0.415 0.0196 1.27 1.2846 0.9305 1677881 Enamine_002149 Cc1cc(C)cc(Oc2ccc(C#N)c(C#N)c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B16 compound treatment 0.385 -0.012 -0.44 0.382 -0.0134 -0.87 -0.9265 -0.9504 1334247 Enamine_002150 OCCn1c(Cc2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B17 compound treatment 0.413 0.016 0.59 0.415 0.0196 1.27 1.3106 0.9391 1310313 Enamine_002151 CCN(Cc1ccncc1)C(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B18 compound treatment 0.403 0.006 0.22 0.4 0.00456 0.3 0.3646 0.9896 1281904 Enamine_002152 Clc1ccc(OCC(=O)OCC(=O)NC2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B19 compound treatment 0.405 0.008 0.29 0.411 0.0156 1.01 0.9198 0.8768 1374695 Enamine_002153 CCOc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B20 compound treatment 0.398 0.001 0.04 0.405 0.00956 0.62 0.4635 0.7478 2061421 Enamine_002154 C(SC1CCCCC1)c2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B21 compound treatment 0.407 0.01 0.37 0.406 0.0106 0.68 0.743 0.9576 2061422 Enamine_002155 Cc1cc(C)n(n1)C(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B22 compound treatment 0.405 0.008 0.29 0.406 0.0106 0.68 0.6911 0.9289 2061423 Enamine_002156 Clc1cc(Cl)cc(c1)C(=O)NCCCn2ccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B23 mock treatment 0.409 0.012 0.44 0.402 0.00656 0.42 0.6119 0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 B24 mock treatment 0.402 0.005 0.18 0.398 0.00256 0.17 0.2471 0.9987 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C01 compound treatment 0.376 -0.021 -0.77 0.379 -0.0164 -1.06 -1.2974 -0.9875 1442385 Enamine_002157 OC1(CCN(Cc2ccco2)CC1C(=O)c3ccc(Cl)cc3)c4ccc(Cl)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C02 compound treatment 0.385 -0.012 -0.44 0.378 -0.0174 -1.13 -1.1095 -0.9159 2061424 Enamine_002158 CN(C)C(=O)c1ccccc1NS(=O)(=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C03 compound treatment 0.404 0.007 0.26 0.4 0.00456 0.3 0.3905 0.9976 1653426 Enamine_002159 Cc1ccc(cc1C)C(=O)OCC(=O)Nc2ccccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C04 compound treatment 0.391 -0.006 -0.22 0.386 -0.00944 -0.61 -0.5876 -0.9051 2061425 Enamine_002160 COc1ccc(cc1)C(=O)/C=C(\O)/C(=O)NC2C3CC4CC(C3)CC2C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C05 compound treatment 0.385 -0.012 -0.44 0.376 -0.0194 -1.26 -1.201 -0.9011 1122264 Enamine_002161 CC(NC(=O)c1ccc(F)cc1)C(N2CCN(C)CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C06 compound treatment 0.373 -0.024 -0.88 0.376 -0.0194 -1.26 -1.5126 -0.9849 2061426 Enamine_002162 O=C(C1CCCC1)c2nnc(o2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C07 compound treatment 0.423 0.026 0.95 0.417 0.0216 1.4 1.6618 0.9829 2061427 Enamine_002163 COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C08 compound treatment 0.392 -0.005 -0.18 0.392 -0.00344 -0.22 -0.2871 -0.9955 1325381 Enamine_002164 O=C(COC(=O)CC1CC2CCC1C2)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C09 compound treatment 0.45 0.053 1.95 0.459 0.0636 4.11 4.2847 0.9416 1533217 Enamine_002165 Cc1nn(c2ccccc2)c3oc(=O)c(NC(=O)c4ccc(F)cc4)cc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C10 compound treatment 0.39 -0.007 -0.26 0.384 -0.0114 -0.74 -0.7051 -0.9 1664265 Enamine_002166 Clc1ccc(NC(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C11 compound treatment 0.42 0.023 0.84 0.421 0.0256 1.65 1.7669 0.9513 2061428 Enamine_002167 CSc1ccccc1NC(=O)COC(=O)/C=C/c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C12 compound treatment 0.382 -0.015 -0.55 0.377 -0.0184 -1.19 -1.2332 -0.9384 2061429 Enamine_002168 CCN(Cc1ccccc1)c2ccc(/C=N/n3cnnc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C13 compound treatment 0.474 0.077 2.83 0.472 0.0766 4.95 5.5028 0.9646 2061430 Enamine_002169 O=C(COC(=O)/C=C/c1cccs1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C14 compound treatment 0.383 -0.014 -0.51 0.385 -0.0104 -0.68 -0.8411 -0.9909 2061431 Enamine_002170 Ic1ccccc1/C=N/n2cnnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C15 compound treatment 0.373 -0.024 -0.88 0.38 -0.0154 -1.0 -1.3296 -0.998 2061432 Enamine_002171 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NCCCN4CCCC4=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C16 compound treatment 0.48 0.083 3.05 0.475 0.0796 5.15 5.7958 0.9687 1175157 Enamine_002172 Oc1ccc(c2n[nH]cc2c3cnn(c3)c4ccccc4)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C17 compound treatment 0.389 -0.008 -0.29 0.391 -0.00444 -0.29 -0.4108 -0.9999 1535263 Enamine_002173 CC1CCN(CC1)C(=O)COC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C18 compound treatment 0.392 -0.005 -0.18 0.387 -0.00844 -0.55 -0.5159 -0.8956 1302755 Enamine_002174 Clc1ccc(CC(=O)OCC(=O)N2CCCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C19 compound treatment 0.379 -0.018 -0.66 0.384 -0.0114 -0.74 -0.9908 -0.9984 1314565 Enamine_002175 CN1CCN(CC1)C(=S)SCC(=O)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C20 compound treatment 0.381 -0.016 -0.59 0.386 -0.00944 -0.61 -0.8473 -0.9998 1135856 Enamine_002176 CCn1c2ccccc2c3cc(NC(=O)CSc4nncn4C)ccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C21 compound treatment 0.375 -0.022 -0.81 0.38 -0.0154 -1.0 -1.2777 -0.9945 1526702 Enamine_002177 CC1CCN(CC1)C(=O)COC(=O)Cc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C22 compound treatment 0.384 -0.013 -0.48 0.385 -0.0104 -0.68 -0.8152 -0.9856 1143163 Enamine_002178 Cc1ccc(s1)C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C23 mock treatment 0.377 -0.02 -0.73 0.375 -0.0204 -1.32 -1.4545 -0.9615 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 C24 mock treatment 0.382 -0.015 -0.55 0.382 -0.0134 -0.87 -1.0044 -0.9757 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D01 compound treatment 0.401 0.004 0.15 0.401 0.00556 0.36 0.3584 0.9219 2061433 Enamine_002179 CCOC(=O)C1CCN(CC1)C(=O)/C(=C/c2ccc(F)cc2)/c3ccsc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D02 compound treatment 0.391 -0.006 -0.22 0.392 -0.00344 -0.22 -0.3131 -1.0 1642662 Enamine_002180 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D03 compound treatment 0.395 -0.002 -0.07 0.407 0.0116 0.75 0.4771 0.6346 2061434 Enamine_002181 CC(=O)Oc1ccc(cc1)c2ccc(cc2)C(=O)NCCCN3CCCC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D04 compound treatment 0.41 0.013 0.48 0.421 0.0256 1.65 1.5073 0.8754 2061435 Enamine_002182 Clc1cccc(/C=C/2\C(=O)Nc3ccccc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D05 compound treatment 0.51 0.113 4.15 0.507 0.112 7.22 8.0391 0.9654 1676081 Enamine_002183 C(Nc1cccc2nonc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D06 compound treatment 0.406 0.009 0.33 0.417 0.0216 1.4 1.2204 0.851 2061436 Enamine_002184 OC(=O)C(Cc1ccccc1)NC(=O)/C=C/c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D07 compound treatment 0.411 0.014 0.51 0.406 0.0106 0.68 0.8469 0.9901 1496677 Enamine_002185 COc1ccccc1C(=O)Nc2sc3CCCc3c2C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D08 compound treatment 0.425 0.028 1.03 0.426 0.0306 1.98 2.1255 0.9536 2061437 Enamine_002186 Cn1cnnc1SCC(=O)c2ccc(cc2)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D09 compound treatment 0.4 0.003 0.11 0.396 5.63E-4 0.04 0.1036 0.8932 1400962 Enamine_002187 CC(C)NC(=C1C(=O)CCC1=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D10 compound treatment 0.395 -0.002 -0.07 0.401 0.00556 0.36 0.2026 0.5515 1196573 Enamine_002188 CCC(C)c1ccc(NC(=O)CSc2nnc[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D11 compound treatment 0.399 0.002 0.07 0.394 -0.00144 -0.09 -0.0138 -0.1168 2061438 Enamine_002189 OC(=O)c1c(O)n(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D12 compound treatment 0.392 -0.005 -0.18 0.398 0.00256 0.17 -0.0126 -0.0508 2061439 Enamine_002190 C(SC1CCCC1)c2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D13 compound treatment 0.378 -0.019 -0.7 0.366 -0.0294 -1.9 -1.8404 -0.9072 2061440 Enamine_002191 O=C1CS/C(=C/c2nc3ccccc3[nH]2)/N1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D14 compound treatment 0.394 -0.003 -0.11 0.404 0.00856 0.55 0.3139 0.5556 1452863 Enamine_002192 CCOC(=O)C1CCN(CC1)C(=O)CSc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D15 compound treatment 0.402 0.005 0.18 0.406 0.0106 0.68 0.6132 0.8663 1653023 Enamine_002193 Cc1[nH]c2ccccc2c1C(O)c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D16 compound treatment 0.403 0.006 0.22 0.41 0.0146 0.94 0.8222 0.8495 1355648 Enamine_002194 CC1CN(CC(C)O1)C(=O)c2c(C)c(nc3ccccc23)c4cccc(Cl)c4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D17 compound treatment 0.404 0.007 0.26 0.41 0.0146 0.94 0.8481 0.8683 2061441 Enamine_002195 O=C(NCCCN1CCCC1=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D18 compound treatment 0.403 0.006 0.22 0.403 0.00756 0.49 0.5018 0.9351 1620291 Enamine_002196 OC(=O)COc1ccccc1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D19 compound treatment 0.442 0.045 1.65 0.452 0.0566 3.66 3.7567 0.9354 1707029 Enamine_002197 CCc1cccc(CC)c1NC(=O)COC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D20 compound treatment 0.397 0.0 0.0 0.396 5.63E-4 0.04 0.0257 0.7071 1641738 Enamine_002198 OCCNC(=O)c1cc2CCCc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D21 compound treatment 0.382 -0.015 -0.55 0.396 5.63E-4 0.04 -0.3638 -0.6589 2061442 Enamine_002199 Fc1cccc(c1)C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D22 compound treatment 0.392 -0.005 -0.18 0.394 -0.00144 -0.09 -0.1956 -0.9503 2061443 Enamine_002200 COc1ccccc1/C=C(/C(=O)O)\c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D23 mock treatment 0.396 -0.001 -0.04 0.399 0.00356 0.23 0.137 0.5871 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 D24 mock treatment 0.396 -0.001 -0.04 0.395 -4.37E-4 -0.03 -0.046 -0.9917 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E01 compound treatment 0.403 0.006 0.22 0.393 -0.00244 -0.16 0.0443 0.1633 1550715 Enamine_002201 Brc1ccc(SCC(=O)N2CCN(CC2)C(=O)c3ccco3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E02 compound treatment 0.485 0.088 3.23 0.477 0.0816 5.28 6.0172 0.9723 1374707 Enamine_002202 O=C(Nc1nc2ccccc2[nH]1)c3cccc(Oc4ccccc4)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E03 compound treatment 0.41 0.013 0.48 0.406 0.0106 0.68 0.8209 0.9846 2061444 Enamine_002203 CCN(Cc1ccccc1)C(=O)CSc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E04 compound treatment 0.502 0.105 3.86 0.498 0.103 6.64 7.4195 0.9666 2061445 Enamine_002204 CCOC(=O)/C=C/1\NC(=C(C1=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E05 compound treatment 0.399 0.002 0.07 0.397 0.00156 0.1 0.1234 0.9877 1153756 Enamine_002205 C(c1cn2ccsc2n1)c3nnc4CCCn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E06 compound treatment 0.409 0.012 0.44 0.4 0.00456 0.3 0.5204 0.981 1476899 Enamine_002206 CN(C(=O)c1ccccc1)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E07 compound treatment 0.453 0.056 2.06 0.432 0.0366 2.37 3.1272 0.9976 2061446 Enamine_002207 Fc1ccc(NC(=O)COC(=O)/C=C/c2ccco2)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E08 compound treatment 0.415 0.018 0.66 0.404 0.00856 0.55 0.8592 0.9962 1704328 Enamine_002208 Clc1cccc(NS(=O)(=O)c2cccc(c2)C(=O)N3CCCCC3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E09 compound treatment 0.41 0.013 0.48 0.399 0.00356 0.23 0.5006 0.9442 2061447 Enamine_002209 Cc1ccc(SCC(=O)NCc2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E10 compound treatment 0.41 0.013 0.48 0.411 0.0156 1.01 1.0497 0.9418 1648713 Enamine_002210 O=C(CSc1ccc2ccccc2c1)OCC(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E11 compound treatment 0.418 0.021 0.77 0.434 0.0386 2.5 2.3098 0.8844 2061448 Enamine_002211 COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(c2)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E12 compound treatment 0.441 0.044 1.62 0.442 0.0466 3.01 3.2731 0.9573 2061449 Enamine_002212 Clc1c2ccccc2c(/C=N/n3cnnc3)c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E13 compound treatment 0.435 0.038 1.4 0.426 0.0306 1.98 2.3852 0.9854 1131167 Enamine_002213 Cc1ccc(C)c(SCC(=O)OCC(=O)N2CCCc3ccccc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E14 compound treatment 0.397 0.0 0.0 0.404 0.00856 0.55 0.3918 0.7071 2061450 Enamine_002214 Fc1cccc(F)c1/C=N/n2cnnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E15 compound treatment 0.425 0.028 1.03 0.425 0.0296 1.91 2.0798 0.9576 2061451 Enamine_002215 FC(F)(F)c1ccccc1NC(=O)CSc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E16 compound treatment 0.4 0.003 0.11 0.404 0.00856 0.55 0.4697 0.8314 2061452 Enamine_002216 CC(C)C(=O)N=c1scc(c2ccccc2)n1c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E17 compound treatment 0.399 0.002 0.07 0.411 0.0156 1.01 0.764 0.7567 1243721 Enamine_002217 CCc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E18 compound treatment 0.406 0.009 0.33 0.409 0.0136 0.88 0.8543 0.9109 2061453 Enamine_002218 Cc1ccnc(SCC(=O)Nc2cccc(c2)C(F)(F)F)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E19 compound treatment 0.408 0.011 0.4 0.416 0.0206 1.33 1.2265 0.882 1680719 Enamine_002219 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)c4nccn4C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E20 compound treatment 0.4 0.003 0.11 0.406 0.0106 0.68 0.5612 0.8106 1419949 Enamine_002220 Brc1ccc(o1)C(=O)OCC(=O)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E21 compound treatment 0.401 0.004 0.15 0.403 0.00756 0.49 0.4499 0.8805 1512681 Enamine_002221 CN(C1CCCCC1)C(=O)COC(=O)Cc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E22 compound treatment 0.434 0.037 1.36 0.442 0.0466 3.01 3.0914 0.9353 2061454 Enamine_002222 Oc1ccc(Br)cc1C(=O)OCC(=O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E23 mock treatment 0.394 -0.003 -0.11 0.396 5.63E-4 0.04 -0.0522 -0.4496 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 E24 mock treatment 0.397 0.0 0.0 0.401 0.00556 0.36 0.2545 0.7071 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F01 compound treatment 0.412 0.015 0.55 0.406 0.0106 0.68 0.8728 0.9943 1408852 Enamine_002223 CCOC(=O)C1CCCN(C1)C(=O)c2cccc(Oc3ccccc3)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F02 compound treatment 0.413 0.016 0.59 0.402 0.00656 0.42 0.7158 0.9873 1405869 Enamine_002224 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F03 compound treatment 0.453 0.056 2.06 0.459 0.0636 4.11 4.3626 0.9487 1588537 Enamine_002225 Clc1cc(NC(=O)C2CCCC2)nc(NC(=O)C3CCCC3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F04 compound treatment 0.411 0.014 0.51 0.415 0.0196 1.27 1.2587 0.9212 1658440 Enamine_002226 Cc1nnc(NC(=O)C2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F05 compound treatment 0.426 0.029 1.06 0.41 0.0146 0.94 1.4194 0.9981 1711154 Enamine_002227 COC(=O)C1(CC2(C)CC3(C)C1)CC(C2)(C3)C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F06 compound treatment 0.407 0.01 0.37 0.41 0.0146 0.94 0.926 0.9156 2061455 Enamine_002228 OC(=O)CC(O)(c1ccccc1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F07 compound treatment 0.413 0.016 0.59 0.412 0.0166 1.07 1.1733 0.96 1342559 Enamine_002229 COc1ccc(CCNC(=O)C2(CC3CC4CC(C3)C2)C4)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F08 compound treatment 0.42 0.023 0.84 0.413 0.0176 1.14 1.4009 0.9893 2061456 Enamine_002230 Cc1ccc(/N=C/c2ccc(F)c(F)c2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F09 compound treatment 0.401 0.004 0.15 0.411 0.0156 1.01 0.816 0.8018 2061457 Enamine_002231 OC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F10 compound treatment 0.414 0.017 0.62 0.407 0.0116 0.75 0.9705 0.9959 1308331 Enamine_002232 CC1CCCN(C1)C(=O)COC(=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F11 compound treatment 0.402 0.005 0.18 0.407 0.0116 0.75 0.6589 0.8553 2061458 Enamine_002233 Cc1ccccc1NC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F12 compound treatment 0.411 0.014 0.51 0.407 0.0116 0.75 0.8926 0.9832 2061459 Enamine_002234 O=C(NCCCn1ccnc1)c2cc3CCCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F13 compound treatment 0.431 0.034 1.25 0.429 0.0336 2.17 2.4186 0.9654 1302478 Enamine_002235 Clc1ccc(Nc2nc3ccccc3c(=O)s2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F14 compound treatment 0.407 0.01 0.37 0.411 0.0156 1.01 0.9718 0.9066 1740519 Enamine_002236 CCOC(=O)C1CCCN(C1)C(=O)c2ccccc2OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F15 compound treatment 0.409 0.012 0.44 0.414 0.0186 1.2 1.161 0.9074 2061460 Enamine_002237 O=C(/N=C\1/CCCCCN1)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F16 compound treatment 0.408 0.011 0.4 0.413 0.0176 1.14 1.0893 0.9031 1656104 Enamine_002238 CN1CCCN(CC1)C(=O)c2ccccc2OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F17 compound treatment 0.405 0.008 0.29 0.417 0.0216 1.4 1.1944 0.8376 1585930 Enamine_002239 CCOc1ccccc1C(=O)OCC(=O)Nc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F18 compound treatment 0.409 0.012 0.44 0.425 0.0296 1.91 1.6643 0.8478 1720380 Enamine_002240 Cc1ccc(cc1NC(=O)c2ccco2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F19 compound treatment 0.423 0.026 0.95 0.424 0.0286 1.85 1.9821 0.9528 1465368 Enamine_002241 Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(F)cc2F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F20 compound treatment 0.417 0.02 0.73 0.412 0.0166 1.07 1.2772 0.983 1566563 Enamine_002242 COC(=O)c1ccc(CNC(=O)c2cc3CCCCc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F21 compound treatment 0.416 0.019 0.7 0.418 0.0226 1.46 1.5258 0.9429 2061461 Enamine_002243 NC(=O)COC(=O)/C=C/c1ccc(I)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F22 compound treatment 0.405 0.008 0.29 0.411 0.0156 1.01 0.9198 0.8768 1269062 Enamine_002244 NC(=O)c1c(NC(=O)c2ccccc2)sc3CCCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F23 mock treatment 0.405 0.008 0.29 0.403 0.00756 0.49 0.5538 0.9702 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 F24 mock treatment 0.403 0.006 0.22 0.408 0.0126 0.81 0.7306 0.8675 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G01 compound treatment 0.443 0.046 1.69 0.429 0.0336 2.17 2.7302 0.9923 2061462 Enamine_002245 Brc1ccc(SCC(=O)NCCCc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G02 compound treatment 0.4 0.003 0.11 0.403 0.00756 0.49 0.4239 0.8451 2061463 Enamine_002246 O=C(NCCCN1CCCC1=O)c2cccc(Oc3ccccc3)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G03 compound treatment 0.395 -0.002 -0.07 0.396 5.63E-4 0.04 -0.0262 -0.3196 2061464 Enamine_002247 FC(F)(F)c1cccc(CC(=O)OCC(=O)NCC2CCCO2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G04 compound treatment 0.407 0.01 0.37 0.39 -0.00544 -0.35 0.0109 0.0213 2061465 Enamine_002248 Oc1ccc(cc1)C2C=C(Nc3ccccc3)C(=O)N2c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G05 compound treatment 0.398 0.001 0.04 0.397 0.00156 0.1 0.0975 0.906 1594856 Enamine_002249 COc1ccccc1CNC(=O)CSc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G06 compound treatment 0.403 0.006 0.22 0.405 0.00956 0.62 0.5934 0.9033 1318590 Enamine_002250 CC(NC(=O)COc1ccccc1)C(N2CCN(C)CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G07 compound treatment 0.401 0.004 0.15 0.402 0.00656 0.42 0.4042 0.8994 1208366 Enamine_002251 Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccncc2)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G08 compound treatment 0.414 0.017 0.62 0.409 0.0136 0.88 1.062 0.9861 2061466 Enamine_002252 O=C(NCc1ccco1)c2cn(nc2c3cccnc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G09 compound treatment 0.465 0.068 2.5 0.463 0.0676 4.37 4.8572 0.9647 2061467 Enamine_002253 COc1ccccc1C(=O)CSc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G10 compound treatment 0.397 0.0 0.0 0.394 -0.00144 -0.09 -0.0658 -0.7071 2061468 Enamine_002254 Fc1cccc(/C=N/n2cnnc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G11 compound treatment 0.391 -0.006 -0.22 0.389 -0.00644 -0.42 -0.4504 -0.9557 1190191 Enamine_002255 Oc1ccc(cc1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G12 compound treatment 0.55 0.153 5.62 0.554 0.159 10.26 11.2284 0.9598 2061469 Enamine_002256 C(=N/n1cnnc1)\c2ccc(cc2)N(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G13 compound treatment 0.405 0.008 0.29 0.398 0.00256 0.17 0.325 0.9634 1690371 Enamine_002257 Fc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G14 compound treatment 0.4 0.003 0.11 0.403 0.00756 0.49 0.4239 0.8451 2061470 Enamine_002258 CC(=O)OCC(=O)Nc1ccc(I)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G15 compound treatment 0.403 0.006 0.22 0.409 0.0136 0.88 0.7764 0.858 1546203 Enamine_002259 COc1ccccc1N2CCN(CC2)C(=O)c3cccc(Oc4ccccc4)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G16 compound treatment 0.437 0.04 1.47 0.448 0.0526 3.4 3.4438 0.9295 1182744 Enamine_002260 COC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G17 compound treatment 0.403 0.006 0.22 0.406 0.0106 0.68 0.6391 0.8899 1462013 Enamine_002261 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)N2CCC(C)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G18 compound treatment 0.444 0.047 1.73 0.403 0.00756 0.49 1.5665 0.8732 2061471 Enamine_002262 CC(C)(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G19 compound treatment 0.401 0.004 0.15 0.397 0.00156 0.1 0.1754 0.9834 1412932 Enamine_002263 Clc1cc(C(=O)N2CCc3ccccc3C2)c4ccccc4n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G20 compound treatment 0.395 -0.002 -0.07 0.404 0.00856 0.55 0.3399 0.6081 1219622 Enamine_002264 CCOC(=O)C1CCCN(C1)C(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G21 compound treatment 0.504 0.107 3.93 0.532 0.137 8.84 9.0272 0.9334 1286232 Enamine_002265 O=C(CSc1cccc2cccnc12)NC(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G22 compound treatment 0.394 -0.003 -0.11 0.398 0.00256 0.17 0.0394 0.1977 1340113 Enamine_002266 NC(=O)COC(=O)c1cccc(I)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G23 mock treatment 0.391 -0.006 -0.22 0.397 0.00156 0.1 -0.0843 -0.3477 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 G24 mock treatment 0.395 -0.002 -0.07 0.397 0.00156 0.1 0.0196 0.1565 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H01 compound treatment 0.406 0.009 0.33 0.409 0.0136 0.88 0.8543 0.9109 1397055 Enamine_002267 Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)NC4CCC(O)CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H02 compound treatment 0.398 0.001 0.04 0.402 0.00656 0.42 0.3263 0.7654 1293388 Enamine_002268 O=C(Cc1cn2ccsc2n1)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H03 compound treatment 0.399 0.002 0.07 0.399 0.00356 0.23 0.2149 0.8884 1280271 Enamine_002269 Cc1ccc(cc1)c2cc(C(=O)N3CCC(CC3)C(=O)N)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H04 compound treatment 0.401 0.004 0.15 0.396 5.63E-4 0.04 0.1296 0.8564 1345140 Enamine_002270 CCOc1ccc(NC(=O)CC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H05 compound treatment 0.402 0.005 0.18 0.398 0.00256 0.17 0.2471 0.9987 1126416 Enamine_002271 CCCc1nc2ccccc2c(C(=O)O)c1CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H06 compound treatment 0.396 -0.001 -0.04 0.396 5.63E-4 0.04 -2.0E-4 -0.0044 2061472 Enamine_002272 OC(=O)C1CCCN1C(=O)/C=C/c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H07 compound treatment 0.405 0.008 0.29 0.408 0.0126 0.81 0.7826 0.9053 2061473 Enamine_002273 CC(C)N/C(=C\1/C(=O)OC(C)C1=O)/C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H08 compound treatment 0.402 0.005 0.18 0.4 0.00456 0.3 0.3386 0.9739 1167461 Enamine_002274 CCC1CCCCN1C(=O)COC(=O)CSc2cc(C)ccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H09 compound treatment 0.402 0.005 0.18 0.399 0.00356 0.23 0.2928 0.9936 1108167 Enamine_002275 CN(C)CCSc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H10 compound treatment 0.396 -0.001 -0.04 0.402 0.00656 0.42 0.2743 0.6436 1633579 Enamine_002276 CC1CCCN(C1)C(=O)COC(=O)CSc2ccc(Br)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H11 compound treatment 0.402 0.005 0.18 0.4 0.00456 0.3 0.3386 0.9739 2061474 Enamine_002277 Cc1ccccc1NC2=NCCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H12 compound treatment 0.398 0.001 0.04 0.4 0.00456 0.3 0.2347 0.789 1369724 Enamine_002278 O=C(NCc1ccco1)c2cc3CCCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H13 compound treatment 0.405 0.008 0.29 0.398 0.00256 0.17 0.325 0.9634 2061475 Enamine_002279 CCc1cc2c3nncn3cnc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H14 compound treatment 0.397 0.0 0.0 0.399 0.00356 0.23 0.163 0.7071 1419680 Enamine_002280 CN(C1CCN(C)CC1)C(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H15 compound treatment 0.473 0.076 2.79 0.469 0.0736 4.76 5.3395 0.9676 1164225 Enamine_002281 NC1=C(C(=O)CS1)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H16 compound treatment 0.397 0.0 0.0 0.398 0.00256 0.17 0.1173 0.7071 1579489 Enamine_002282 O=C(NCCc1ccccn1)c2ccccc2OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H17 compound treatment 0.522 0.125 4.59 0.469 0.0736 4.76 6.6119 0.9998 2061476 Enamine_002283 COc1ccc(Cl)cc1NC(=O)COC(=O)c2cc(F)c(F)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H18 compound treatment 0.396 -0.001 -0.04 0.398 0.00256 0.17 0.0913 0.5375 1651124 Enamine_002284 OC(=O)c1ccc(Cl)cc1NC(=O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H19 compound treatment 0.437 0.04 1.47 0.429 0.0336 2.17 2.5744 0.9819 1445809 Enamine_002285 CCOc1ccccc1NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H20 compound treatment 0.425 0.028 1.03 0.416 0.0206 1.33 1.668 0.9919 1342537 Enamine_002286 CC(=O)Oc1ccc(cc1)c2ccc(cc2)C(=O)NCCc3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H21 compound treatment 0.422 0.025 0.92 0.418 0.0226 1.46 1.6816 0.975 1251977 Enamine_002287 CCOc1ccccc1NC(=O)COC(=O)Cc2c(Cl)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H22 compound treatment 0.398 0.001 0.04 0.393 -0.00244 -0.16 -0.0856 -0.5284 1011870 Enamine_002288 CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H23 mock treatment 0.399 0.002 0.07 0.4 0.00456 0.3 0.2607 0.8569 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 H24 mock treatment 0.403 0.006 0.22 0.392 -0.00344 -0.22 -0.0015 -0.0048 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I01 compound treatment 0.422 0.025 0.92 0.418 0.0226 1.46 1.6816 0.975 1464727 Enamine_002289 COC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I02 compound treatment 0.409 0.012 0.44 0.413 0.0176 1.14 1.1152 0.9149 2061477 Enamine_002290 CC(C)(C)C(=O)CSc1ncccn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I03 compound treatment 0.45 0.053 1.95 0.443 0.0476 3.08 3.5526 0.9756 2061478 Enamine_002291 Fc1cc(Br)ccc1NC(=O)CSC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I04 compound treatment 0.406 0.009 0.33 0.4 0.00456 0.3 0.4425 0.9984 1183629 Enamine_002292 O=C(COC(=O)c1ccccc1Cc2ccccc2)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I05 compound treatment 0.406 0.009 0.33 0.409 0.0136 0.88 0.8543 0.9109 2061479 Enamine_002293 O=C(CSc1ccccc1)Nc2ccccc2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I06 compound treatment 0.405 0.008 0.29 0.415 0.0196 1.27 1.1029 0.8486 1486794 Enamine_002294 O=C(N1CCCC1)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I07 compound treatment 0.391 -0.006 -0.22 0.397 0.00156 0.1 -0.0843 -0.3477 1642668 Enamine_002295 Oc1ccccc1C(=O)OCC(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I08 compound treatment 0.416 0.019 0.7 0.41 0.0146 0.94 1.1597 0.9891 1176483 Enamine_002296 CC1CCCC(C)N1C(=O)c2ccccc2NS(=O)(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I09 compound treatment 0.415 0.018 0.66 0.404 0.00856 0.55 0.8592 0.9962 2061480 Enamine_002297 CSc1ccccc1NC(=O)CSc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I10 compound treatment 0.406 0.009 0.33 0.412 0.0166 1.07 0.9916 0.8841 1299106 Enamine_002298 Fc1ccc(cc1)C2(CCCC2)C(=O)OCC(=O)NC3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I11 compound treatment 0.462 0.065 2.39 0.448 0.0526 3.4 4.093 0.985 2061481 Enamine_002299 COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I12 compound treatment 0.528 0.131 4.81 0.51 0.115 7.41 8.6438 0.9781 2061482 Enamine_002300 Cc1c(/C=N/n2cnnc2)c3ccccn3c1C(=O)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I13 compound treatment 0.41 0.013 0.48 0.412 0.0166 1.07 1.0954 0.9336 1401997 Enamine_002301 CN(C)CCNC(=O)c1cc(nc2ccccc12)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I14 compound treatment 0.404 0.007 0.26 0.411 0.0156 1.01 0.8939 0.86 2061483 Enamine_002302 C1CCC(CC1)/C=N/n2cnnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I15 compound treatment 0.4 0.003 0.11 0.407 0.0116 0.75 0.607 0.8026 1463577 Enamine_002303 Cn1cc(O)nc1NC(=O)c2cccc(Oc3ccccc3)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I16 compound treatment 0.406 0.009 0.33 0.407 0.0116 0.75 0.7628 0.9325 1629688 Enamine_002304 CCc1cc(C(=O)OCC(=O)Nc2ccccc2F)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I17 compound treatment 0.465 0.068 2.5 0.447 0.0516 3.34 4.1251 0.9898 2061484 Enamine_002305 COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I18 compound treatment 0.415 0.018 0.66 0.41 0.0146 0.94 1.1337 0.9849 2061485 Enamine_002306 NC(=O)COC(=O)c1ccc(Br)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I19 compound treatment 0.401 0.004 0.15 0.411 0.0156 1.01 0.816 0.8018 2061486 Enamine_002307 CC1SC(=NC1=O)NC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I20 compound treatment 0.414 0.017 0.62 0.417 0.0216 1.4 1.4281 0.9342 1229751 Enamine_002308 NC(=O)c1ccccc1NC(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I21 compound treatment 0.405 0.008 0.29 0.403 0.00756 0.49 0.5538 0.9702 1217805 Enamine_002309 CN(Cc1ccccc1)C(=O)COC(=O)Cc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I22 compound treatment 0.427 0.03 1.1 0.428 0.0326 2.11 2.269 0.9542 2061487 Enamine_002310 COc1cc(/C=C/2\C(=O)Nc3ccc(Cl)cc23)cc(OC)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I23 mock treatment 0.403 0.006 0.22 0.4 0.00456 0.3 0.3646 0.9896 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 I24 mock treatment 0.407 0.01 0.37 0.398 0.00256 0.17 0.3769 0.9355 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J01 compound treatment 0.398 0.001 0.04 0.405 0.00956 0.62 0.4635 0.7478 1212174 Enamine_002311 CC(=CCOc1ccc2c(C)cc(=O)oc2c1)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J02 compound treatment 0.393 -0.004 -0.15 0.398 0.00256 0.17 0.0134 0.0604 1168468 Enamine_002312 O=C(N1CCN(CC1)C(=O)c2cc3CCCCc3s2)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J03 compound treatment 0.402 0.005 0.18 0.396 5.63E-4 0.04 0.1556 0.8311 1643845 Enamine_002313 CN(Cc1ccccc1)C(=O)c2cc(nc3ccccc23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J04 compound treatment 0.396 -0.001 -0.04 0.398 0.00256 0.17 0.0913 0.5375 1297843 Enamine_002314 Cc1nnc(NC(=O)c2ccccc2Br)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J05 compound treatment 0.469 0.072 2.64 0.45 0.0546 3.53 4.3663 0.9898 1527842 Enamine_002315 CCOc1ccc(cc1)c2csc(NC(=O)Cc3ccccc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J06 compound treatment 0.389 -0.008 -0.29 0.399 0.00356 0.23 -0.0447 -0.1197 2061488 Enamine_002316 OC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J07 compound treatment 0.395 -0.002 -0.07 0.395 -4.37E-4 -0.03 -0.072 -0.9141 1162552 Enamine_002317 CCOC(=S)SCc1cn2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J08 compound treatment 0.45 0.053 1.95 0.43 0.0346 2.24 2.9577 0.9976 2061489 Enamine_002318 O=C(CSc1ncccn1)c2ccc(cc2)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J09 compound treatment 0.4 0.003 0.11 0.398 0.00256 0.17 0.1952 0.9803 1579287 Enamine_002319 Cc1cccc(C)c1NC(=O)CSCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J10 compound treatment 0.394 -0.003 -0.11 0.397 0.00156 0.1 -0.0064 -0.0428 1439913 Enamine_002320 CC1CCN(CC1)C(=O)CSC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J11 compound treatment 0.448 0.051 1.87 0.448 0.0526 3.4 3.7294 0.9605 1713983 Enamine_002321 Cc1cc(C)c2nc(NC(=O)Cc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J12 compound treatment 0.393 -0.004 -0.15 0.397 0.00156 0.1 -0.0324 -0.1815 1263838 Enamine_002322 CN(C1CCN(C)CC1)C(=O)c2cc3CCCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J13 compound treatment 0.405 0.008 0.29 0.413 0.0176 1.14 1.0114 0.8616 2061490 Enamine_002323 CCOc1ccc(/N=C/2\CSC(=O)N2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J14 compound treatment 0.391 -0.006 -0.22 0.396 5.63E-4 0.04 -0.1301 -0.5824 1529042 Enamine_002324 Fc1cc(Cl)c(cc1F)C(=O)N2CCN(CC2)c3ncccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J15 compound treatment 0.41 0.013 0.48 0.402 0.00656 0.42 0.6379 0.9983 1342340 Enamine_002325 Fc1ccc(cc1)c2cc(C(=O)NCc3ccco3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J16 compound treatment 0.392 -0.005 -0.18 0.401 0.00556 0.36 0.1247 0.3086 2061491 Enamine_002326 Cn1ccnc1SCc2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J17 compound treatment 0.404 0.007 0.26 0.398 0.00256 0.17 0.299 0.9775 1449057 Enamine_002327 CC1CCN(CC1)C(=O)c2ccccc2NS(=O)(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J18 compound treatment 0.402 0.005 0.18 0.399 0.00356 0.23 0.2928 0.9936 1036739 Enamine_002328 Cc1ccc(cc1S(=O)(=O)N)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J19 compound treatment 0.442 0.045 1.65 0.439 0.0436 2.82 3.1618 0.9676 1167524 Enamine_002329 Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J20 compound treatment 0.433 0.036 1.32 0.427 0.0316 2.04 2.379 0.9778 1343689 Enamine_002330 Clc1cc(Cl)cc(c1)C(=O)Nc2cccc3cnccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J21 compound treatment 0.398 0.001 0.04 0.399 0.00356 0.23 0.189 0.8095 1116322 Enamine_002331 CCOc1ccccc1OCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J22 compound treatment 0.397 0.0 0.0 0.392 -0.00344 -0.22 -0.1573 -0.7071 2061492 Enamine_002332 ClCCCC(=O)Nc1sc2CCCCc2c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J23 mock treatment 0.391 -0.006 -0.22 0.392 -0.00344 -0.22 -0.3131 -1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 J24 mock treatment 0.398 0.001 0.04 0.393 -0.00244 -0.16 -0.0856 -0.5284 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K01 compound treatment 0.412 0.015 0.55 0.408 0.0126 0.81 0.9643 0.982 2061493 Enamine_002333 O=C(NCCCn1ccnc1)c2ccc(Oc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K02 compound treatment 0.409 0.012 0.44 0.407 0.0116 0.75 0.8407 0.9681 1123170 Enamine_002334 COc1ccccc1NCC(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K03 compound treatment 0.4 0.003 0.11 0.4 0.00456 0.3 0.2867 0.9097 1597602 Enamine_002335 COc1ccccc1NC(=O)COC(=O)Cc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K04 compound treatment 0.427 0.03 1.1 0.422 0.0266 1.72 1.9944 0.9769 1350424 Enamine_002336 COc1ccccc1NC(=O)COC(=O)c2ccccc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K05 compound treatment 0.402 0.005 0.18 0.408 0.0126 0.81 0.7047 0.8455 2061494 Enamine_002337 CC(C)(C)C(=O)CSC1=NCCS1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K06 compound treatment 0.417 0.02 0.73 0.415 0.0196 1.27 1.4145 0.9665 1718253 Enamine_002338 O=C(CSc1nc2ccccc2[nH]1)Nc3cccc(Oc4ccccc4)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K07 compound treatment 0.439 0.042 1.54 0.448 0.0526 3.4 3.4958 0.936 1415951 Enamine_002339 O=C(COC(=O)c1ccc2ccccc2n1)NC(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K08 compound treatment 0.401 0.004 0.15 0.41 0.0146 0.94 0.7702 0.8076 2061495 Enamine_002340 CNC(=O)c1ccccc1NS(=O)(=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K09 compound treatment 0.437 0.04 1.47 0.446 0.0506 3.27 3.3523 0.9347 2061496 Enamine_002341 CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc(c2)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K10 compound treatment 0.404 0.007 0.26 0.402 0.00656 0.42 0.4821 0.9711 1313433 Enamine_002342 CCC1CCCCN1C(=O)COC(=O)c2cnc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K11 compound treatment 0.439 0.042 1.54 0.428 0.0326 2.11 2.5806 0.9882 2061497 Enamine_002343 Cc1ccc(Cl)cc1NC(=O)COC(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K12 compound treatment 0.438 0.041 1.51 0.429 0.0336 2.17 2.6004 0.984 1594942 Enamine_002344 NC(=O)c1ccc(NC(=O)CSC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K13 compound treatment 0.39 -0.007 -0.26 0.403 0.00756 0.49 0.1643 0.2972 1713641 Enamine_002345 CCNC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K14 compound treatment 0.407 0.01 0.37 0.412 0.0166 1.07 1.0175 0.8981 2061498 Enamine_002346 O=C(/C=C/c1cn(nc1c2cccnc2)c3ccccc3)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K15 compound treatment 0.4 0.003 0.11 0.403 0.00756 0.49 0.4239 0.8451 1456432 Enamine_002347 NC(=O)C1CCN(CC1)C(=O)c2ccc(Oc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K16 compound treatment 0.436 0.039 1.43 0.454 0.0586 3.79 3.6924 0.9114 1239752 Enamine_002348 Cc1nc2ccccc2c(C(=O)OCC(=O)Nc3ccc(Cl)cc3F)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K17 compound treatment 0.412 0.015 0.55 0.417 0.0216 1.4 1.3762 0.9174 2061499 Enamine_002349 CC1CCN(CC1)C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K18 compound treatment 0.403 0.006 0.22 0.404 0.00856 0.55 0.5476 0.9183 2061500 Enamine_002350 Brc1ccccc1C(=O)OCC(=O)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K19 compound treatment 0.398 0.001 0.04 0.399 0.00356 0.23 0.189 0.8095 1525383 Enamine_002351 Cc1ccc(Cl)cc1NC(=O)COC(=O)C2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K20 compound treatment 0.401 0.004 0.15 0.404 0.00856 0.55 0.4957 0.8647 1653804 Enamine_002352 O=C(Nc1nc2CCN(Cc3ccccc3)Cc2s1)C4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K21 compound treatment 0.398 0.001 0.04 0.392 -0.00344 -0.22 -0.1313 -0.5825 1640990 Enamine_002353 CCOc1ccc(cc1)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K22 compound treatment 0.402 0.005 0.18 0.405 0.00956 0.62 0.5674 0.879 2061501 Enamine_002354 Clc1ccc2NC(=O)/C(=C\c3ccc4OCOc4c3)/c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K23 mock treatment 0.392 -0.005 -0.18 0.394 -0.00144 -0.09 -0.1956 -0.9503 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 K24 mock treatment 0.402 0.005 0.18 0.398 0.00256 0.17 0.2471 0.9987 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L01 compound treatment 0.405 0.008 0.29 0.413 0.0176 1.14 1.0114 0.8616 1589976 Enamine_002355 CCc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc34)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L02 compound treatment 0.402 0.005 0.18 0.398 0.00256 0.17 0.2471 0.9987 1276235 Enamine_002356 O=C(NC1CCCC1)c2ccccc2OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L03 compound treatment 0.405 0.008 0.29 0.408 0.0126 0.81 0.7826 0.9053 1195777 Enamine_002357 CC(CNS(=O)(=O)c1ccccc1)(N2CCCCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L04 compound treatment 0.401 0.004 0.15 0.401 0.00556 0.36 0.3584 0.9219 2061502 Enamine_002358 Cc1nnc(NC(=O)c2cccc(Cl)c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L05 compound treatment 0.41 0.013 0.48 0.416 0.0206 1.33 1.2785 0.9044 1688331 Enamine_002359 CCOc1ccc(cc1)C(=O)Nc2sc3CCCc3c2C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L06 compound treatment 0.409 0.012 0.44 0.407 0.0116 0.75 0.8407 0.9681 2061503 Enamine_002360 COC(=O)/C(=C/c1ccc(OC(F)(F)F)cc1)/NC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L07 compound treatment 0.404 0.007 0.26 0.403 0.00756 0.49 0.5278 0.9548 2061504 Enamine_002361 CC(C)Cn1c(CCCO)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L08 compound treatment 0.404 0.007 0.26 0.399 0.00356 0.23 0.3448 0.9985 2061505 Enamine_002362 Cc1ccnc(SCC(=O)C(C)(C)C)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L09 compound treatment 0.406 0.009 0.33 0.404 0.00856 0.55 0.6255 0.9695 2061506 Enamine_002363 CCn1c(C)nc2cc(ccc12)C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L10 compound treatment 0.405 0.008 0.29 0.402 0.00656 0.42 0.508 0.9838 2061507 Enamine_002364 CCN(C1CCCCC1)C(=O)CSc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L11 compound treatment 0.426 0.029 1.06 0.428 0.0326 2.11 2.243 0.95 2061508 Enamine_002365 Brc1ccc(s1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L12 compound treatment 0.399 0.002 0.07 0.4 0.00456 0.3 0.2607 0.8569 2061509 Enamine_002366 O=C(NCCCN1CCOCC1)c2cc3CCCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L13 compound treatment 0.408 0.011 0.4 0.415 0.0196 1.27 1.1808 0.8886 1269226 Enamine_002367 OC1(CCN(CC2CCCO2)CC1C(=O)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L14 compound treatment 0.405 0.008 0.29 0.41 0.0146 0.94 0.8741 0.8855 2061510 Enamine_002368 Clc1ccc(/C=C/C(=O)Nc2cccc3cnccc23)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L15 compound treatment 0.413 0.016 0.59 0.421 0.0256 1.65 1.5852 0.903 1524033 Enamine_002369 CCOC(=O)Nc1nc2c(F)c(F)c(F)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L16 compound treatment 0.403 0.006 0.22 0.412 0.0166 1.07 0.9137 0.835 1588897 Enamine_002370 CN(C)c1cccc(c1)C(=O)OCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L17 compound treatment 0.4 0.003 0.11 0.401 0.00556 0.36 0.3324 0.8831 1458225 Enamine_002371 Oc1cc(NC(=O)c2cc(nc3ccccc23)c4ccc(F)cc4)n[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L18 compound treatment 0.457 0.06 2.2 0.45 0.0546 3.53 4.0547 0.9742 1718661 Enamine_002372 COc1ccc(NC(=O)c2ccccc2OCc3ccccc3)cn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L19 compound treatment 0.419 0.022 0.81 0.42 0.0246 1.59 1.6952 0.9507 2061511 Enamine_002373 Ic1ccc(/C=C/C(=O)OCC(=O)NC2CC2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L20 compound treatment 0.419 0.022 0.81 0.422 0.0266 1.72 1.7867 0.9407 2061512 Enamine_002374 O=C(NCCCn1ccnc1)c2ccccc2OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L21 compound treatment 0.398 0.001 0.04 0.4 0.00456 0.3 0.2347 0.789 1644202 Enamine_002375 CCOc1ccccc1NC(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L22 compound treatment 0.399 0.002 0.07 0.401 0.00556 0.36 0.3065 0.8342 2061513 Enamine_002376 C1CCc2nnc(c3ccc(/N=C/c4ccsc4)cc3)n2CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L23 mock treatment 0.404 0.007 0.26 0.405 0.00956 0.62 0.6193 0.9243 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 L24 mock treatment 0.398 0.001 0.04 0.402 0.00656 0.42 0.3263 0.7654 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M01 compound treatment 0.4 0.003 0.11 0.408 0.0126 0.81 0.6527 0.7957 1357298 Enamine_002377 CN(C1CCN(C)CC1)C(=O)c2cc(nc3ccccc23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M02 compound treatment 0.404 0.007 0.26 0.404 0.00856 0.55 0.5736 0.939 2061514 Enamine_002378 FC(F)(F)c1cccc(NC(=O)c2cc([nH]n2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M03 compound treatment 0.438 0.041 1.51 0.439 0.0436 2.82 3.058 0.9568 2061515 Enamine_002379 Clc1ccc(C#N)c(NC(=O)CSC(=O)c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M04 compound treatment 0.421 0.024 0.88 0.423 0.0276 1.78 1.8844 0.9472 1190054 Enamine_002380 COc1ccc(NC(=O)c2cc(nc3ccccc23)c4ccco4)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M05 compound treatment 0.407 0.01 0.37 0.404 0.00856 0.55 0.6515 0.98 1632061 Enamine_002381 CC(C)NC(=O)c1cc2c(C)nn(c3ccccc3)c2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M06 compound treatment 0.409 0.012 0.44 0.418 0.0226 1.46 1.344 0.8813 2061516 Enamine_002382 Clc1ccccc1NC(=O)COC(=O)c2ccccc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M07 compound treatment 0.404 0.007 0.26 0.399 0.00356 0.23 0.3448 0.9985 1712342 Enamine_002383 CCc1cccc(CC)c1NC(=O)COC(=O)c2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M08 compound treatment 0.415 0.018 0.66 0.41 0.0146 0.94 1.1337 0.9849 1473303 Enamine_002384 CCN(CC)C(=O)c1cc(nc2ccccc12)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M09 compound treatment 0.442 0.045 1.65 0.44 0.0446 2.88 3.2076 0.9651 2061517 Enamine_002385 NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M10 compound treatment 0.401 0.004 0.15 0.401 0.00556 0.36 0.3584 0.9219 2061518 Enamine_002386 CC1(C)C2CC1C(=CC2)/C=N/n3cnnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M11 compound treatment 0.403 0.006 0.22 0.403 0.00756 0.49 0.5018 0.9351 1313455 Enamine_002387 Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M12 compound treatment 0.399 0.002 0.07 0.395 -4.37E-4 -0.03 0.0319 0.4054 2061519 Enamine_002388 Cc1ccc(/C=N/n2cnnc2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M13 compound treatment 0.397 0.0 0.0 0.406 0.0106 0.68 0.4833 0.7071 1502425 Enamine_002389 CC1CCN(CC1)C(=O)C2Cc3ccccc3CN2S(=O)(=O)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M14 compound treatment 0.405 0.008 0.29 0.406 0.0106 0.68 0.6911 0.9289 2061520 Enamine_002390 O=C(/C=C/c1cn(nc1c2cccnc2)c3ccccc3)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M15 compound treatment 0.397 0.0 0.0 0.4 0.00456 0.3 0.2088 0.7071 1194657 Enamine_002391 CC(=O)N1CCN(CC1)C(=O)c2cccc(Oc3ccccc3)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M16 compound treatment 0.404 0.007 0.26 0.4 0.00456 0.3 0.3905 0.9976 2061521 Enamine_002392 BrC1(CC2CC3C1)CC(C2)(C3)C(=O)OCC(=O)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M17 compound treatment 0.403 0.006 0.22 0.405 0.00956 0.62 0.5934 0.9033 2061522 Enamine_002393 FC(F)(F)Oc1ccc(cc1)C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M18 compound treatment 0.403 0.006 0.22 0.405 0.00956 0.62 0.5934 0.9033 1464995 Enamine_002394 NC(=O)COC(=O)c1ccc(F)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M19 compound treatment 0.4 0.003 0.11 0.397 0.00156 0.1 0.1494 0.9991 1439249 Enamine_002395 CN(Cc1ccccc1)C(=O)COC(=O)c2cnc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M20 compound treatment 0.397 0.0 0.0 0.399 0.00356 0.23 0.163 0.7071 1382209 Enamine_002396 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc2ccccc2)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M21 compound treatment 0.394 -0.003 -0.11 0.4 0.00456 0.3 0.1309 0.4153 2061523 Enamine_002397 FC(F)(F)Oc1ccc(cc1)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M22 compound treatment 0.396 -0.001 -0.04 0.396 5.63E-4 0.04 -2.0E-4 -0.0044 2061524 Enamine_002398 C(SCc1ccccc1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M23 mock treatment 0.397 0.0 0.0 0.396 5.63E-4 0.04 0.0257 0.7071 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 M24 mock treatment 0.395 -0.002 -0.07 0.397 0.00156 0.1 0.0196 0.1565 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N01 compound treatment 0.397 0.0 0.0 0.402 0.00656 0.42 0.3003 0.7071 1531355 Enamine_002399 Cc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc34)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N02 compound treatment 0.399 0.002 0.07 0.396 5.63E-4 0.04 0.0777 0.9476 1376198 Enamine_002400 CCOc1ccc2cc(c3ccccn3)c(=N)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N03 compound treatment 0.403 0.006 0.22 0.399 0.00356 0.23 0.3188 0.9997 2061525 Enamine_002401 Cc1ccc(s1)C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N04 compound treatment 0.397 0.0 0.0 0.397 0.00156 0.1 0.0715 0.7071 1205100 Enamine_002402 CC(C(O)c1ccccc1)N(C)S(=O)(=O)c2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N05 compound treatment 0.399 0.002 0.07 0.405 0.00956 0.62 0.4895 0.7855 1577371 Enamine_002403 CCCCC(=O)Nc1sc2CCCc2c1C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N06 compound treatment 0.399 0.002 0.07 0.402 0.00656 0.42 0.3522 0.8173 2061526 Enamine_002404 Oc1nccc(n1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N07 compound treatment 0.402 0.005 0.18 0.41 0.0146 0.94 0.7962 0.8293 1509419 Enamine_002405 O=C(Cc1nc2ccccc2o1)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N08 compound treatment 0.39 -0.007 -0.26 0.4 0.00456 0.3 0.027 0.069 1639872 Enamine_002406 CN(C1CCCCC1)C(=O)COC(=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N09 compound treatment 0.396 -0.001 -0.04 0.392 -0.00344 -0.22 -0.1833 -0.8128 1244058 Enamine_002407 Cc1csc(n1)C(C(=O)O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N10 compound treatment 0.392 -0.005 -0.18 0.393 -0.00244 -0.16 -0.2414 -0.9971 2061527 Enamine_002408 NNc1ccccc1C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N11 compound treatment 0.359 -0.038 -1.4 0.356 -0.0394 -2.55 -2.7913 -0.9597 2061528 Enamine_002409 Cc1nn(c(O)c1C(=O)Nc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N12 compound treatment 0.399 0.002 0.07 0.396 5.63E-4 0.04 0.0777 0.9476 1702090 Enamine_002410 O=C(COCC(=O)N1CCc2ccccc12)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N13 compound treatment 0.403 0.006 0.22 0.405 0.00956 0.62 0.5934 0.9033 2061529 Enamine_002411 Cc1occc(=O)c1OC(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N14 compound treatment 0.397 0.0 0.0 0.398 0.00256 0.17 0.1173 0.7071 2061530 Enamine_002412 FC(F)(F)c1cccc(CC(=O)OCC(=O)NC2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N15 compound treatment 0.391 -0.006 -0.22 0.401 0.00556 0.36 0.0987 0.2339 1442475 Enamine_002413 CCOC(=O)CSCc1cn2cc(Cl)ccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N16 compound treatment 0.397 0.0 0.0 0.4 0.00456 0.3 0.2088 0.7071 1164253 Enamine_002414 CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c3cccc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N17 compound treatment 0.403 0.006 0.22 0.401 0.00556 0.36 0.4103 0.9723 2061531 Enamine_002415 CC(=O)N1CCN(CC1)C(=O)/C(=C/c2ccc(F)cc2)/c3ccsc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N18 compound treatment 0.402 0.005 0.18 0.401 0.00556 0.36 0.3844 0.9512 2061532 Enamine_002416 O=C(NC1=NCCS1)c2ccccc2OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N19 compound treatment 0.396 -0.001 -0.04 0.395 -4.37E-4 -0.03 -0.046 -0.9917 1557580 Enamine_002417 CCOc1ccccc1NC(=O)COC(=O)c2cc(Cl)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N20 compound treatment 0.403 0.006 0.22 0.407 0.0116 0.75 0.6849 0.8781 1425145 Enamine_002418 Cc1cc(NC(=O)c2ccccc2OCc3ccccc3)no1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N21 compound treatment 0.401 0.004 0.15 0.397 0.00156 0.1 0.1754 0.9834 1227727 Enamine_002419 O=C(CC#N)NCC1CCCO1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N22 compound treatment 0.392 -0.005 -0.18 0.392 -0.00344 -0.22 -0.2871 -0.9955 1210340 Enamine_002420 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N23 mock treatment 0.394 -0.003 -0.11 0.396 5.63E-4 0.04 -0.0522 -0.4496 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 N24 mock treatment 0.397 0.0 0.0 0.392 -0.00344 -0.22 -0.1573 -0.7071 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O01 compound treatment 0.394 -0.003 -0.11 0.395 -4.37E-4 -0.03 -0.0979 -0.8609 2061533 Enamine_002421 FC(F)(F)c1ccccc1NC(=O)COC(=O)Cc2ccsc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O02 compound treatment 0.453 0.056 2.06 0.444 0.0486 3.14 3.6762 0.9789 2061534 Enamine_002422 Cc1ccc(N/C(=C\C(=O)c2ccccc2)/C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O03 compound treatment 0.404 0.007 0.26 0.392 -0.00344 -0.22 0.0245 0.072 1608442 Enamine_002423 CC(C)c1ccccc1NC(=O)COC(=O)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O04 compound treatment 0.402 0.005 0.18 0.404 0.00856 0.55 0.5216 0.8936 1441341 Enamine_002424 Cc1c(Cl)cccc1NC(=O)c2cc(nc3ccccc23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O05 compound treatment 0.456 0.059 2.17 0.459 0.0636 4.11 4.4405 0.9552 2061535 Enamine_002425 O=C(CSC(=O)c1ccccc1)Nc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O06 compound treatment 0.407 0.01 0.37 0.407 0.0116 0.75 0.7887 0.9463 1668963 Enamine_002426 CC1CCCN(C1)C(=O)COC(=O)COc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O07 compound treatment 0.419 0.022 0.81 0.423 0.0276 1.78 1.8325 0.9359 1420860 Enamine_002427 Oc1cc2ccccc2cc1C(=O)OCC(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O08 compound treatment 0.424 0.027 0.99 0.419 0.0236 1.52 1.7793 0.9783 1694386 Enamine_002428 O=C(NCc1ccncc1)c2cc(nc3ccccc23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O09 compound treatment 0.406 0.009 0.33 0.407 0.0116 0.75 0.7628 0.9325 2061536 Enamine_002429 COc1ccccc1NC(=O)CSC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O10 compound treatment 0.397 0.0 0.0 0.396 5.63E-4 0.04 0.0257 0.7071 1709976 Enamine_002430 COc1ccccc1NC(=O)COC(=O)C2(CCCC2)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O11 compound treatment 0.424 0.027 0.99 0.428 0.0326 2.11 2.1911 0.9409 2061537 Enamine_002431 CC(C)c1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O12 compound treatment 0.398 0.001 0.04 0.398 0.00256 0.17 0.1432 0.8433 2061538 Enamine_002432 Cc1nn(c(Cl)c1/C=N/n2cnnc2)c3cccc(c3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O13 compound treatment 0.395 -0.002 -0.07 0.403 0.00756 0.49 0.2941 0.5943 1519467 Enamine_002433 CCCc1cc(=O)oc2cc(OC(C)C)c(Cl)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O14 compound treatment 0.406 0.009 0.33 0.403 0.00756 0.49 0.5797 0.9817 1231919 Enamine_002434 O=C(COCC(=O)N1CCc2ccccc2C1)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O15 compound treatment 0.398 0.001 0.04 0.4 0.00456 0.3 0.2347 0.789 1353285 Enamine_002435 CC1CCN(CC1)C(=O)COC(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O16 compound treatment 0.398 0.001 0.04 0.407 0.0116 0.75 0.555 0.7409 2061539 Enamine_002436 NC(=O)COC(=O)/C=C/c1cccs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O17 compound treatment 0.401 0.004 0.15 0.398 0.00256 0.17 0.2211 0.9982 1421499 Enamine_002437 O=C(CSc1ccccc1)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O18 compound treatment 0.4 0.003 0.11 0.396 5.63E-4 0.04 0.1036 0.8932 2061540 Enamine_002438 CC(C)(C)C(=O)COC(=O)c1cc(Br)ccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O19 compound treatment 0.394 -0.003 -0.11 0.394 -0.00144 -0.09 -0.1437 -0.9965 1622143 Enamine_002439 CC1CCN(CC1)C(=O)COC(=O)COc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O20 compound treatment 0.394 -0.003 -0.11 0.4 0.00456 0.3 0.1309 0.4153 1302964 Enamine_002440 Fc1ccc(NC(=O)CCSc2ccc(Cl)cc2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O21 compound treatment 0.4 0.003 0.11 0.391 -0.00444 -0.29 -0.1252 -0.4069 1742075 Enamine_002441 Clc1ccc(OCC(=O)OCC(=O)N2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O22 compound treatment 0.393 -0.004 -0.15 0.399 0.00356 0.23 0.0591 0.2164 1674713 Enamine_002442 CC(=CCOc1ccc2c3CCCCc3c(=O)oc2c1C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O23 mock treatment 0.395 -0.002 -0.07 0.392 -0.00344 -0.22 -0.2092 -0.8931 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 O24 mock treatment 0.395 -0.002 -0.07 0.394 -0.00144 -0.09 -0.1177 -0.9932 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P01 compound treatment 0.393 -0.004 -0.15 0.403 0.00756 0.49 0.2422 0.474 1607236 Enamine_002443 CCCc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc34)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P02 compound treatment 0.397 0.0 0.0 0.398 0.00256 0.17 0.1173 0.7071 2061541 Enamine_002444 Cn1cnnc1SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P03 compound treatment 0.402 0.005 0.18 0.407 0.0116 0.75 0.6589 0.8553 2061542 Enamine_002445 O=C(Cc1ccccc1)OCC(=O)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P04 compound treatment 0.401 0.004 0.15 0.391 -0.00444 -0.29 -0.0992 -0.3075 1006878 Enamine_002446 OC(=O)COc1ccccc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P05 compound treatment 0.409 0.012 0.44 0.405 0.00956 0.62 0.7492 0.9862 1150733 Enamine_002447 NC(=O)c1c(NC(=O)c2cccc(Br)c2)sc3CCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P06 compound treatment 0.4 0.003 0.11 0.395 -4.37E-4 -0.03 0.0579 0.5089 2061543 Enamine_002448 CNCc1ccccc1C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P07 compound treatment 0.399 0.002 0.07 0.398 0.00256 0.17 0.1692 0.9329 2061544 Enamine_002449 O/C(=C\c1nc2ccccc2[nH]1)/C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P08 compound treatment 0.396 -0.001 -0.04 0.394 -0.00144 -0.09 -0.0917 -0.9174 2061545 Enamine_002450 C/1C(Oc2ccccc2\C1=N\n3cnnc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P09 compound treatment 0.408 0.011 0.4 0.402 0.00656 0.42 0.5859 0.9997 1490442 Enamine_002451 OC(=O)COc1ccc(C#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P10 compound treatment 0.399 0.002 0.07 0.389 -0.00644 -0.42 -0.2426 -0.5736 2061546 Enamine_002452 COc1ccc(C)cc1NC2=NCCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P11 compound treatment 0.402 0.005 0.18 0.395 -4.37E-4 -0.03 0.1098 0.5911 1985113 Enamine_002453 Cc1cc(N)n(n1)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P12 compound treatment 0.393 -0.004 -0.15 0.395 -4.37E-4 -0.03 -0.1239 -0.8282 1384445 Enamine_002454 Clc1ccc(cc1S(=O)(=O)N2CCCC2)C(=O)NCCc3c[nH]c4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P13 compound treatment 0.407 0.01 0.37 0.406 0.0106 0.68 0.743 0.9576 1553191 Enamine_002455 Cc1[nH]c2ccccc2c1C(Nc3ccccc3)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P14 compound treatment 0.394 -0.003 -0.11 0.396 5.63E-4 0.04 -0.0522 -0.4496 1396154 Enamine_002456 OCCn1c(nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P15 compound treatment 0.401 0.004 0.15 0.417 0.0216 1.4 1.0905 0.7772 1659564 Enamine_002457 CC(NC(=O)CSc1cc(C)ccc1C)C(N2CCOCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P16 compound treatment 0.4 0.003 0.11 0.4 0.00456 0.3 0.2867 0.9097 1151535 Enamine_002458 O=C(CSC(=O)c1ccccc1)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P17 compound treatment 0.403 0.006 0.22 0.397 0.00156 0.1 0.2273 0.9376 1461237 Enamine_002459 CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P18 compound treatment 0.387 -0.01 -0.37 0.392 -0.00344 -0.22 -0.417 -0.9712 2061547 Enamine_002460 C(SCc1ccccc1)c2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P19 compound treatment 0.401 0.004 0.15 0.401 0.00556 0.36 0.3584 0.9219 1466090 Enamine_002461 O=C(CSC(=O)c1ccccc1)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P20 compound treatment 0.396 -0.001 -0.04 0.398 0.00256 0.17 0.0913 0.5375 1560008 Enamine_002462 Nc1ccc(cc1)c2nc3ccccc3n2CCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P21 compound treatment 0.402 0.005 0.18 0.4 0.00456 0.3 0.3386 0.9739 2061548 Enamine_002463 Cc1nc2ccc(CO)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P22 compound treatment 0.393 -0.004 -0.15 0.395 -4.37E-4 -0.03 -0.1239 -0.8282 1310623 Enamine_002464 COc1ccc(cc1)c2cc(C(=O)N3CCC(CC3)C(=O)N)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P23 mock treatment 0.396 -0.001 -0.04 0.402 0.00656 0.42 0.2743 0.6436 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1400 P24 mock treatment 0.402 0.005 0.18 0.382 -0.0134 -0.87 -0.485 -0.5458 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A01 compound treatment 0.379 -0.017 -0.63 0.365 -0.0301 -1.95 -1.8207 -0.8893 1440574 Enamine_002465 CCN(CC(O)c1cccc(O)c1)C(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A02 compound treatment 0.393 -0.00303 -0.11 0.389 -0.00612 -0.4 -0.359 -0.872 2061549 Enamine_002466 Clc1nc2ccccn2c1C(=O)SCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A03 compound treatment 0.393 -0.00303 -0.11 0.399 0.00388 0.25 0.0986 0.3594 1578041 Enamine_002467 Fc1ccccc1N2CCN(CC2)C(=O)CSc3ccc4ccccc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A04 compound treatment 0.393 -0.00303 -0.11 0.391 -0.00412 -0.27 -0.2675 -0.9248 2061550 Enamine_002468 N#Cc1ccccc1CSC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A05 compound treatment 0.387 -0.00903 -0.33 0.389 -0.00612 -0.4 -0.5148 -0.9961 2061551 Enamine_002469 Cc1ccc(cc1)c2csc(/N=C/c3cc(Br)ccc3O)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A06 compound treatment 0.394 -0.00203 -0.07 0.39 -0.00512 -0.33 -0.2873 -0.845 1489606 Enamine_002470 CC1CCCC(C)N1C(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A07 compound treatment 0.401 0.00497 0.18 0.4 0.00488 0.32 0.3521 0.9661 2061552 Enamine_002471 CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NC2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A08 compound treatment 0.565 0.169 6.2 0.556 0.161 10.41 11.7489 0.9694 2061553 Enamine_002472 O=C1CCCC1=c2sc(=Cc3cccnc3)c(=O)n2c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A09 compound treatment 0.409 0.013 0.48 0.412 0.0169 1.09 1.1089 0.9308 2061554 Enamine_002473 c1coc(c1)c2csc(n2)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A10 compound treatment 0.42 0.024 0.88 0.417 0.0219 1.42 1.6233 0.9739 2061555 Enamine_002474 O=S(=O)(NCCOc1ccccc1)c2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A11 compound treatment 0.394 -0.00203 -0.07 0.392 -0.00312 -0.2 -0.1957 -0.9081 1280355 Enamine_002475 CN(C1CCN(C)CC1)C(=O)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A12 compound treatment 0.399 0.00297 0.11 0.403 0.00788 0.51 0.4374 0.8394 1315749 Enamine_002476 OC(=O)CC1(CC(=O)NC2CCN(Cc3ccccc3)CC2)CCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A13 compound treatment 0.398 0.00197 0.07 0.396 8.75E-4 0.06 0.0912 0.9927 1382105 Enamine_002477 Nc1ccccc1C(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A14 compound treatment 0.388 -0.00803 -0.29 0.388 -0.00712 -0.46 -0.5346 -0.9767 1334982 Enamine_002478 CC(C)C(=O)N(C)C1(CCCCC1=O)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A15 compound treatment 0.387 -0.00903 -0.33 0.388 -0.00712 -0.46 -0.5605 -0.9869 1374775 Enamine_002479 Cc1cc(NC(=O)CSc2cc(C)ccc2C)n(n1)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A16 compound treatment 0.39 -0.00603 -0.22 0.392 -0.00312 -0.2 -0.2996 -0.999 1308134 Enamine_002480 CN(C)CC(C)(O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A17 compound treatment 0.395 -0.00103 -0.04 0.392 -0.00312 -0.2 -0.1698 -0.8252 1454595 Enamine_002481 O=C(CCC1CCCC1)OCC(=O)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A18 compound treatment 0.397 9.69E-4 0.04 0.394 -0.00112 -0.07 -0.0263 -0.3249 2061556 Enamine_002482 O=C(NCCN1CCOCC1)c2cn3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A19 compound treatment 0.389 -0.00703 -0.26 0.389 -0.00612 -0.4 -0.4628 -0.9784 1528434 Enamine_002483 Cc1cc(C)n2cc(CN)nc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A20 compound treatment 0.395 -0.00103 -0.04 0.39 -0.00512 -0.33 -0.2613 -0.7828 2061557 Enamine_002484 CC(C)NC(=O)c1c(Cl)nc2sccn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A21 compound treatment 0.382 -0.014 -0.52 0.38 -0.0151 -0.98 -1.0564 -0.9551 1723087 Enamine_002485 O=C(N(C1CCCCC1)c2ccccn2)c3cc4ccccc4oc3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A22 compound treatment 0.39 -0.00603 -0.22 0.391 -0.00412 -0.27 -0.3454 -0.9957 1358309 Enamine_002486 Fc1ccccc1OCc2nnc3CCCCCn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A23 mock treatment 0.392 -0.00403 -0.15 0.391 -0.00412 -0.27 -0.2934 -0.9613 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 A24 mock treatment 0.39 -0.00603 -0.22 0.384 -0.0111 -0.72 -0.6657 -0.8838 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B01 compound treatment 0.408 0.012 0.44 0.406 0.0109 0.7 0.8084 0.9743 1024713 Enamine_002487 Clc1ccc(Nc2nc3ccccc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B02 compound treatment 0.402 0.00597 0.22 0.405 0.00988 0.64 0.6068 0.8983 2061558 Enamine_002488 COc1ccc(CN2C(c3cccc(Cl)c3)C(F)(F)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B03 compound treatment 0.414 0.018 0.66 0.411 0.0159 1.03 1.193 0.9771 1698818 Enamine_002489 CC(C)N(C(=O)CSC1=NCCS1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B04 compound treatment 0.407 0.011 0.4 0.412 0.0169 1.09 1.057 0.9081 1287030 Enamine_002490 Cc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B05 compound treatment 0.414 0.018 0.66 0.411 0.0159 1.03 1.193 0.9771 1704598 Enamine_002491 CC1CCCC(NC(=O)CSC2=NCCS2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B06 compound treatment 0.46 0.064 2.35 0.477 0.0819 5.3 5.4075 0.933 2061559 Enamine_002492 Fc1ccc(NC(=O)CCSc2ccc(Br)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B07 compound treatment 0.41 0.014 0.51 0.415 0.0199 1.29 1.2722 0.9187 1360884 Enamine_002493 CC1CCCC(NC(=O)COC(=O)c2ccc(C#N)cc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B08 compound treatment 0.417 0.021 0.77 0.417 0.0219 1.42 1.5454 0.959 1366965 Enamine_002494 O=C(COC(=O)c1ccccn1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B09 compound treatment 0.432 0.036 1.32 0.437 0.0419 2.71 2.8501 0.9454 1607717 Enamine_002495 CC(C)(C)C(=O)COC(=O)c1sc2ccccc2c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B10 compound treatment 0.39 -0.00603 -0.22 0.391 -0.00412 -0.27 -0.3454 -0.9957 1554521 Enamine_002496 Cc1ccccc1OCC(=O)OCC(=O)Nc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B11 compound treatment 0.412 0.016 0.59 0.407 0.0119 0.77 0.958 0.9911 1638470 Enamine_002497 Fc1ccc(CCNC(=O)c2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B12 compound treatment 0.405 0.00897 0.33 0.41 0.0149 0.96 0.9135 0.8979 1351863 Enamine_002498 CN1CCCN(CC1)C(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B13 compound treatment 0.413 0.017 0.62 0.412 0.0169 1.09 1.2128 0.9646 1460122 Enamine_002499 Cc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B14 compound treatment 0.425 0.029 1.06 0.429 0.0339 2.19 2.3023 0.9449 1734275 Enamine_002500 CC1CCCC(NC(=O)COC(=O)c2ccccc2O)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B15 compound treatment 0.416 0.02 0.73 0.414 0.0189 1.22 1.3822 0.9702 1424419 Enamine_002501 CC1Cc2ccccc2N1C(=O)COC(=O)c3n[nH]c4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B16 compound treatment 0.409 0.013 0.48 0.409 0.0139 0.9 0.9716 0.956 1611646 Enamine_002502 COc1cccc(C(=O)Nc2cc(C)nn2c3ccccc3)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B17 compound treatment 0.417 0.021 0.77 0.416 0.0209 1.35 1.4997 0.9645 1507342 Enamine_002503 Cc1cc(C)c(NC(=O)c2cc(=O)c3ccccc3o2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B18 compound treatment 0.405 0.00897 0.33 0.404 0.00888 0.57 0.639 0.9652 1431221 Enamine_002504 CC(C)N(c1ccccc1)c2ccc(NC(=O)COC(=O)C3CC3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B19 compound treatment 0.402 0.00597 0.22 0.409 0.0139 0.9 0.7899 0.8546 2061560 Enamine_002505 Fc1cc(Cl)ccc1NC(=O)COCC(=O)Nc2ccc(Cl)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B20 compound treatment 0.398 0.00197 0.07 0.404 0.00888 0.57 0.4572 0.7899 1181893 Enamine_002506 Oc1ccccc1C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B21 compound treatment 0.403 0.00697 0.26 0.405 0.00988 0.64 0.6328 0.9193 2061561 Enamine_002507 Clc1ccc(C#N)c(/N=C/c2ccco2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B22 compound treatment 0.4 0.00397 0.15 0.402 0.00688 0.44 0.4176 0.8921 1598619 Enamine_002508 Brc1ccc(SCC(=O)NC2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B23 mock treatment 0.406 0.00997 0.37 0.402 0.00688 0.44 0.5734 0.9953 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 B24 mock treatment 0.397 9.69E-4 0.04 0.395 -1.25E-4 -0.01 0.0194 0.5327 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C01 compound treatment 0.374 -0.022 -0.81 0.376 -0.0191 -1.24 -1.4472 -0.9788 1491016 Enamine_002509 Cc1cc(Cl)ccc1OCC(=O)Nc2ncc(Br)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C02 compound treatment 0.388 -0.00803 -0.29 0.388 -0.00712 -0.46 -0.5346 -0.9767 1615912 Enamine_002510 NC(=O)C1CCN(CC1)C(=O)CSc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C03 compound treatment 0.383 -0.013 -0.48 0.383 -0.0121 -0.78 -0.8932 -0.9719 1216353 Enamine_002511 CCOC(=O)C1CCN(CC1)C(=O)CSc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C04 compound treatment 0.387 -0.00903 -0.33 0.386 -0.00912 -0.59 -0.6521 -0.9628 1185188 Enamine_002512 Cc1cc(C)c2c(N)c(sc2n1)C(=O)N3CCC(Cc4ccccc4)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C05 compound treatment 0.383 -0.013 -0.48 0.379 -0.0161 -1.04 -1.0762 -0.9375 1583293 Enamine_002513 Nc1nc2ccc(Oc3ccccc3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C06 compound treatment 0.383 -0.013 -0.48 0.38 -0.0151 -0.98 -1.0305 -0.9458 1444335 Enamine_002514 O=C(NC1CC1)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C07 compound treatment 0.383 -0.013 -0.48 0.383 -0.0121 -0.78 -0.8932 -0.9719 1723095 Enamine_002515 Cc1ccc(C)c(c1)C(=O)N(CCC#N)Cc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C08 compound treatment 0.394 -0.00203 -0.07 0.397 0.00188 0.12 0.0331 0.2321 2061562 Enamine_002516 Cc1ccccc1S(=O)(=O)/N=C/2\CCCCCN2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C09 compound treatment 0.404 0.00797 0.29 0.444 0.0489 3.16 2.4433 0.7692 1984179 Enamine_002517 COc1ccc(cc1)c2csc(n2)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C10 compound treatment 0.385 -0.011 -0.41 0.384 -0.0111 -0.72 -0.7955 -0.963 2061563 Enamine_002518 CCCc1nc2C(=O)CC(C)(C)Cc2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C11 compound treatment 0.384 -0.012 -0.44 0.381 -0.0141 -0.91 -0.9587 -0.9444 1717097 Enamine_002519 Cc1cc(NC(=O)c2ccc(Cl)cc2)n(n1)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C12 compound treatment 0.382 -0.014 -0.52 0.381 -0.0141 -0.91 -1.0107 -0.9632 1251812 Enamine_002520 OC(=O)CC1(CC(=O)Nc2ccccc2O)CCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C13 compound treatment 0.393 -0.00303 -0.11 0.389 -0.00612 -0.4 -0.359 -0.872 1422955 Enamine_002521 OC(=O)C(Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C14 compound treatment 0.406 0.00997 0.37 0.41 0.0149 0.96 0.9395 0.9123 2061564 Enamine_002522 CC(Cc1ccco1)NC(=O)c2ccc(cc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C15 compound treatment 0.372 -0.024 -0.88 0.375 -0.0201 -1.3 -1.5449 -0.982 2061565 Enamine_002523 CC1CN(CC(C)O1)c2ccc(cn2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C16 compound treatment 0.39 -0.00603 -0.22 0.385 -0.0101 -0.66 -0.6199 -0.8963 1222589 Enamine_002524 CC(C)(C)NCC(C)(O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C17 compound treatment 0.449 0.053 1.95 0.443 0.0479 3.1 3.5661 0.9748 1552751 Enamine_002525 Fc1ccc(cc1)C(=O)COC(=O)c2ccccc2OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C18 compound treatment 0.391 -0.00503 -0.18 0.394 -0.00112 -0.07 -0.1821 -0.9171 1682590 Enamine_002526 OC(=O)CC1(CC(=O)Nc2cccc3cnccc23)CCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C19 compound treatment 0.385 -0.011 -0.41 0.381 -0.0141 -0.91 -0.9328 -0.933 1323459 Enamine_002527 OC(=O)COc1ccccc1Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C20 compound treatment 0.378 -0.018 -0.66 0.38 -0.0151 -0.98 -1.1603 -0.9819 2061566 Enamine_002528 CC(=O)N1CCN(CC1)C(=O)c2c(Cl)nc3sccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C21 compound treatment 0.378 -0.018 -0.66 0.378 -0.0171 -1.11 -1.2518 -0.9697 1357589 Enamine_002529 O=C(N(C1CCCCC1)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C22 compound treatment 0.378 -0.018 -0.66 0.38 -0.0151 -0.98 -1.1603 -0.9819 2061567 Enamine_002530 CC[n+]1c2CCCn2c3ccccc3c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C23 mock treatment 0.377 -0.019 -0.7 0.377 -0.0181 -1.17 -1.3235 -0.9694 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 C24 mock treatment 0.38 -0.016 -0.59 0.379 -0.0161 -1.04 -1.1541 -0.9633 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D01 compound treatment 0.402 0.00597 0.22 0.4 0.00488 0.32 0.3781 0.9842 1445899 Enamine_002531 Cc1cc(NS(=O)(=O)c2cccc(F)c2)n(n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D02 compound treatment 0.398 0.00197 0.07 0.398 0.00288 0.19 0.1827 0.9152 1639383 Enamine_002532 OC1(CC(=O)c2ccc(Br)s2)C(=O)N(Cc3ccccc3)c4ccccc41 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D03 compound treatment 0.401 0.00497 0.18 0.403 0.00788 0.51 0.4894 0.9041 1717085 Enamine_002533 CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCCC3)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D04 compound treatment 0.398 0.00197 0.07 0.397 0.00188 0.12 0.1369 0.9694 1244334 Enamine_002534 CC(O)CNC(=O)CC1(CC(=O)NCC(C)O)CCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D05 compound treatment 0.401 0.00497 0.18 0.401 0.00588 0.38 0.3978 0.9434 1227518 Enamine_002535 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)N2C(C)CCCC2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D06 compound treatment 0.399 0.00297 0.11 0.396 8.75E-4 0.06 0.1171 0.9534 1530279 Enamine_002536 OC(=O)c1ccccc1SCCC(=O)Nc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D07 compound treatment 0.405 0.00897 0.33 0.407 0.0119 0.77 0.7763 0.9285 1537183 Enamine_002537 CCC1CCCCN1C(=O)COC(=O)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D08 compound treatment 0.4 0.00397 0.15 0.402 0.00688 0.44 0.4176 0.8921 1345476 Enamine_002538 NC(=O)COC(=O)c1ccccc1C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D09 compound treatment 0.402 0.00597 0.22 0.399 0.00388 0.25 0.3323 0.9978 1662884 Enamine_002539 CN(C1CCCCC1)C(=O)COC(=O)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D10 compound treatment 0.381 -0.015 -0.55 0.381 -0.0141 -0.91 -1.0366 -0.9708 1322657 Enamine_002540 Oc1ccc(cc1)C(=O)OCC(=O)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D11 compound treatment 0.406 0.00997 0.37 0.402 0.00688 0.44 0.5734 0.9953 1596403 Enamine_002541 CC(Cc1cccs1)NC(=O)c2ccc(C)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D12 compound treatment 0.41 0.014 0.51 0.403 0.00788 0.51 0.7231 1.0 1123943 Enamine_002542 CC(Cc1cccs1)N(Cc2ccc(Cl)cc2)C(=O)c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D13 compound treatment 0.403 0.00697 0.26 0.404 0.00888 0.57 0.5871 0.9337 1132794 Enamine_002543 Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCc4ccccc34)c2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D14 compound treatment 0.442 0.046 1.69 0.442 0.0469 3.03 3.3386 0.9617 1137765 Enamine_002544 Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D15 compound treatment 0.391 -0.00503 -0.18 0.393 -0.00212 -0.14 -0.2279 -0.9894 1519685 Enamine_002545 O=C(COc1ncnc2ccccc12)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D16 compound treatment 0.399 0.00297 0.11 0.401 0.00588 0.38 0.3459 0.8746 1408786 Enamine_002546 COc1cccc(C(=O)N(C)C2(CCCCC2=O)c3ccccc3Cl)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D17 compound treatment 0.44 0.044 1.61 0.427 0.0319 2.06 2.6003 0.9927 1266992 Enamine_002547 O=C(Nc1ccc2cn[nH]c2c1)c3cc(=O)c4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D18 compound treatment 0.4 0.00397 0.15 0.402 0.00688 0.44 0.4176 0.8921 2061568 Enamine_002548 NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D19 compound treatment 0.394 -0.00203 -0.07 0.395 -1.25E-4 -0.01 -0.0585 -0.7792 1362563 Enamine_002549 Clc1ccccc1SCCC(=O)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D20 compound treatment 0.394 -0.00203 -0.07 0.396 8.75E-4 0.06 -0.0127 -0.1357 1482270 Enamine_002550 Cc1ccsc1C(=O)OCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D21 compound treatment 0.392 -0.00403 -0.15 0.393 -0.00212 -0.14 -0.2019 -0.9993 2061569 Enamine_002551 Fc1cccc(F)c1/N=C/c2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D22 compound treatment 0.398 0.00197 0.07 0.395 -1.25E-4 -0.01 0.0454 0.6241 2061570 Enamine_002552 CC(C)N(C(=O)CSc1ccc(C)cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D23 mock treatment 0.393 -0.00303 -0.11 0.397 0.00188 0.12 0.0071 0.043 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 D24 mock treatment 0.393 -0.00303 -0.11 0.39 -0.00512 -0.33 -0.3132 -0.8954 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E01 compound treatment 0.401 0.00497 0.18 0.401 0.00588 0.38 0.3978 0.9434 1589187 Enamine_002553 O=C(CSc1nc2ccccc2c(=O)n1c3ccccc3)NCCc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E02 compound treatment 0.408 0.012 0.44 0.406 0.0109 0.7 0.8084 0.9743 1314281 Enamine_002554 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NC3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E03 compound treatment 0.409 0.013 0.48 0.411 0.0159 1.03 1.0632 0.9389 1311939 Enamine_002555 Fc1ccc(cc1)c2cc(C(=O)NCc3ccncc3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E04 compound treatment 0.408 0.012 0.44 0.411 0.0159 1.03 1.0372 0.9282 1669452 Enamine_002556 Clc1nc2sccn2c1C(=O)Nc3cccc(C#N)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E05 compound treatment 0.396 -3.12E-5 0.0 0.396 8.75E-4 0.06 0.0392 0.6926 2061571 Enamine_002557 Cc1[nH]c2ccccc2c1/C=N/C3CCS(=O)(=O)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E06 compound treatment 0.408 0.012 0.44 0.411 0.0159 1.03 1.0372 0.9282 2061572 Enamine_002558 Cc1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(F)cc3)/C2=O)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E07 compound treatment 0.407 0.011 0.4 0.409 0.0139 0.9 0.9197 0.9346 1614277 Enamine_002559 CC(CN)NC(=O)c1cc(C)ccc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E08 compound treatment 0.417 0.021 0.77 0.415 0.0199 1.29 1.4539 0.9699 2061573 Enamine_002560 Clc1ccc(cc1)S(=O)(=O)/N=C/2\CCCCCN2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E09 compound treatment 0.406 0.00997 0.37 0.407 0.0119 0.77 0.8022 0.9425 1353643 Enamine_002561 CCOC(=O)C1CCCN(C1)C(=O)CSc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E10 compound treatment 0.403 0.00697 0.26 0.406 0.0109 0.7 0.6786 0.9062 1205936 Enamine_002562 CCCC(=O)n1nc(CCC)c2C(=O)CC(C)(C)Cc21 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E11 compound treatment 0.426 0.03 1.1 0.428 0.0329 2.13 2.2825 0.9529 2061574 Enamine_002563 Fc1ccccc1c2csc(n2)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E12 compound treatment 0.411 0.015 0.55 0.407 0.0119 0.77 0.9321 0.9865 1406400 Enamine_002564 CCN(Cc1ccncc1)C(=O)CC2(CC(=O)O)CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E13 compound treatment 0.406 0.00997 0.37 0.403 0.00788 0.51 0.6192 0.9868 1226396 Enamine_002565 Fc1ccc(NCC=C)c(N2CCCCCC2=O)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E14 compound treatment 0.397 9.69E-4 0.04 0.396 8.75E-4 0.06 0.0652 0.9749 1196085 Enamine_002566 CC1CN(CC(C)O1)C(=O)c2cc(nc3ccccc23)c4ccc(C)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E15 compound treatment 0.405 0.00897 0.33 0.405 0.00988 0.64 0.6847 0.9525 2061575 Enamine_002567 COC(=O)CCSc1ncc(cc1Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E16 compound treatment 0.398 0.00197 0.07 0.395 -1.25E-4 -0.01 0.0454 0.6241 1210836 Enamine_002568 CC(O)(CN1CCOCC1)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E17 compound treatment 0.404 0.00797 0.29 0.404 0.00888 0.57 0.613 0.9511 1428876 Enamine_002569 Fc1cc(Cl)c(cc1F)C(=O)OCC(=O)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E18 compound treatment 0.407 0.011 0.4 0.405 0.00988 0.64 0.7367 0.9752 1290174 Enamine_002570 O=C(Nc1ccncc1)c2cc3CCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E19 compound treatment 0.388 -0.00803 -0.29 0.39 -0.00512 -0.33 -0.4431 -0.9983 1230478 Enamine_002571 NCc1nc2ccccn2c1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E20 compound treatment 0.394 -0.00203 -0.07 0.394 -0.00112 -0.07 -0.1042 -0.9999 2061576 Enamine_002572 FC(F)(F)c1ccc(NC(=O)CC#N)c(c1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E21 compound treatment 0.396 -3.12E-5 0.0 0.394 -0.00112 -0.07 -0.0523 -0.7182 2061577 Enamine_002573 C(Sc1ccccc1)c2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E22 compound treatment 0.398 0.00197 0.07 0.396 8.75E-4 0.06 0.0912 0.9927 2061578 Enamine_002574 C[N+](C)(Cc1ccc(Cl)cc1)NCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E23 mock treatment 0.393 -0.00303 -0.11 0.39 -0.00512 -0.33 -0.3132 -0.8954 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 E24 mock treatment 0.4 0.00397 0.15 0.4 0.00488 0.32 0.3261 0.9385 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F01 compound treatment 0.407 0.011 0.4 0.405 0.00988 0.64 0.7367 0.9752 1337114 Enamine_002575 OCCN1CCN(CC1)C(=O)c2cc3CCCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F02 compound treatment 0.401 0.00497 0.18 0.407 0.0119 0.77 0.6724 0.8513 2061579 Enamine_002576 Cc1ccc(cc1)N2C(c3ccccc3)C(F)(F)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F03 compound treatment 0.412 0.016 0.59 0.407 0.0119 0.77 0.958 0.9911 1714512 Enamine_002577 Cc1cc(OCC(=O)NC2CC2)c3c4CCCc4c(=O)oc3c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F04 compound treatment 0.394 -0.00203 -0.07 0.395 -1.25E-4 -0.01 -0.0585 -0.7792 1320197 Enamine_002578 CCOc1ccc(Br)cc1S(=O)(=O)Nc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F05 compound treatment 0.491 0.095 3.49 0.497 0.102 6.59 7.1276 0.9557 1635061 Enamine_002579 NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2I)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F06 compound treatment 0.415 0.019 0.7 0.427 0.0319 2.06 1.9511 0.8962 2061580 Enamine_002580 Oc1ccc2ccccc2c1/C=N/c3c(F)c(F)c(F)c(F)c3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F07 compound treatment 0.415 0.019 0.7 0.412 0.0169 1.09 1.2647 0.9764 1538529 Enamine_002581 CN(C(=O)CSC1=NCCS1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F08 compound treatment 0.426 0.03 1.1 0.433 0.0379 2.45 2.5113 0.9347 1720309 Enamine_002582 Clc1cccc(Cl)c1COC(=O)c2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F09 compound treatment 0.4 0.00397 0.15 0.403 0.00788 0.51 0.4634 0.8743 1148538 Enamine_002583 O=C(COC(=O)c1ccccn1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F10 compound treatment 0.473 0.077 2.83 0.467 0.0719 4.65 5.2875 0.9715 1448701 Enamine_002584 Fc1ccc(cc1)C(=O)OCC(=O)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F11 compound treatment 0.463 0.067 2.46 0.464 0.0689 4.46 4.8905 0.9607 2061581 Enamine_002585 CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F12 compound treatment 0.408 0.012 0.44 0.405 0.00988 0.64 0.7626 0.9833 2061582 Enamine_002586 Cn1ccnc1SCc2csc(n2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F13 compound treatment 0.417 0.021 0.77 0.413 0.0179 1.16 1.3624 0.9804 1394088 Enamine_002587 CC1Cc2ccccc2N1C(=O)CSc3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F14 compound treatment 0.409 0.013 0.48 0.413 0.0179 1.16 1.1547 0.9231 1441572 Enamine_002588 O=C(CSc1nc2ccccc2o1)NCC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F15 compound treatment 0.407 0.011 0.4 0.405 0.00988 0.64 0.7367 0.9752 2061583 Enamine_002589 Cc1cc(/N=C/c2c[nH]c3ccccc23)ccc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F16 compound treatment 0.414 0.018 0.66 0.412 0.0169 1.09 1.2388 0.9709 1132922 Enamine_002590 COc1ccc(C)cc1NC(=O)c2c(Cl)nc3sccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F17 compound treatment 0.413 0.017 0.62 0.415 0.0199 1.29 1.3501 0.9447 1227029 Enamine_002591 COc1ccccc1N(CCC#N)C(=O)c2cncc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F18 compound treatment 0.42 0.024 0.88 0.422 0.0269 1.74 1.8521 0.9502 2061584 Enamine_002592 FC(F)(F)c1cc(NC(=O)COC(=O)c2ccc3ccccc3n2)ccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F19 compound treatment 0.413 0.017 0.62 0.41 0.0149 0.96 1.1213 0.9778 1616693 Enamine_002593 Cc1ccc(SCCC(=O)NCCc2ccc(F)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F20 compound treatment 0.406 0.00997 0.37 0.407 0.0119 0.77 0.8022 0.9425 1495700 Enamine_002594 CC1CCN(CC1)C(=O)COC(=O)c2ccccc2C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F21 compound treatment 0.463 0.067 2.46 0.475 0.0799 5.17 5.3939 0.9423 2061585 Enamine_002595 Clc1ccc(/N=C/c2cccs2)c(c1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F22 compound treatment 0.402 0.00597 0.22 0.403 0.00788 0.51 0.5153 0.929 1334570 Enamine_002596 Cn1cnnc1SCC(=O)N2CC3(C)CC2CC(C)(C)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F23 mock treatment 0.405 0.00897 0.33 0.409 0.0139 0.9 0.8678 0.9074 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 F24 mock treatment 0.405 0.00897 0.33 0.402 0.00688 0.44 0.5475 0.989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G01 compound treatment 0.398 0.00197 0.07 0.397 0.00188 0.12 0.1369 0.9694 2061586 Enamine_002597 COc1ccc(/C=C/C(=O)NCc2ccco2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G02 compound treatment 0.404 0.00797 0.29 0.402 0.00688 0.44 0.5215 0.9793 1679518 Enamine_002598 NC(=O)C1CCN(CC1)C(=O)CC2(CC(=O)O)CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G03 compound treatment 0.418 0.022 0.81 0.414 0.0189 1.22 1.4341 0.9797 2061587 Enamine_002599 COc1ccc(cc1)c2cc(C(=O)NCCCn3ccnc3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G04 compound treatment 0.407 0.011 0.4 0.404 0.00888 0.57 0.6909 0.9849 2061588 Enamine_002600 CC1CCN(CC1)C(=O)/C=C/c2c(Cl)nc3sccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G05 compound treatment 0.398 0.00197 0.07 0.398 0.00288 0.19 0.1827 0.9152 2061589 Enamine_002601 Cc1c(/C=N/c2ccc3OCCOc3c2)c4ccccc4n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G06 compound treatment 0.402 0.00597 0.22 0.404 0.00888 0.57 0.5611 0.9128 1697425 Enamine_002602 NC(=O)C1CCN(CC1)C(=O)c2c(F)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G07 compound treatment 0.4 0.00397 0.15 0.399 0.00388 0.25 0.2804 0.9667 1595989 Enamine_002603 O=C(COC(=O)C1CCC1)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G08 compound treatment 0.41 0.014 0.51 0.415 0.0199 1.29 1.2722 0.9187 2061590 Enamine_002604 O=S(=O)(/N=C/1\CCCCCN1)c2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G09 compound treatment 0.4 0.00397 0.15 0.397 0.00188 0.12 0.1889 0.9959 2061591 Enamine_002605 CCOC1CCCCC1NS(=O)(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G10 compound treatment 0.401 0.00497 0.18 0.399 0.00388 0.25 0.3063 0.9878 1544253 Enamine_002606 CC1(C)CC(=O)c2c(Cc3ccccc3)noc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G11 compound treatment 0.395 -0.00103 -0.04 0.396 8.75E-4 0.06 0.0133 0.1947 1139383 Enamine_002607 Fc1cc(C(=O)N2CCN(CC2)C(=O)c3ccco3)c(F)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G12 compound treatment 0.405 0.00897 0.33 0.406 0.0109 0.7 0.7305 0.9402 1130902 Enamine_002608 CN(CCc1ccccn1)C(=O)CC2(CC(=O)O)CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G13 compound treatment 0.402 0.00597 0.22 0.401 0.00588 0.38 0.4238 0.9658 2061592 Enamine_002609 C/C(=C/C(=O)Nc1cccc(c1)C(F)(F)F)/O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G14 compound treatment 0.448 0.052 1.91 0.451 0.0559 3.62 3.9062 0.9554 1420666 Enamine_002610 O=C(COc1ccc(cc1)c2ccccc2)Nc3ncccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G15 compound treatment 0.399 0.00297 0.11 0.394 -0.00112 -0.07 0.0256 0.1954 1260228 Enamine_002611 CC1Cc2ccccc2N1C(=O)COc3ccc4c(C)cc(=O)oc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G16 compound treatment 0.402 0.00597 0.22 0.399 0.00388 0.25 0.3323 0.9978 1730813 Enamine_002612 CC(O)(CNC1(CC2CC3CC(C2)C1)C3)c4ccc(Cl)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G17 compound treatment 0.406 0.00997 0.37 0.406 0.0109 0.7 0.7565 0.9536 1689105 Enamine_002613 O=C(CSC(=O)c1ccccc1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G18 compound treatment 0.408 0.012 0.44 0.411 0.0159 1.03 1.0372 0.9282 1441071 Enamine_002614 O=C(N1CCc2ccccc12)c3cc4CCCc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G19 compound treatment 0.397 9.69E-4 0.04 0.401 0.00588 0.38 0.294 0.7699 1114482 Enamine_002615 CCc1ccccc1OCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G20 compound treatment 0.395 -0.00103 -0.04 0.391 -0.00412 -0.27 -0.2155 -0.7994 2061593 Enamine_002616 O=C1CS/C(=C/2\CCCC2=O)/N1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G21 compound treatment 0.396 -3.12E-5 0.0 0.392 -0.00312 -0.2 -0.1438 -0.7111 1569368 Enamine_002617 CC(C)c1ccccc1NC(=O)CC2(CC(=O)O)CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G22 compound treatment 0.395 -0.00103 -0.04 0.393 -0.00212 -0.14 -0.124 -0.8695 1274461 Enamine_002618 CC(=C)CC1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G23 mock treatment 0.391 -0.00503 -0.18 0.395 -1.25E-4 -0.01 -0.1364 -0.7374 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 G24 mock treatment 0.394 -0.00203 -0.07 0.397 0.00188 0.12 0.0331 0.2321 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H01 compound treatment 0.415 0.019 0.7 0.415 0.0199 1.29 1.402 0.9585 2061594 Enamine_002619 Fc1ccc(NC(=O)COC(=O)c2ccccc2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H02 compound treatment 0.41 0.014 0.51 0.411 0.0159 1.03 1.0891 0.9485 1164430 Enamine_002620 COc1cccc(NC(=O)c2c(Cl)nc3sccn23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H03 compound treatment 0.397 9.69E-4 0.04 0.4 0.00488 0.32 0.2482 0.7819 2061595 Enamine_002621 Fc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H04 compound treatment 0.4 0.00397 0.15 0.397 0.00188 0.12 0.1889 0.9959 2061596 Enamine_002622 Brc1ccc(SCC(=O)N2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H05 compound treatment 0.402 0.00597 0.22 0.399 0.00388 0.25 0.3323 0.9978 1228911 Enamine_002623 CC1CCCC(C)N1C(=O)COC(=O)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H06 compound treatment 0.454 0.058 2.13 0.462 0.0669 4.33 4.5653 0.9466 1619940 Enamine_002624 CC(C)Nc1nc(nc2ccccc12)c3ccccc3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H07 compound treatment 0.404 0.00797 0.29 0.404 0.00888 0.57 0.613 0.9511 1635453 Enamine_002625 O=C(CSC1=NCCS1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H08 compound treatment 0.401 0.00497 0.18 0.399 0.00388 0.25 0.3063 0.9878 1642158 Enamine_002626 NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H09 compound treatment 0.4 0.00397 0.15 0.404 0.00888 0.57 0.5092 0.8593 1396857 Enamine_002627 O=C(COC(=O)C1CCCCC1)Nc2ccc(cc2)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H10 compound treatment 0.367 -0.029 -1.07 0.368 -0.0271 -1.76 -1.995 -0.9714 1406467 Enamine_002628 Oc1cccc(c1)C(=O)OC(C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H11 compound treatment 0.422 0.026 0.95 0.418 0.0229 1.48 1.721 0.9774 1524629 Enamine_002629 O=C(NCCc1ccccc1)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H12 compound treatment 0.419 0.023 0.84 0.416 0.0209 1.35 1.5516 0.9743 1269025 Enamine_002630 O=C(NCc1ccco1)c2cc(nc3ccccc23)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H13 compound treatment 0.418 0.022 0.81 0.416 0.0209 1.35 1.5257 0.9696 1693737 Enamine_002631 O=C(COC(=O)c1n[nH]c2ccccc12)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H14 compound treatment 0.4 0.00397 0.15 0.399 0.00388 0.25 0.2804 0.9667 2061597 Enamine_002632 Clc1ccc(Cl)c(NC(=O)CSc2nnc[nH]2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H15 compound treatment 0.405 0.00897 0.33 0.402 0.00688 0.44 0.5475 0.989 2061598 Enamine_002633 Fc1cc(Br)ccc1/N=C/c2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H16 compound treatment 0.435 0.039 1.43 0.419 0.0239 1.54 2.1044 0.9993 1515032 Enamine_002634 NC(=O)c1ccccc1NC(=O)c2c(Cl)nc3sccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H17 compound treatment 0.417 0.021 0.77 0.413 0.0179 1.16 1.3624 0.9804 2061599 Enamine_002635 CCCCn1ccnc1C(=O)c2cc(F)c(F)c(F)c2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H18 compound treatment 0.392 -0.00403 -0.15 0.392 -0.00312 -0.2 -0.2477 -0.9882 1615195 Enamine_002636 Clc1ccc(C#N)c(NC(=O)COC(=O)C2CC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H19 compound treatment 0.407 0.011 0.4 0.405 0.00988 0.64 0.7367 0.9752 2061600 Enamine_002637 Cc1nn(c(Cl)c1/C=N/c2cccc(C#N)c2)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H20 compound treatment 0.433 0.037 1.36 0.438 0.0429 2.77 2.9218 0.9459 1545823 Enamine_002638 Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccc(F)cc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H21 compound treatment 0.462 0.066 2.42 0.459 0.0639 4.13 4.6358 0.9676 2061601 Enamine_002639 Clc1ccc(/N=C/c2ccsc2)c(c1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H22 compound treatment 0.398 0.00197 0.07 0.394 -0.00112 -0.07 -4.0E-4 -0.0035 2061602 Enamine_002640 CC(C)N(C(=O)CSc1ccccc1Cl)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H23 mock treatment 0.401 0.00497 0.18 0.394 -0.00112 -0.07 0.0775 0.3947 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 H24 mock treatment 0.405 0.00897 0.33 0.4 0.00488 0.32 0.456 0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I01 compound treatment 0.402 0.00597 0.22 0.407 0.0119 0.77 0.6984 0.8739 2061603 Enamine_002641 CC(C)(C)c1c[n+](c2SCCCn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I02 compound treatment 0.42 0.024 0.88 0.419 0.0239 1.54 1.7149 0.9644 1399188 Enamine_002642 O=C(NCCc1c[nH]c2ccccc12)c3cc4CCCc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I03 compound treatment 0.408 0.012 0.44 0.406 0.0109 0.7 0.8084 0.9743 1310495 Enamine_002643 Cc1nc2sccn2c1C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I04 compound treatment 0.396 -3.12E-5 0.0 0.396 8.75E-4 0.06 0.0392 0.6926 2061604 Enamine_002644 CC(C)(C)OC(=O)/C=C/c1c(Cl)nc2sccn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I05 compound treatment 0.406 0.00997 0.37 0.405 0.00988 0.64 0.7107 0.965 2061605 Enamine_002645 Cn1cccc1/C=N/c2ccc(cc2)S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I06 compound treatment 0.405 0.00897 0.33 0.408 0.0129 0.83 0.822 0.9175 1608668 Enamine_002646 CCN(Cc1ccncc1)C(=O)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I07 compound treatment 0.406 0.00997 0.37 0.406 0.0109 0.7 0.7565 0.9536 1683728 Enamine_002647 CCN(C(=O)CSc1nc2ccccc2o1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I08 compound treatment 0.414 0.018 0.66 0.413 0.0179 1.16 1.2845 0.9646 2061606 Enamine_002648 CSc1ccc2n3CCCCCc3nc(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I09 compound treatment 0.414 0.018 0.66 0.412 0.0169 1.09 1.2388 0.9709 2061607 Enamine_002649 C=CCN(CC=C)C(=O)CSc1ccc2ccccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I10 compound treatment 0.432 0.036 1.32 0.428 0.0329 2.13 2.4383 0.9737 2061608 Enamine_002650 CCCc1n[nH]c2CC(C/C(=N/O)/c12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I11 compound treatment 0.407 0.011 0.4 0.405 0.00988 0.64 0.7367 0.9752 1566617 Enamine_002651 Cc1n[nH]c2NC3=C(C(c12)c4ccc(C)cc4)C(=O)CC(C)(C)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I12 compound treatment 0.409 0.013 0.48 0.407 0.0119 0.77 0.8801 0.9735 1140249 Enamine_002652 OC(=O)CC1(CC(=O)N2CCC(Cc3ccccc3)CC2)CCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I13 compound treatment 0.412 0.016 0.59 0.405 0.00988 0.64 0.8665 0.9991 1418094 Enamine_002653 CCOc1ccc(NC(=O)C)cc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I14 compound treatment 0.406 0.00997 0.37 0.404 0.00888 0.57 0.665 0.9763 1391678 Enamine_002654 CN(C1CCCCC1)C(=O)CC2(CC(=O)O)CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I15 compound treatment 0.398 0.00197 0.07 0.395 -1.25E-4 -0.01 0.0454 0.6241 2061609 Enamine_002655 N#CC(Cc1ccccc1)Sc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I16 compound treatment 0.405 0.00897 0.33 0.395 -1.25E-4 -0.01 0.2272 0.6895 1738785 Enamine_002656 OCC(Cc1ccccc1)(C#N)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I17 compound treatment 0.415 0.019 0.7 0.418 0.0229 1.48 1.5393 0.9409 1591617 Enamine_002657 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I18 compound treatment 0.423 0.027 0.99 0.422 0.0269 1.74 1.93 0.9644 1708500 Enamine_002658 CCOC(=O)c1ccc(NC(=O)c2cc3CCCc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I19 compound treatment 0.401 0.00497 0.18 0.41 0.0149 0.96 0.8097 0.8264 1731336 Enamine_002659 COc1ccccc1NC(=O)c2cc(O)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I20 compound treatment 0.404 0.00797 0.29 0.4 0.00488 0.32 0.43 0.9993 2061610 Enamine_002660 CC(=O)Nc1ccc(cc1)C(=O)C[n+]2c3CCCCCn3c4c(F)c(F)ccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I21 compound treatment 0.446 0.05 1.83 0.489 0.0939 6.07 5.5931 0.8814 1431938 Enamine_002661 NC(=O)c1ccc(NC(=O)c2cc3CCCc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I22 compound treatment 0.412 0.016 0.59 0.415 0.0199 1.29 1.3241 0.9367 1494026 Enamine_002662 CC1CCCCN1c2nc(nc3ccccc23)c4ccccc4O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I23 mock treatment 0.401 0.00497 0.18 0.402 0.00688 0.44 0.4436 0.9225 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 I24 mock treatment 0.408 0.012 0.44 0.404 0.00888 0.57 0.7169 0.9913 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J01 compound treatment 0.416 0.02 0.73 0.417 0.0219 1.42 1.5195 0.9531 2061611 Enamine_002663 Brc1ccccc1/C=N/c2cccc3cnccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J02 compound treatment 0.395 -0.00103 -0.04 0.397 0.00188 0.12 0.059 0.4643 1305087 Enamine_002664 CCOc1ccccc1N2CCN(CC2)C(=O)c3cc4CCCc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J03 compound treatment 0.404 0.00797 0.29 0.408 0.0129 0.83 0.7961 0.9015 1539890 Enamine_002665 Clc1cc2c(cc(=O)oc2cc1OCC(=O)NC3CC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J04 compound treatment 0.398 0.00197 0.07 0.396 8.75E-4 0.06 0.0912 0.9927 1284235 Enamine_002666 CCc1nc2ccccc2n1C(=O)CCCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J05 compound treatment 0.398 0.00197 0.07 0.399 0.00388 0.25 0.2284 0.8753 1323515 Enamine_002667 CC1CCCC(C)N1C(=O)COC(=O)c2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J06 compound treatment 0.399 0.00297 0.11 0.399 0.00388 0.25 0.2544 0.9304 1695047 Enamine_002668 CN(C(=O)C(C)(C)C)c1ccc(OCC(=O)N2CCCc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J07 compound treatment 0.402 0.00597 0.22 0.4 0.00488 0.32 0.3781 0.9842 1456719 Enamine_002669 CC1CCCC(C)N1C(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J08 compound treatment 0.4 0.00397 0.15 0.404 0.00888 0.57 0.5092 0.8593 2061612 Enamine_002670 Cc1ccsc1/C=N/c2c(F)c(F)c(F)c(F)c2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J09 compound treatment 0.428 0.032 1.17 0.432 0.0369 2.39 2.5174 0.9466 2061613 Enamine_002671 Cc1ccc(s1)C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J10 compound treatment 0.394 -0.00203 -0.07 0.392 -0.00312 -0.2 -0.1957 -0.9081 2061614 Enamine_002672 COC(=O)c1ccc(COC(=O)c2ccccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J11 compound treatment 0.394 -0.00203 -0.07 0.395 -1.25E-4 -0.01 -0.0585 -0.7792 1636862 Enamine_002673 O=C(COc1ccc(Oc2ccccc2)cc1)NCc3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J12 compound treatment 0.397 9.69E-4 0.04 0.397 0.00188 0.12 0.111 0.8775 1421088 Enamine_002674 COc1ccc(NC(=O)c2ccccc2I)cn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J13 compound treatment 0.401 0.00497 0.18 0.401 0.00588 0.38 0.3978 0.9434 1595283 Enamine_002675 Clc1c(sc2ccccc12)C(=O)OCC(=O)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J14 compound treatment 0.395 -0.00103 -0.04 0.395 -1.25E-4 -0.01 -0.0325 -0.8392 1159808 Enamine_002676 Clc1ccc(C(=O)COC(=O)c2ccccn2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J15 compound treatment 0.397 9.69E-4 0.04 0.396 8.75E-4 0.06 0.0652 0.9749 2061615 Enamine_002677 Fc1ccc(/N=C/c2ccc(OC(=O)c3cccnc3)cc2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J16 compound treatment 0.392 -0.00403 -0.15 0.394 -0.00112 -0.07 -0.1562 -0.9466 2061616 Enamine_002678 CCOCC(=O)Nc1cc(Cl)c(NC(=O)COCC)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J17 compound treatment 0.407 0.011 0.4 0.406 0.0109 0.7 0.7824 0.9649 2061617 Enamine_002679 Ic1ccc(cc1)C(=O)N(CC=C)CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J18 compound treatment 0.398 0.00197 0.07 0.395 -1.25E-4 -0.01 0.0454 0.6241 1220836 Enamine_002680 COc1ccc(cc1)C(=O)OCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J19 compound treatment 0.397 9.69E-4 0.04 0.402 0.00688 0.44 0.3397 0.7612 2061618 Enamine_002681 Clc1ccc(C#N)c(/N=C/c2cccs2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J20 compound treatment 0.436 0.04 1.47 0.451 0.0559 3.62 3.5946 0.9211 1280847 Enamine_002682 Clc1ccc(cc1)C(=O)OCC(=O)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J21 compound treatment 0.399 0.00297 0.11 0.395 -1.25E-4 -0.01 0.0714 0.6528 1598340 Enamine_002683 CCCN(CCC)C(=O)c1cccc(c1)S(=O)(=O)N2CC(C)CC(C)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J22 compound treatment 0.395 -0.00103 -0.04 0.395 -1.25E-4 -0.01 -0.0325 -0.8392 2061619 Enamine_002684 CC(C)N(C(=O)CSc1ccc(Br)cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J23 mock treatment 0.394 -0.00203 -0.07 0.393 -0.00212 -0.14 -0.15 -0.9587 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 J24 mock treatment 0.398 0.00197 0.07 0.394 -0.00112 -0.07 -4.0E-4 -0.0035 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K01 compound treatment 0.404 0.00797 0.29 0.396 8.75E-4 0.06 0.247 0.8286 1429711 Enamine_002685 O=C(CSc1nc2ccccc2s1)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K02 compound treatment 0.41 0.014 0.51 0.409 0.0139 0.9 0.9976 0.9647 2061620 Enamine_002686 Nc1scc[n+]1CC(=O)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K03 compound treatment 0.402 0.00597 0.22 0.4 0.00488 0.32 0.3781 0.9842 2061621 Enamine_002687 N/C(=N/O)/c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K04 compound treatment 0.413 0.017 0.62 0.41 0.0149 0.96 1.1213 0.9778 2061622 Enamine_002688 Fc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K05 compound treatment 0.406 0.00997 0.37 0.405 0.00988 0.64 0.7107 0.965 1637010 Enamine_002689 O=C(CSc1ccc2ccccc2c1)N3CCN(CC3)C(=O)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K06 compound treatment 0.416 0.02 0.73 0.411 0.0159 1.03 1.2449 0.9863 2061623 Enamine_002690 O=C(NCCCn1ccnc1)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K07 compound treatment 0.39 -0.00603 -0.22 0.392 -0.00312 -0.2 -0.2996 -0.999 1546109 Enamine_002691 CN(C1CCN(C)CC1)C(=O)COc2ccc(cc2)N(C)C(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K08 compound treatment 0.463 0.067 2.46 0.455 0.0599 3.87 4.4787 0.9759 1730492 Enamine_002692 O=C(COc1ccc2oc3CCCCc3c2c1)Nc4ccncc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K09 compound treatment 0.478 0.082 3.01 0.469 0.0739 4.78 5.5088 0.9751 1316022 Enamine_002693 CCN(Cc1ccncc1)C(=O)c2cc3c(C)nn(c4ccc(Cl)cc4)c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K10 compound treatment 0.438 0.042 1.54 0.43 0.0349 2.26 2.6856 0.9827 1479397 Enamine_002694 NC(=O)c1ccccc1NC(=O)COc2ccc3oc4CCCCc4c3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K11 compound treatment 0.405 0.00897 0.33 0.407 0.0119 0.77 0.7763 0.9285 2061624 Enamine_002695 OC(=O)CSc1ccccc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K12 compound treatment 0.401 0.00497 0.18 0.397 0.00188 0.12 0.2148 0.9804 1605640 Enamine_002696 CCOc1ccc2n(Cc3ccc(Cl)cc3)c(=N)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K13 compound treatment 0.389 -0.00703 -0.26 0.392 -0.00312 -0.2 -0.3256 -0.9927 2061625 Enamine_002697 CCN1CCN(CC1)C(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K14 compound treatment 0.415 0.019 0.7 0.404 0.00888 0.57 0.8987 0.9954 2061626 Enamine_002698 NC(=NS(=O)(=O)c1ccccc1)c2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K15 compound treatment 0.401 0.00497 0.18 0.399 0.00388 0.25 0.3063 0.9878 1501131 Enamine_002699 CC1CCCC(C)N1C(=O)COC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K16 compound treatment 0.397 9.69E-4 0.04 0.399 0.00388 0.25 0.2025 0.7994 1576664 Enamine_002700 Clc1ccc(Cl)c(SCC(=O)NCCN2CCOCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K17 compound treatment 0.397 9.69E-4 0.04 0.401 0.00588 0.38 0.294 0.7699 1726414 Enamine_002701 Fc1ccc(cc1)C2(CCCC2)C(=O)OCC(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K18 compound treatment 0.416 0.02 0.73 0.421 0.0259 1.67 1.7025 0.9314 2061627 Enamine_002702 c1csc(c1)c2csc(n2)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K19 compound treatment 0.394 -0.00203 -0.07 0.397 0.00188 0.12 0.0331 0.2321 1564206 Enamine_002703 CCOC(=O)c1c(C)n(C)c2ccc(OCCN(C)C)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K20 compound treatment 0.39 -0.00603 -0.22 0.39 -0.00512 -0.33 -0.3911 -0.9807 2061628 Enamine_002704 COc1ccc(cc1)C(=O)C[n+]2nc(CNc3ccc(Br)cc3)n4CCCCCc42 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K21 compound treatment 0.399 0.00297 0.11 0.394 -0.00112 -0.07 0.0256 0.1954 2061629 Enamine_002705 CC(C)NC(=O)c1cc2CCCc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K22 compound treatment 0.4 0.00397 0.15 0.399 0.00388 0.25 0.2804 0.9667 1410601 Enamine_002706 Fc1ccccc1OCC(=O)OCCN2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K23 mock treatment 0.395 -0.00103 -0.04 0.395 -1.25E-4 -0.01 -0.0325 -0.8392 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 K24 mock treatment 0.4 0.00397 0.15 0.396 8.75E-4 0.06 0.1431 0.9152 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L01 compound treatment 0.41 0.014 0.51 0.404 0.00888 0.57 0.7688 0.9984 1673302 Enamine_002707 O=C(COC(=O)c1ccco1)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L02 compound treatment 0.405 0.00897 0.33 0.404 0.00888 0.57 0.639 0.9652 1234414 Enamine_002708 Cc1csc(NC(=O)c2cc3CCCc3s2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L03 compound treatment 0.414 0.018 0.66 0.412 0.0169 1.09 1.2388 0.9709 1466667 Enamine_002709 Clc1ccccc1C(=O)COc2ccc3ccc(=O)oc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L04 compound treatment 0.406 0.00997 0.37 0.402 0.00688 0.44 0.5734 0.9953 1164125 Enamine_002710 CC1CCCC(NC(=O)CSc2nccn2C)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L05 compound treatment 0.411 0.015 0.55 0.409 0.0139 0.9 1.0236 0.9723 2061630 Enamine_002711 O=C(CSc1ncccn1)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L06 compound treatment 0.434 0.038 1.39 0.431 0.0359 2.32 2.6275 0.9702 2061631 Enamine_002712 Clc1ncccc1C(=O)On2c(cc3ccccc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L07 compound treatment 0.439 0.043 1.58 0.433 0.0379 2.45 2.8488 0.9773 2061632 Enamine_002713 COC(=O)c1ccc(COC(=O)c2ccc(I)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L08 compound treatment 0.405 0.00897 0.33 0.405 0.00988 0.64 0.6847 0.9525 1322644 Enamine_002714 O=C(COC(=O)c1ccncc1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L09 compound treatment 0.409 0.013 0.48 0.408 0.0129 0.83 0.9259 0.9648 1185945 Enamine_002715 Cn1ccnc1SCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L10 compound treatment 0.385 -0.011 -0.41 0.392 -0.00312 -0.2 -0.4294 -0.9485 1320192 Enamine_002716 CC(Cc1ccccc1)NCc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L11 compound treatment 0.414 0.018 0.66 0.412 0.0169 1.09 1.2388 0.9709 1197381 Enamine_002717 Cc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NC3CC3)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L12 compound treatment 0.399 0.00297 0.11 0.4 0.00488 0.32 0.3002 0.8993 1646416 Enamine_002718 Fc1cc(C(=O)N2C(=O)c3ccccc3S2(=O)=O)c(F)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L13 compound treatment 0.422 0.026 0.95 0.425 0.0299 1.93 2.0413 0.947 1743101 Enamine_002719 CC1CCCC(NC(=O)COC(=O)CCc2ccccc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L14 compound treatment 0.397 9.69E-4 0.04 0.396 8.75E-4 0.06 0.0652 0.9749 1440833 Enamine_002720 Fc1cc(Br)ccc1NC(=O)COC(=O)CC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L15 compound treatment 0.404 0.00797 0.29 0.414 0.0189 1.22 1.0706 0.8524 2061633 Enamine_002721 FC(F)(F)c1ccc(/N=C/c2cccs2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L16 compound treatment 0.397 9.69E-4 0.04 0.395 -1.25E-4 -0.01 0.0194 0.5327 1537366 Enamine_002722 OC(=O)c1ccccc1SCc2cn3cc(Br)ccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L17 compound treatment 0.42 0.024 0.88 0.413 0.0179 1.16 1.4403 0.9909 2061634 Enamine_002723 CC(C)CCN1C(=O)C(O)(CC(=O)c2cccc(c2)C(F)(F)F)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L18 compound treatment 0.404 0.00797 0.29 0.406 0.0109 0.7 0.7045 0.9244 1401005 Enamine_002724 Brc1cncc(c1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L19 compound treatment 0.41 0.014 0.51 0.406 0.0109 0.7 0.8603 0.9879 1148959 Enamine_002725 Brc1ccc(CC(=O)OCC(=O)Nc2ccccc2C#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L20 compound treatment 0.405 0.00897 0.33 0.407 0.0119 0.77 0.7763 0.9285 1252900 Enamine_002726 CC1CC1C(=O)OCC(=O)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L21 compound treatment 0.399 0.00297 0.11 0.404 0.00888 0.57 0.4832 0.8266 1439941 Enamine_002727 Cc1cc(NC(=O)c2c(F)cccc2Cl)no1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L22 compound treatment 0.4 0.00397 0.15 0.398 0.00288 0.19 0.2346 0.9927 2061635 Enamine_002728 CCC1CCCCN1C(=O)CSc2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L23 mock treatment 0.4 0.00397 0.15 0.399 0.00388 0.25 0.2804 0.9667 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 L24 mock treatment 0.398 0.00197 0.07 0.396 8.75E-4 0.06 0.0912 0.9927 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M01 compound treatment 0.396 -3.12E-5 0.0 0.397 0.00188 0.12 0.085 0.7004 1276186 Enamine_002729 Fc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M02 compound treatment 0.403 0.00697 0.26 0.402 0.00688 0.44 0.4955 0.9655 1173898 Enamine_002730 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M03 compound treatment 0.4 0.00397 0.15 0.396 8.75E-4 0.06 0.1431 0.9152 2061636 Enamine_002731 C(=N/c1cccnc1)\c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M04 compound treatment 0.409 0.013 0.48 0.407 0.0119 0.77 0.8801 0.9735 2061637 Enamine_002732 CC(C)CCN1C(=O)C(O)(c2c(C)nn(c2N)c3ccc(C)cc3)c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M05 compound treatment 0.419 0.023 0.84 0.414 0.0189 1.22 1.4601 0.9837 2061638 Enamine_002733 COc1ccc(Cl)cc1NC(=O)/C=C/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M06 compound treatment 0.409 0.013 0.48 0.41 0.0149 0.96 1.0174 0.9473 1682618 Enamine_002734 O=C(CC(C1CCCCC1=O)c2ccco2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M07 compound treatment 0.446 0.05 1.83 0.457 0.0619 4.0 4.1288 0.9374 1364874 Enamine_002735 O=C(COc1cccc(Oc2ccccc2)c1)N3CCN(CC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M08 compound treatment 0.422 0.026 0.95 0.425 0.0299 1.93 2.0413 0.947 1669032 Enamine_002736 O=C(COc1ccc2oc3CCCCc3c2c1)Nc4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M09 compound treatment 0.398 0.00197 0.07 0.403 0.00788 0.51 0.4115 0.7994 2061639 Enamine_002737 CC1CCCCN1C(=O)c2ccc(F)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M10 compound treatment 0.396 -3.12E-5 0.0 0.398 0.00288 0.19 0.1307 0.7027 1686069 Enamine_002738 CCc1nn(C(=O)c2ccccc2)c3CC(C)(C)CC(=O)c13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M11 compound treatment 0.4 0.00397 0.15 0.399 0.00388 0.25 0.2804 0.9667 1668674 Enamine_002739 CC(C(O)c1ccccc1)N(C)S(=O)(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M12 compound treatment 0.385 -0.011 -0.41 0.385 -0.0101 -0.66 -0.7497 -0.9733 2061640 Enamine_002740 Nc1scc[n+]1CC(=O)c2ccc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M13 compound treatment 0.416 0.02 0.73 0.411 0.0159 1.03 1.2449 0.9863 1706464 Enamine_002741 OC(=O)Cn1c2CCCCc2c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M14 compound treatment 0.402 0.00597 0.22 0.417 0.0219 1.42 1.1559 0.807 2061641 Enamine_002742 Fc1c(F)c(F)c(NC(=O)COc2ccc(Cl)cc2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M15 compound treatment 0.398 0.00197 0.07 0.396 8.75E-4 0.06 0.0912 0.9927 1578464 Enamine_002743 CCOc1ccc2nc(SCC(=O)N(C)C)[nH]c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M16 compound treatment 0.406 0.00997 0.37 0.403 0.00788 0.51 0.6192 0.9868 1411581 Enamine_002744 Cc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc4C3)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M17 compound treatment 0.398 0.00197 0.07 0.403 0.00788 0.51 0.4115 0.7994 2061642 Enamine_002745 O=C(NC1=NCCCCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M18 compound treatment 0.415 0.019 0.7 0.412 0.0169 1.09 1.2647 0.9764 1122327 Enamine_002746 CCC(C)NC(=O)c1cc(ccc1Cl)S(=O)(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M19 compound treatment 0.401 0.00497 0.18 0.4 0.00488 0.32 0.3521 0.9661 2061643 Enamine_002747 COC(=O)CCSCc1cn2cc(Cl)ccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M20 compound treatment 0.395 -0.00103 -0.04 0.393 -0.00212 -0.14 -0.124 -0.8695 2061644 Enamine_002748 Fc1cc(Br)ccc1/N=C/c2ccc3ncccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M21 compound treatment 0.416 0.02 0.73 0.424 0.0289 1.87 1.8398 0.9166 1429299 Enamine_002749 Clc1ccc(CNC(=O)c2cc3CCCc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M22 compound treatment 0.399 0.00297 0.11 0.398 0.00288 0.19 0.2086 0.9676 2061645 Enamine_002750 Cc1cc(C)[n+](CC(O)CCl)n1CC(O)CCl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M23 mock treatment 0.396 -3.12E-5 0.0 0.396 8.75E-4 0.06 0.0392 0.6926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 M24 mock treatment 0.392 -0.00403 -0.15 0.396 8.75E-4 0.06 -0.0646 -0.4078 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N01 compound treatment 0.398 0.00197 0.07 0.394 -0.00112 -0.07 -4.0E-4 -0.0035 2061646 Enamine_002751 Fc1ccc(cc1)c2ccc(/C=N/n3cnnc3)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N02 compound treatment 0.396 -3.12E-5 0.0 0.394 -0.00112 -0.07 -0.0523 -0.7182 1545579 Enamine_002752 COc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N03 compound treatment 0.402 0.00597 0.22 0.405 0.00988 0.64 0.6068 0.8983 1690594 Enamine_002753 O=C(CSC1=NCCS1)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N04 compound treatment 0.39 -0.00603 -0.22 0.388 -0.00712 -0.46 -0.4826 -0.9436 2061647 Enamine_002754 Clc1ccc(CSCCC(=O)Nc2cccnc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N05 compound treatment 0.414 0.018 0.66 0.414 0.0189 1.22 1.3303 0.9582 1437906 Enamine_002755 O=C(COC(=O)c1ccc(C#N)cc1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N06 compound treatment 0.394 -0.00203 -0.07 0.399 0.00388 0.25 0.1246 0.4761 1649535 Enamine_002756 Clc1ccc(OCC(=O)Nc2nc3ccccc3[nH]2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N07 compound treatment 0.397 9.69E-4 0.04 0.394 -0.00112 -0.07 -0.0263 -0.3249 1571654 Enamine_002757 CC(C)(C)C(=O)CSc1nc2ccccc2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N08 compound treatment 0.394 -0.00203 -0.07 0.39 -0.00512 -0.33 -0.2873 -0.845 1400085 Enamine_002758 Fc1ccccc1CC(=O)OCC(=O)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N09 compound treatment 0.4 0.00397 0.15 0.404 0.00888 0.57 0.5092 0.8593 1741728 Enamine_002759 O=C(COC(=O)C1(CC2CC3CC(C2)C1)C3)NCc4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N10 compound treatment 0.395 -0.00103 -0.04 0.395 -1.25E-4 -0.01 -0.0325 -0.8392 1326779 Enamine_002760 CCNCC(O)c1cccc(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N11 compound treatment 0.394 -0.00203 -0.07 0.396 8.75E-4 0.06 -0.0127 -0.1357 1129720 Enamine_002761 Nc1nnn(Cc2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N12 compound treatment 0.475 0.079 2.9 0.491 0.0959 6.2 6.4376 0.94 1226106 Enamine_002762 COc1cc2ccccc2cc1C(=O)OCC(=O)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N13 compound treatment 0.372 -0.024 -0.88 0.366 -0.0291 -1.88 -1.9567 -0.9402 1172472 Enamine_002763 CC1Cc2ccccc2N1C(=O)c3sc4[nH]c(=O)cc(C)c4c3N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N14 compound treatment 0.394 -0.00203 -0.07 0.396 8.75E-4 0.06 -0.0127 -0.1357 1145686 Enamine_002764 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N15 compound treatment 0.395 -0.00103 -0.04 0.395 -1.25E-4 -0.01 -0.0325 -0.8392 1293235 Enamine_002765 CC1Cc2ccccc2N1C(=O)COc3ncnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N16 compound treatment 0.402 0.00597 0.22 0.395 -1.25E-4 -0.01 0.1493 0.6805 1429440 Enamine_002766 CC(C(O)c1ccccc1)N(C)C(=O)c2cc3c(C)nn(c4ccccc4)c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N17 compound treatment 0.404 0.00797 0.29 0.406 0.0109 0.7 0.7045 0.9244 1599851 Enamine_002767 CC1CCCN(C1)C(=O)COc2ccc3c(C)cc(=O)oc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N18 compound treatment 0.416 0.02 0.73 0.419 0.0239 1.54 1.611 0.942 1314071 Enamine_002768 CC1CCCC(NC(=O)COC(=O)COc2ccccc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N19 compound treatment 0.398 0.00197 0.07 0.402 0.00688 0.44 0.3657 0.8114 2061648 Enamine_002769 Cc1ccc(/C=N/c2ccc(cc2)C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N20 compound treatment 0.395 -0.00103 -0.04 0.398 0.00288 0.19 0.1048 0.5519 1660564 Enamine_002770 Cn1cnnc1SCC(=O)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N21 compound treatment 0.403 0.00697 0.26 0.398 0.00288 0.19 0.3125 0.9877 1399167 Enamine_002771 CCOc1ncccc1C(=O)Nc2cccc(Cl)c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N22 compound treatment 0.386 -0.01 -0.37 0.393 -0.00212 -0.14 -0.3577 -0.9097 1121014 Enamine_002772 CN(C(=O)COc1ccc2c3CCCc3c(=O)oc2c1C)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N23 mock treatment 0.394 -0.00203 -0.07 0.394 -0.00112 -0.07 -0.1042 -0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 N24 mock treatment 0.396 -3.12E-5 0.0 0.392 -0.00312 -0.2 -0.1438 -0.7111 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O01 compound treatment 0.397 9.69E-4 0.04 0.407 0.0119 0.77 0.5685 0.739 1126029 Enamine_002773 Cc1cc(NC(=O)CSc2ccc3ccccc3c2)no1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O02 compound treatment 0.408 0.012 0.44 0.402 0.00688 0.44 0.6254 1.0 1189191 Enamine_002774 Cc1cc(C)c(C#N)c(SCC(=O)NCC2CCCCC2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O03 compound treatment 0.397 9.69E-4 0.04 0.397 0.00188 0.12 0.111 0.8775 1461283 Enamine_002775 COc1ccccc1C(=O)Nc2ccc3nc(C)sc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O04 compound treatment 0.405 0.00897 0.33 0.403 0.00788 0.51 0.5932 0.9777 1689189 Enamine_002776 NC(=O)c1ccccc1NC(=O)CC2(CC(=O)O)CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O05 compound treatment 0.4 0.00397 0.15 0.401 0.00588 0.38 0.3719 0.9134 1620982 Enamine_002777 O=C(Nc1nncs1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O06 compound treatment 0.404 0.00797 0.29 0.405 0.00988 0.64 0.6588 0.9373 1403975 Enamine_002778 COc1ccc(cc1)C(CC(=O)c2ccco2)C3CCCCC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O07 compound treatment 0.405 0.00897 0.33 0.406 0.0109 0.7 0.7305 0.9402 2061649 Enamine_002779 COc1ccc2cc(ccc2c1)c3csc(n3)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O08 compound treatment 0.489 0.093 3.41 0.49 0.0949 6.14 6.7554 0.9616 1455514 Enamine_002780 Cc1nc(NC(=O)CSc2ccccc2)sc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O09 compound treatment 0.398 0.00197 0.07 0.394 -0.00112 -0.07 -4.0E-4 -0.0035 1672372 Enamine_002781 CN(C(=O)c1cc(=O)c2ccccc2o1)C3(CCCCC3=O)c4ccccc4Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O10 compound treatment 0.399 0.00297 0.11 0.397 0.00188 0.12 0.1629 0.9986 1512124 Enamine_002782 CC(NC(=O)c1ccccc1NC(=O)c2ccccc2)C(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O11 compound treatment 0.397 9.69E-4 0.04 0.395 -1.25E-4 -0.01 0.0194 0.5327 1403196 Enamine_002783 CC(C(O)c1ccccc1)N(C)S(=O)(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O12 compound treatment 0.401 0.00497 0.18 0.402 0.00688 0.44 0.4436 0.9225 2061650 Enamine_002784 Nc1scc[n+]1CC(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O13 compound treatment 0.394 -0.00203 -0.07 0.393 -0.00212 -0.14 -0.15 -0.9587 1693903 Enamine_002785 OC(=O)CC1(CC(=O)N2CCc3ccccc23)CCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O14 compound treatment 0.401 0.00497 0.18 0.401 0.00588 0.38 0.3978 0.9434 1488635 Enamine_002786 NC(=O)C1CCN(CC1)C(=O)c2ccc(F)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O15 compound treatment 0.399 0.00297 0.11 0.395 -1.25E-4 -0.01 0.0714 0.6528 1124112 Enamine_002787 Cc1ccc(C(=O)OCC(=O)N2CCOCC2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O16 compound treatment 0.403 0.00697 0.26 0.398 0.00288 0.19 0.3125 0.9877 2061651 Enamine_002788 Cc1nn(CCC#N)c2nc([nH]c(=O)c12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O17 compound treatment 0.396 -3.12E-5 0.0 0.396 8.75E-4 0.06 0.0392 0.6926 2061652 Enamine_002789 OC(=O)/C=C/1\C(=O)Nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O18 compound treatment 0.409 0.013 0.48 0.404 0.00888 0.57 0.7429 0.9957 1193670 Enamine_002790 CCOc1ccccc1NC(=O)c2c(Cl)nc3sccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O19 compound treatment 0.395 -0.00103 -0.04 0.391 -0.00412 -0.27 -0.2155 -0.7994 2061653 Enamine_002791 COc1ccc(NS(=O)(=O)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O20 compound treatment 0.409 0.013 0.48 0.403 0.00788 0.51 0.6971 0.9994 2061654 Enamine_002792 COc1ccccc1Nc2ccc(/N=C/c3ccc(F)c(F)c3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O21 compound treatment 0.395 -0.00103 -0.04 0.397 0.00188 0.12 0.059 0.4643 2061655 Enamine_002793 Fc1cccc(NC(=O)c2c(Cl)nc3ccccn23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O22 compound treatment 0.399 0.00297 0.11 0.398 0.00288 0.19 0.2086 0.9676 2061656 Enamine_002794 CN(C)n1c(C)nnc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O23 mock treatment 0.396 -3.12E-5 0.0 0.397 0.00188 0.12 0.085 0.7004 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 O24 mock treatment 0.39 -0.00603 -0.22 0.4 0.00488 0.32 0.0665 0.1724 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P01 compound treatment 0.405 0.00897 0.33 0.402 0.00688 0.44 0.5475 0.989 1236565 Enamine_002795 CC1CCCC(C)N1C(=O)COC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P02 compound treatment 0.399 0.00297 0.11 0.395 -1.25E-4 -0.01 0.0714 0.6528 1467459 Enamine_002796 O=C(N1CCc2ccccc2C1)c3cc4CCCc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P03 compound treatment 0.4 0.00397 0.15 0.404 0.00888 0.57 0.5092 0.8593 2061657 Enamine_002797 CC1CCCC(C)N1C(=O)COC(=O)c2ccc(cc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P04 compound treatment 0.394 -0.00203 -0.07 0.395 -1.25E-4 -0.01 -0.0585 -0.7792 1652730 Enamine_002798 Brc1ccc(SCCC(=O)Nc2cccnc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P05 compound treatment 0.409 0.013 0.48 0.409 0.0139 0.9 0.9716 0.956 1431293 Enamine_002799 CC1CCCC(C)N1C(=O)COC(=O)c2ccccc2I 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P06 compound treatment 0.4 0.00397 0.15 0.401 0.00588 0.38 0.3719 0.9134 1674898 Enamine_002800 CC(CCc1ccccc1)NC(=O)CSc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P07 compound treatment 0.402 0.00597 0.22 0.401 0.00588 0.38 0.4238 0.9658 1487068 Enamine_002801 O=C(CSc1ncccn1)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P08 compound treatment 0.393 -0.00303 -0.11 0.41 0.0149 0.96 0.6019 0.6212 2061658 Enamine_002802 Fc1ccc(cc1)C(=O)COC(=O)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P09 compound treatment 0.416 0.02 0.73 0.418 0.0229 1.48 1.5652 0.9475 2061659 Enamine_002803 Cc1cc(Cl)cc2sc(NC(=O)CCCCl)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P10 compound treatment 0.407 0.011 0.4 0.405 0.00988 0.64 0.7367 0.9752 1341613 Enamine_002804 Cc1cc(NC(=O)CC(c2ccccc2)c3ccccc3)no1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P11 compound treatment 0.399 0.00297 0.11 0.402 0.00688 0.44 0.3917 0.8551 1438374 Enamine_002805 CCSCc1nc2ccccn2c1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P12 compound treatment 0.395 -0.00103 -0.04 0.412 0.0169 1.09 0.7454 0.6822 1672148 Enamine_002806 Fc1ccc(cc1)C(=O)COC(=O)COc2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P13 compound treatment 0.43 0.034 1.25 0.434 0.0389 2.52 2.6609 0.9476 2061660 Enamine_002807 Fc1ccc(NC(=O)CCSCc2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P14 compound treatment 0.398 0.00197 0.07 0.403 0.00788 0.51 0.4115 0.7994 1729742 Enamine_002808 O=C(COC(=O)c1ccccc1C(=O)c2ccccc2)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P15 compound treatment 0.405 0.00897 0.33 0.397 0.00188 0.12 0.3187 0.908 1634091 Enamine_002809 CC1CCCC(C)N1C(=O)CSc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P16 compound treatment 0.398 0.00197 0.07 0.399 0.00388 0.25 0.2284 0.8753 2061661 Enamine_002810 O=C(COC(=O)/C=C/c1ccco1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P17 compound treatment 0.404 0.00797 0.29 0.406 0.0109 0.7 0.7045 0.9244 2061662 Enamine_002811 COc1cccc(/C=C/C(=O)NCc2csc(n2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P18 compound treatment 0.393 -0.00303 -0.11 0.388 -0.00712 -0.46 -0.4047 -0.8533 1681300 Enamine_002812 Cc1cccc(C(=O)OCC(=O)NCc2ccccc2Cl)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P19 compound treatment 0.401 0.00497 0.18 0.403 0.00788 0.51 0.4894 0.9041 2061663 Enamine_002813 CC(C)c1ccc(/N=C/c2cccs2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P20 compound treatment 0.398 0.00197 0.07 0.397 0.00188 0.12 0.1369 0.9694 2061664 Enamine_002814 Fc1ccc(NC(=O)COC(=O)Cc2cccs2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P21 compound treatment 0.396 -3.12E-5 0.0 0.401 0.00588 0.38 0.268 0.705 2061665 Enamine_002815 COc1cccc(C2N(Cc3ccccc3)C(=O)C2(F)F)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P22 compound treatment 0.393 -0.00303 -0.11 0.393 -0.00212 -0.14 -0.1759 -0.9945 1726848 Enamine_002816 COc1ccc(Cl)cc1NCC(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P23 mock treatment 0.394 -0.00203 -0.07 0.39 -0.00512 -0.33 -0.2873 -0.845 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1401 P24 mock treatment 0.399 0.00297 0.11 0.398 0.00288 0.19 0.2086 0.9676 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A01 compound treatment 0.377 -0.0157 -0.58 0.373 -0.0204 -1.32 -1.3419 -0.9311 2061666 Enamine_002817 FC(F)(F)c1ccc(N2CCOCC2)c(NCC(=O)N3CCc4ccccc4C3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A02 compound treatment 0.407 0.0143 0.52 0.405 0.0116 0.75 0.9013 0.9847 2061667 Enamine_002818 Oc1c(Br)cc(cc1Br)C2NC(=NO2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A03 compound treatment 0.39 -0.00272 -0.1 0.392 -0.00141 -0.09 -0.1349 -0.9989 2061668 Enamine_002819 CC(C)CNC1=NCCS1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A04 compound treatment 0.389 -0.00372 -0.14 0.393 -4.06E-4 -0.03 -0.1152 -0.828 1604803 Enamine_002820 CC1CCCN(C1)C(=O)COC(=O)c2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A05 compound treatment 0.388 -0.00472 -0.17 0.392 -0.00141 -0.09 -0.1869 -0.9548 2061669 Enamine_002821 FC(F)(F)Cc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A06 compound treatment 0.399 0.00628 0.23 0.397 0.00359 0.23 0.3275 1.0 1490405 Enamine_002822 CCN(CC)CCN1COc2c(C1)cc(Cl)c3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A07 compound treatment 0.396 0.00328 0.12 0.403 0.00959 0.62 0.5242 0.8289 1668168 Enamine_002823 Clc1ncccc1C(=O)OCC(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A08 compound treatment 0.394 0.00128 0.05 0.391 -0.00241 -0.16 -0.0768 -0.4724 2061670 Enamine_002824 Clc1ccc(NC2=NCCCS2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A09 compound treatment 0.434 0.0413 1.52 0.427 0.0336 2.17 2.6091 0.9845 2061671 Enamine_002825 FC(F)(F)c1ccccc1NC(=O)COC(=O)/C=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A10 compound treatment 0.396 0.00328 0.12 0.392 -0.00141 -0.09 0.0209 0.1381 2061672 Enamine_002826 CC(C)N(C(=O)CSc1nnc(C)n1c2ccc(C)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A11 compound treatment 0.4 0.00728 0.27 0.396 0.00259 0.17 0.3078 0.9748 2061673 Enamine_002827 Cc1cc(C)n2cc(CSCc3ccccc3)nc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A12 compound treatment 0.404 0.0113 0.41 0.399 0.00559 0.36 0.5489 0.9977 1320217 Enamine_002828 CC1CCCC(C)N1C(=O)COC(=O)CCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A13 compound treatment 0.388 -0.00472 -0.17 0.393 -4.06E-4 -0.03 -0.1411 -0.8052 1389868 Enamine_002829 CCC(=O)OCC(=O)Nc1cccc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A14 compound treatment 0.399 0.00628 0.23 0.389 -0.00441 -0.29 -0.0385 -0.105 1608394 Enamine_002830 Cc1nc2sc(cc2c(=O)n1n3cccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A15 compound treatment 0.394 0.00128 0.05 0.389 -0.00441 -0.29 -0.1684 -0.5825 1366287 Enamine_002831 Cc1ccc(cc1)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A16 compound treatment 0.403 0.0103 0.38 0.407 0.0136 0.88 0.889 0.9287 2061674 Enamine_002832 CC(C)c1ccccc1/N=C/c2ccc[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A17 compound treatment 0.382 -0.0107 -0.39 0.39 -0.00341 -0.22 -0.4342 -0.9624 1346104 Enamine_002833 O=C(COc1ncnc2ccccc12)NCCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A18 compound treatment 0.389 -0.00372 -0.14 0.395 0.00159 0.1 -0.0236 -0.1381 1476536 Enamine_002834 O=C(COC(=O)c1ccccc1)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A19 compound treatment 0.393 2.81E-4 0.01 0.392 -0.00141 -0.09 -0.057 -0.6229 1493544 Enamine_002835 Clc1ncccc1C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A20 compound treatment 0.381 -0.0117 -0.43 0.391 -0.00241 -0.16 -0.4144 -0.9055 1578896 Enamine_002836 CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A21 compound treatment 0.391 -0.00172 -0.06 0.391 -0.00241 -0.16 -0.1547 -0.9209 2061675 Enamine_002837 Cc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A22 compound treatment 0.394 0.00128 0.05 0.394 5.94E-4 0.04 0.0604 0.9949 2061676 Enamine_002838 Brc1ccc(C(=O)Cn2cncn2)c(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A23 mock treatment 0.389 -0.00372 -0.14 0.387 -0.00641 -0.41 -0.3897 -0.8928 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 A24 mock treatment 0.388 -0.00472 -0.17 0.392 -0.00141 -0.09 -0.1869 -0.9548 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B01 compound treatment 0.427 0.0343 1.26 0.416 0.0226 1.46 1.924 0.9972 2061677 Enamine_002839 Nc1cc(Cl)ccc1C(=O)OCC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B02 compound treatment 0.427 0.0343 1.26 0.432 0.0386 2.5 2.6561 0.9497 2061678 Enamine_002840 COc1ccc(CC(=O)Nc2nc(cs2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B03 compound treatment 0.416 0.0233 0.85 0.412 0.0186 1.2 1.4553 0.986 1599236 Enamine_002841 CN(C1CCCCC1)C(=O)COC(=O)c2cnc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B04 compound treatment 0.38 -0.0127 -0.47 0.391 -0.00241 -0.16 -0.4404 -0.8944 1282690 Enamine_002842 Oc1ccc(cc1)C(=O)OCc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B05 compound treatment 0.405 0.0123 0.45 0.418 0.0246 1.59 1.4443 0.8731 1444666 Enamine_002843 O=C(Cc1nc2ccccc2[nH]1)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B06 compound treatment 0.403 0.0103 0.38 0.406 0.0126 0.81 0.8432 0.9388 1206969 Enamine_002844 Brc1ccc2oc(=O)c(NC(=O)C3CCCCC3)cc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B07 compound treatment 0.447 0.0543 1.99 0.452 0.0586 3.79 4.0906 0.9549 2061679 Enamine_002845 N#C/C(=C\C1CC2CC1C=C2)/c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B08 compound treatment 0.434 0.0413 1.52 0.43 0.0366 2.37 2.7464 0.9768 1260893 Enamine_002846 Cc1cc(C(=O)OCC(=O)Nc2ccccc2)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B09 compound treatment 0.428 0.0353 1.3 0.431 0.0376 2.43 2.6363 0.9565 2061680 Enamine_002847 O=C(COC(=O)c1n[nH]c2ccccc12)N3CCC(Cc4ccccc4)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B10 compound treatment 0.455 0.0623 2.29 0.44 0.0466 3.02 3.7493 0.9907 2061681 Enamine_002848 CCCOc1ccc2cc(C(=O)c3ccccc3)c(=N)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B11 compound treatment 0.427 0.0343 1.26 0.423 0.0296 1.92 2.2443 0.9793 2061682 Enamine_002849 Fc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B12 compound treatment 0.412 0.0193 0.71 0.4 0.00659 0.43 0.8024 0.9706 2061683 Enamine_002850 FC(F)(F)c1cccc(c1)C(=O)C2CCCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B13 compound treatment 0.41 0.0173 0.63 0.413 0.0196 1.27 1.3453 0.9488 2061684 Enamine_002851 Fc1cc(Br)ccc1/N=C/c2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B14 compound treatment 0.402 0.00928 0.34 0.402 0.00859 0.56 0.6342 0.9724 2061685 Enamine_002852 COC(=O)Cc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B15 compound treatment 0.428 0.0353 1.3 0.428 0.0346 2.24 2.4991 0.9662 1714886 Enamine_002853 COC(=O)C1=C(C)NC2=C(C1c3c(F)cccc3F)C(=O)CCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B16 compound treatment 0.408 0.0153 0.56 0.406 0.0126 0.81 0.9731 0.9834 2061686 Enamine_002854 CC1CC2N(C(=O)c3c2cccc3C(=O)O)c4ccc(Cl)cc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B17 compound treatment 0.408 0.0153 0.56 0.417 0.0236 1.53 1.4764 0.9076 2061687 Enamine_002855 Cc1cccc(C)c1/N=C/2\NC(=O)CS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B18 compound treatment 0.415 0.0223 0.82 0.409 0.0156 1.01 1.2921 0.9946 2061688 Enamine_002856 Cc1ccc(cc1)C(=O)COC(=O)c2c(F)cccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B19 compound treatment 0.416 0.0233 0.85 0.412 0.0186 1.2 1.4553 0.986 2061689 Enamine_002857 CC1Cc2ccccc2N1C(=O)COC(=O)/C=C/c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B20 compound treatment 0.41 0.0173 0.63 0.416 0.0226 1.46 1.4826 0.9302 2061690 Enamine_002858 CCN1C(=O)/C(=C/2\C(=O)Nc3ccc(Cl)cc23)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B21 compound treatment 0.445 0.0523 1.92 0.425 0.0316 2.04 2.8032 0.9995 2061691 Enamine_002859 Fc1c(F)c(F)c(NC(=O)COC(=O)c2cccs2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B22 compound treatment 0.398 0.00528 0.19 0.405 0.0116 0.75 0.6676 0.8616 2061692 Enamine_002860 CCN(Cc1ccccc1)c2ccc(/C=N/c3ccc(O)cc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B23 mock treatment 0.399 0.00628 0.23 0.404 0.0106 0.69 0.6479 0.8957 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 B24 mock treatment 0.395 0.00228 0.08 0.394 5.94E-4 0.04 0.0864 0.9375 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C01 compound treatment 0.373 -0.0197 -0.72 0.371 -0.0224 -1.45 -1.5373 -0.9485 2061693 Enamine_002861 O=C(COC(=O)c1ccco1)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C02 compound treatment 0.379 -0.0137 -0.5 0.381 -0.0124 -0.8 -0.9239 -0.9748 2061694 Enamine_002862 FC(F)(F)c1cccc(c1)C(=O)COC(=O)COc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C03 compound treatment 0.38 -0.0127 -0.47 0.382 -0.0114 -0.74 -0.8522 -0.9756 2061695 Enamine_002863 CCOc1ccc(NC2=NCCCS2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C04 compound treatment 0.38 -0.0127 -0.47 0.389 -0.00441 -0.29 -0.5319 -0.972 1710987 Enamine_002864 O=C(COC(=O)c1ccccc1C(=O)c2ccccc2)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C05 compound treatment 0.378 -0.0147 -0.54 0.388 -0.00541 -0.35 -0.6296 -0.9778 2061696 Enamine_002865 FCc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C06 compound treatment 0.383 -0.00972 -0.36 0.385 -0.00841 -0.54 -0.637 -0.9791 2061697 Enamine_002866 Cc1cc(NC2=CC(=O)CCC2)n(n1)c3cc(ccc3Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C07 compound treatment 0.385 -0.00772 -0.28 0.376 -0.0174 -1.13 -0.9969 -0.8583 1190695 Enamine_002867 Fc1ccc(cc1)C(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C08 compound treatment 0.388 -0.00472 -0.17 0.394 5.94E-4 0.04 -0.0954 -0.5373 2061698 Enamine_002868 Cc1ccccc1NC2=NC(C)(C)CS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C09 compound treatment 0.382 -0.0107 -0.39 0.389 -0.00441 -0.29 -0.4799 -0.9875 1245991 Enamine_002869 Clc1ccc(cn1)C(=O)OCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C10 compound treatment 0.383 -0.00972 -0.36 0.387 -0.00641 -0.41 -0.5455 -0.9972 2061699 Enamine_002870 CCC1CN=C(Nc2cccc(C)c2)S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C11 compound treatment 0.393 2.81E-4 0.01 0.391 -0.00241 -0.16 -0.1028 -0.6588 1451327 Enamine_002871 Brc1cccc(c1)C(=O)N(C(=O)c2cccc(Br)c2)c3ncccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C12 compound treatment 0.384 -0.00872 -0.32 0.386 -0.00741 -0.48 -0.5653 -0.9808 1182914 Enamine_002872 CC1CCCC(C)N1C(=O)COC(=O)c2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C13 compound treatment 0.456 0.0633 2.32 0.45 0.0566 3.66 4.2328 0.9759 2061700 Enamine_002873 Cc1ccsc1C(=O)OCC(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C14 compound treatment 0.383 -0.00972 -0.36 0.383 -0.0104 -0.67 -0.7285 -0.9559 2061701 Enamine_002874 Brc1ccccc1C(=O)COC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C15 compound treatment 0.415 0.0223 0.82 0.403 0.00959 0.62 1.0176 0.9907 1469758 Enamine_002875 Fc1cc(Br)ccc1NC(=O)COC(=O)COc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C16 compound treatment 0.389 -0.00372 -0.14 0.384 -0.00941 -0.61 -0.527 -0.8447 2061702 Enamine_002876 FC(F)(F)c1cccc(c1)C(=O)COC(=O)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C17 compound treatment 0.39 -0.00272 -0.1 0.39 -0.00341 -0.22 -0.2265 -0.9359 2061703 Enamine_002877 CC1CCN(CC1)C(=O)COC(=O)/C=C/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C18 compound treatment 0.39 -0.00272 -0.1 0.392 -0.00141 -0.09 -0.1349 -0.9989 1652509 Enamine_002878 CN(C1CCCCC1)C(=O)COC(=O)c2sccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C19 compound treatment 0.383 -0.00972 -0.36 0.381 -0.0124 -0.8 -0.82 -0.9334 1182682 Enamine_002879 Clc1ccc(OCC(=O)OCC(=O)N2CCCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C20 compound treatment 0.394 0.00128 0.05 0.391 -0.00241 -0.16 -0.0768 -0.4724 1518612 Enamine_002880 Fc1cc(Cl)c(cc1F)C(=O)Nc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C21 compound treatment 0.381 -0.0117 -0.43 0.376 -0.0174 -1.13 -1.1008 -0.9129 1610807 Enamine_002881 OC(=O)c1ccccc1OCC(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C22 compound treatment 0.378 -0.0147 -0.54 0.38 -0.0134 -0.87 -0.9956 -0.9741 2061704 Enamine_002882 CC(=O)N/C(=C\c1ccc(Cl)cc1)/C(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C23 mock treatment 0.375 -0.0177 -0.65 0.375 -0.0184 -1.19 -1.3023 -0.9595 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 C24 mock treatment 0.381 -0.0117 -0.43 0.38 -0.0134 -0.87 -0.9177 -0.9477 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D01 compound treatment 0.408 0.0153 0.56 0.404 0.0106 0.69 0.8815 0.9951 2061705 Enamine_002883 COc1ccc(/C=N/c2ccccc2Sc3ccccc3)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D02 compound treatment 0.394 0.00128 0.05 0.396 0.00259 0.17 0.152 0.8717 2061706 Enamine_002884 COc1ccc(/N=C/C(=C/c2ccccc2)/Br)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D03 compound treatment 0.402 0.00928 0.34 0.399 0.00559 0.36 0.497 0.9995 1119396 Enamine_002885 OC(=O)c1ccccc1SCC(=O)NCCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D04 compound treatment 0.408 0.0153 0.56 0.4 0.00659 0.43 0.6985 0.9909 1700873 Enamine_002886 CC1CN(CC(C)O1)C(=O)COC(=O)c2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D05 compound treatment 0.429 0.0363 1.33 0.409 0.0156 1.01 1.6556 0.9906 1625143 Enamine_002887 CCOC(=O)c1ccccc1NC(=O)c2ccc(cc2)n3nc(C)cc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D06 compound treatment 0.392 -7.19E-4 -0.03 0.395 0.00159 0.1 0.0543 0.5097 2061707 Enamine_002888 CC(Oc1ccccc1)C(=O)Nc2nc(C)cs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D07 compound treatment 0.41 0.0173 0.63 0.409 0.0156 1.01 1.1623 0.975 2061708 Enamine_002889 Cc1c(C)c2ccccc2n1C(=O)CSc3ncccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D08 compound treatment 0.41 0.0173 0.63 0.411 0.0176 1.14 1.2538 0.9619 2061709 Enamine_002890 Cc1cc(C(=O)OCC(=O)NCc2ccccc2)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D09 compound treatment 0.397 0.00428 0.16 0.399 0.00559 0.36 0.3671 0.9303 2061710 Enamine_002891 BrC1(CC2CC3C1)CC(C2)(C3)C(=O)OCC(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D10 compound treatment 0.494 0.101 3.72 0.485 0.0916 5.93 6.8211 0.9748 2061711 Enamine_002892 Oc1ccc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(=N)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D11 compound treatment 0.402 0.00928 0.34 0.403 0.00959 0.62 0.68 0.9601 2061712 Enamine_002893 COc1ccc(/N=C/c2ccccc2Br)cn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D12 compound treatment 0.398 0.00528 0.19 0.393 -4.06E-4 -0.03 0.1185 0.6057 2061713 Enamine_002894 CCOc1ccccc1NC2=NC(C)(C)CS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D13 compound treatment 0.411 0.0183 0.67 0.423 0.0296 1.92 1.8289 0.9012 2061714 Enamine_002895 CN(C)c1ccc(cc1)C(=O)OCC(=O)c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D14 compound treatment 0.406 0.0133 0.49 0.402 0.00859 0.56 0.7381 0.9979 1591416 Enamine_002896 Cc1cc(Nc2ccccc2F)nc(n1)c3ccccc3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D15 compound treatment 0.396 0.00328 0.12 0.388 -0.00541 -0.35 -0.1622 -0.4383 1380873 Enamine_002897 CCOc1ccc(Br)cc1S(=O)(=O)n2cccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D16 compound treatment 0.402 0.00928 0.34 0.397 0.00359 0.23 0.4054 0.9826 1625030 Enamine_002898 Fc1cccc(c1)C2(CCCC2)C(=O)OCC(=O)Nc3ccccc3C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D17 compound treatment 0.412 0.0193 0.71 0.414 0.0206 1.33 1.443 0.9562 1197440 Enamine_002899 O=C(Nc1nccs1)c2cc(=O)[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D18 compound treatment 0.472 0.0793 2.91 0.495 0.102 6.57 6.7074 0.9329 2061715 Enamine_002900 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D19 compound treatment 0.401 0.00828 0.3 0.4 0.00659 0.43 0.5168 0.9862 2061716 Enamine_002901 COC(=O)c1ccc(COC(=O)c2ccc(C)cc2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D20 compound treatment 0.39 -0.00272 -0.1 0.396 0.00259 0.17 0.0481 0.2462 2061717 Enamine_002902 NC(=O)COC(=O)CC1(CC2CC3CC(Br)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D21 compound treatment 0.43 0.0373 1.37 0.418 0.0246 1.59 2.0934 0.9972 1121704 Enamine_002903 Clc1ccc(Cl)c(SCC(=O)OCC(=O)c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D22 compound treatment 0.391 -0.00172 -0.06 0.397 0.00359 0.23 0.1198 0.4972 1398489 Enamine_002904 Cc1ccc2[nH]c(SCC(=O)N3CC4(C)CC3CC(C)(C)C4)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D23 mock treatment 0.399 0.00628 0.23 0.39 -0.00341 -0.22 0.0072 0.0227 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 D24 mock treatment 0.39 -0.00272 -0.1 0.388 -0.00541 -0.35 -0.318 -0.874 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E01 compound treatment 0.397 0.00428 0.16 0.397 0.00359 0.23 0.2756 0.9818 2061718 Enamine_002905 CCN(C(=O)CSc1ccc(Br)cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E02 compound treatment 0.404 0.0113 0.41 0.404 0.0106 0.69 0.7777 0.9709 1444948 Enamine_002906 CCc1nc2ccccc2c(C(=O)OCC(=O)NCc3ccccc3)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E03 compound treatment 0.4 0.00728 0.27 0.401 0.00759 0.49 0.5365 0.9591 2061719 Enamine_002907 CCOc1ccc(NC2=NCCS2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E04 compound treatment 0.41 0.0173 0.63 0.41 0.0166 1.07 1.208 0.9685 1344546 Enamine_002908 O=C(CN1C(=O)c2ccccc2S1(=O)=O)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E05 compound treatment 0.401 0.00828 0.3 0.398 0.00459 0.3 0.4252 0.9999 2061720 Enamine_002909 Cc1cc(nc2ccccc12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E06 compound treatment 0.4 0.00728 0.27 0.405 0.0116 0.75 0.7196 0.9035 1361715 Enamine_002910 OCCNC(=O)c1c(Cl)nc2ccccn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E07 compound treatment 0.403 0.0103 0.38 0.415 0.0216 1.4 1.2551 0.8671 1676054 Enamine_002911 O=C(OCc1ccccc1)c2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E08 compound treatment 0.472 0.0793 2.91 0.472 0.0786 5.09 5.655 0.965 2061721 Enamine_002912 C1SC(=Nc2ccccc12)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E09 compound treatment 0.397 0.00428 0.16 0.406 0.0126 0.81 0.6874 0.8282 1635414 Enamine_002913 CCC(=O)OCC(=O)Nc1ccc(Br)cc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E10 compound treatment 0.406 0.0133 0.49 0.411 0.0176 1.14 1.1499 0.9284 2061722 Enamine_002914 CSC(=S)N(C)c1ccccn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E11 compound treatment 0.402 0.00928 0.34 0.399 0.00559 0.36 0.497 0.9995 2061723 Enamine_002915 CC(C)c1ccc(NC(=O)CSc2nnc[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E12 compound treatment 0.404 0.0113 0.41 0.404 0.0106 0.69 0.7777 0.9709 2061724 Enamine_002916 CN(Cc1ccccc1)C(=O)CSc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E13 compound treatment 0.417 0.0243 0.89 0.421 0.0276 1.79 1.8931 0.9485 2061725 Enamine_002917 O=C(CSc1ccccn1)Nc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E14 compound treatment 0.398 0.00528 0.19 0.392 -0.00141 -0.09 0.0728 0.3398 2061726 Enamine_002918 Clc1ncccc1C(=O)OCC(=O)c2ccccc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E15 compound treatment 0.4 0.00728 0.27 0.404 0.0106 0.69 0.6738 0.9157 1436028 Enamine_002919 CC1CCN(CC1)C(=O)COC(=O)c2n[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E16 compound treatment 0.404 0.0113 0.41 0.399 0.00559 0.36 0.5489 0.9977 2061727 Enamine_002920 Clc1ccc(s1)C(=O)COC(=O)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E17 compound treatment 0.407 0.0143 0.52 0.402 0.00859 0.56 0.7641 0.9996 1331370 Enamine_002921 O=C(COc1ncnc2ccccc12)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E18 compound treatment 0.416 0.0233 0.85 0.405 0.0116 0.75 1.135 0.9979 1244968 Enamine_002922 Clc1cccc(NC(=O)COC(=O)C2CCC2)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E19 compound treatment 0.399 0.00628 0.23 0.396 0.00259 0.17 0.2818 0.9878 1402935 Enamine_002923 CC1CCN(CC1)C(=O)COC(=O)c2ccc(Cl)nc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E20 compound treatment 0.404 0.0113 0.41 0.399 0.00559 0.36 0.5489 0.9977 1643961 Enamine_002924 COc1cc(OC)cc(c1)C(=O)N(C)C2(CCCCC2=O)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E21 compound treatment 0.402 0.00928 0.34 0.395 0.00159 0.1 0.3139 0.8816 1622935 Enamine_002925 OC(=O)c1ccccc1OCC(=O)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E22 compound treatment 0.399 0.00628 0.23 0.405 0.0116 0.75 0.6936 0.8837 1413233 Enamine_002926 Clc1ccccc1COc2ccccc2C(=O)OCC(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E23 mock treatment 0.395 0.00228 0.08 0.394 5.94E-4 0.04 0.0864 0.9375 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 E24 mock treatment 0.393 2.81E-4 0.01 0.397 0.00359 0.23 0.1717 0.7378 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F01 compound treatment 0.403 0.0103 0.38 0.402 0.00859 0.56 0.6602 0.9822 1622041 Enamine_002927 CC1CCN(CC1)C(=O)COC(=O)c2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F02 compound treatment 0.418 0.0253 0.93 0.42 0.0266 1.72 1.8733 0.958 1685205 Enamine_002928 CN(Cc1ccccc1)C(=O)COC(=O)c2c3CCCc3nc4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F03 compound treatment 0.412 0.0193 0.71 0.411 0.0176 1.14 1.3057 0.9739 2061728 Enamine_002929 O=C(OC1CCOC1=O)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F04 compound treatment 0.41 0.0173 0.63 0.404 0.0106 0.69 0.9335 0.9993 1384172 Enamine_002930 Oc1ccccc1C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F05 compound treatment 0.402 0.00928 0.34 0.41 0.0166 1.07 1.0003 0.8879 1683619 Enamine_002931 CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F06 compound treatment 0.407 0.0143 0.52 0.406 0.0126 0.81 0.9471 0.9773 2061729 Enamine_002932 Cc1cc(C)n2cc(CSC3CCCC3)nc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F07 compound treatment 0.411 0.0183 0.67 0.419 0.0256 1.66 1.6458 0.9209 2061730 Enamine_002933 Cc1ccc(cc1)n2cnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F08 compound treatment 0.415 0.0223 0.82 0.421 0.0276 1.79 1.8412 0.9374 2061731 Enamine_002934 Cc1ccccc1C2=NOC(N2)c3ccc(F)cc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F09 compound treatment 0.446 0.0533 1.96 0.441 0.0476 3.08 3.5613 0.976 1370941 Enamine_002935 CN(C)c1ccc(cc1)C(=O)OCC(=O)c2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F10 compound treatment 0.419 0.0263 0.97 0.424 0.0306 1.98 2.0823 0.9455 2061732 Enamine_002936 Fc1ccc(cc1)C(=O)CCC(=O)Nc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F11 compound treatment 0.405 0.0123 0.45 0.404 0.0106 0.69 0.8037 0.9794 1530538 Enamine_002937 O=C(COC(=O)CCc1ccccc1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F12 compound treatment 0.387 -0.00572 -0.21 0.39 -0.00341 -0.22 -0.3044 -0.9997 2061733 Enamine_002938 Clc1cc(Cl)cc(NC(=O)CC#N)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F13 compound treatment 0.403 0.0103 0.38 0.412 0.0186 1.2 1.1178 0.8864 2061734 Enamine_002939 Fc1ccccc1C(=O)COC(=O)c2c(F)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F14 compound treatment 0.423 0.0303 1.11 0.415 0.0216 1.4 1.7744 0.9936 1375181 Enamine_002940 CC1CC(C)(C)Nc2ccc(OC(=O)c3ccccc3)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F15 compound treatment 0.395 0.00228 0.08 0.391 -0.00241 -0.16 -0.0509 -0.2877 1169051 Enamine_002941 Brc1ccc(OCc2cn3ccccc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F16 compound treatment 0.437 0.0443 1.63 0.431 0.0376 2.43 2.87 0.9808 2061735 Enamine_002942 Cc1ccc(o1)c2csc3ncn(n4c(C)ccc4C)c(=O)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F17 compound treatment 0.419 0.0263 0.97 0.415 0.0216 1.4 1.6705 0.9837 2061736 Enamine_002943 CC1CN=C(NCc2ccncc2)S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F18 compound treatment 0.423 0.0303 1.11 0.41 0.0166 1.07 1.5456 0.9998 1162461 Enamine_002944 Brc1ccc2oc(=O)c(cc2c1)C(=O)NCC3CCCO3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F19 compound treatment 0.412 0.0193 0.71 0.417 0.0236 1.53 1.5803 0.939 1464913 Enamine_002945 O=C(Cc1ccc(cc1)c2ccccc2)OCC(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F20 compound treatment 0.403 0.0103 0.38 0.403 0.00959 0.62 0.706 0.9716 1665814 Enamine_002946 C1CCCN(CC1)c2ncnc3sccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F21 compound treatment 0.459 0.0663 2.43 0.46 0.0666 4.31 4.7683 0.9634 2061737 Enamine_002947 Brc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F22 compound treatment 0.426 0.0333 1.22 0.427 0.0336 2.17 2.4014 0.9629 2061738 Enamine_002948 COc1ccc(/N=C/C(=C/c2ccccc2)/Br)cn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F23 mock treatment 0.396 0.00328 0.12 0.405 0.0116 0.75 0.6157 0.8103 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 F24 mock treatment 0.404 0.0113 0.41 0.399 0.00559 0.36 0.5489 0.9977 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G01 compound treatment 0.396 0.00328 0.12 0.4 0.00659 0.43 0.3869 0.8727 1361302 Enamine_002949 O=C(CC#N)Nc1ccc2OCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G02 compound treatment 0.4 0.00728 0.27 0.403 0.00959 0.62 0.6281 0.9291 1611665 Enamine_002950 CN(Cc1ccccc1)C(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G03 compound treatment 0.397 0.00428 0.16 0.395 0.00159 0.1 0.1841 0.9791 2061739 Enamine_002951 COc1ccccc1NC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G04 compound treatment 0.401 0.00828 0.3 0.406 0.0126 0.81 0.7913 0.9097 1538954 Enamine_002952 NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G05 compound treatment 0.673 0.28 10.29 0.651 0.258 16.67 19.0649 0.9732 2061740 Enamine_002953 CCn1c(/C=C/Nc2ccccc2)[n+](CC)c3ccc(cc13)S(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G06 compound treatment 0.381 -0.0117 -0.43 0.377 -0.0164 -1.06 -1.055 -0.9209 1540678 Enamine_002954 CCOc1ccc(Br)cc1S(=O)(=O)n2cnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G07 compound treatment 0.419 0.0263 0.97 0.412 0.0186 1.2 1.5332 0.994 1229240 Enamine_002955 Clc1ccc(cc1)C(=O)COC(=O)CC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G08 compound treatment 0.4 0.00728 0.27 0.413 0.0196 1.27 1.0856 0.8378 2061741 Enamine_002956 O=C(CC#N)NC1CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G09 compound treatment 0.414 0.0213 0.78 0.412 0.0186 1.2 1.4034 0.9782 1571865 Enamine_002957 O=C(COC(=O)COc1ccccc1)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G10 compound treatment 0.461 0.0683 2.51 0.456 0.0626 4.05 4.6372 0.9734 2061742 Enamine_002958 FC(F)(F)c1cnc2Sc3ccccc3Nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G11 compound treatment 0.399 0.00628 0.23 0.401 0.00759 0.49 0.5106 0.9406 1474550 Enamine_002959 Clc1ccc(cn1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G12 compound treatment 0.408 0.0153 0.56 0.404 0.0106 0.69 0.8815 0.9951 2061743 Enamine_002960 CCC1CCCCN1C(=O)CSc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G13 compound treatment 0.424 0.0313 1.15 0.426 0.0326 2.11 2.3037 0.9592 1386105 Enamine_002961 Oc1ccc(Br)cc1C(=O)OCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G14 compound treatment 0.371 -0.0217 -0.8 0.371 -0.0224 -1.45 -1.5892 -0.9604 1663299 Enamine_002962 Oc1cccc(c1)C(=O)OCC(=O)c2cc(Cl)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G15 compound treatment 0.427 0.0343 1.26 0.423 0.0296 1.92 2.2443 0.9793 2061744 Enamine_002963 FC(F)(F)c1cccc(c1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G16 compound treatment 0.403 0.0103 0.38 0.403 0.00959 0.62 0.706 0.9716 2061745 Enamine_002964 Cc1ccccc1n2c(SCC(=O)N)nnc2c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G17 compound treatment 0.407 0.0143 0.52 0.408 0.0146 0.94 1.0386 0.9615 1539437 Enamine_002965 CC1(CC2CC(C)(C)C1)CN2C(=O)COC(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G18 compound treatment 0.416 0.0233 0.85 0.417 0.0236 1.53 1.6841 0.9624 1152837 Enamine_002966 O=C(COC(=O)c1ccccc1)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G19 compound treatment 0.395 0.00228 0.08 0.396 0.00259 0.17 0.1779 0.9485 1177641 Enamine_002967 CCC(NC(=O)c1ccccc1NC(=O)c2ccccc2)C(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G20 compound treatment 0.393 2.81E-4 0.01 0.387 -0.00641 -0.41 -0.2858 -0.6893 1242070 Enamine_002968 Cc1cc(C)n(n1)c2ccc(cc2)C(=O)Nc3cccc(C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G21 compound treatment 0.39 -0.00272 -0.1 0.389 -0.00441 -0.29 -0.2722 -0.9011 1723262 Enamine_002969 Cn1c(nc2ccccc12)c3ccc(N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G22 compound treatment 0.42 0.0273 1.0 0.414 0.0206 1.33 1.6507 0.9901 1504110 Enamine_002970 Fc1ccc(cc1)C(=O)CSc2nc3cc(Cl)ccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G23 mock treatment 0.396 0.00328 0.12 0.39 -0.00341 -0.22 -0.0707 -0.2813 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 G24 mock treatment 0.39 -0.00272 -0.1 0.373 -0.0204 -1.32 -1.0043 -0.7584 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H01 compound treatment 0.404 0.0113 0.41 0.397 0.00359 0.23 0.4574 0.9627 1188715 Enamine_002971 Clc1cc(cnc1Cl)C(=O)OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H02 compound treatment 0.4 0.00728 0.27 0.393 -4.06E-4 -0.03 0.1705 0.6345 1671067 Enamine_002972 CC1(CC2CC(C)(C)C1)CN2C(=O)COC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H03 compound treatment 0.401 0.00828 0.3 0.402 0.00859 0.56 0.6083 0.9597 2061746 Enamine_002973 COc1cccc(NC2=NC(C)(C)CS2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H04 compound treatment 0.401 0.00828 0.3 0.399 0.00559 0.36 0.471 0.9962 2061747 Enamine_002974 COc1ccc(CCNC(=O)CSc2ccccn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H05 compound treatment 0.376 -0.0167 -0.61 0.379 -0.0144 -0.93 -1.0933 -0.9795 1556684 Enamine_002975 Clc1cc(Cl)cc(c1)C(=O)NCCc2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H06 compound treatment 0.457 0.0643 2.36 0.458 0.0646 4.18 4.6248 0.9634 2061748 Enamine_002976 Fc1ccc(/C=N/c2sc3CCCc3c2C#N)cc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H07 compound treatment 0.406 0.0133 0.49 0.408 0.0146 0.94 1.0126 0.9527 1586969 Enamine_002977 O=C(COC(=O)CC1CCCC1)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H08 compound treatment 0.403 0.0103 0.38 0.401 0.00759 0.49 0.6144 0.9915 1550501 Enamine_002978 O=C(CSc1nc2ccccc2n1c3ccccc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H09 compound treatment 0.393 2.81E-4 0.01 0.398 0.00459 0.3 0.2175 0.7312 1403334 Enamine_002979 CC1CC1C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H10 compound treatment 0.421 0.0283 1.04 0.414 0.0206 1.33 1.6767 0.9924 2061749 Enamine_002980 O=C(COc1ccc(Oc2ccccc2)cc1)NCCCn3ccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H11 compound treatment 0.45 0.0573 2.1 0.453 0.0596 3.86 4.2143 0.9594 1689797 Enamine_002981 Fc1ccc(cc1)c2cc(C(=O)OCC(=O)Nc3ccccc3F)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H12 compound treatment 0.399 0.00628 0.23 0.396 0.00259 0.17 0.2818 0.9878 1769054 Enamine_002982 OC(=O)c1ccc(NC(=O)CC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H13 compound treatment 0.399 0.00628 0.23 0.411 0.0176 1.14 0.9682 0.8334 2061750 Enamine_002983 O=C(/C=C/c1cccs1)N(c2ccccc2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H14 compound treatment 0.501 0.108 3.98 0.503 0.11 7.09 7.8265 0.9626 1646476 Enamine_002984 Cc1ccc(Oc2cc(C)nc(n2)c3ccccc3O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H15 compound treatment 0.425 0.0323 1.19 0.428 0.0346 2.24 2.4212 0.9558 2061751 Enamine_002985 Cc1ccccc1C(=O)C(C#N)c2nc3ccc(cc3s2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H16 compound treatment 0.405 0.0123 0.45 0.402 0.00859 0.56 0.7121 0.9946 1345779 Enamine_002986 Cc1ccc(o1)c2cccc(NC(=O)C3C(C4CC3C=C4)C(=O)O)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H17 compound treatment 0.415 0.0223 0.82 0.422 0.0286 1.85 1.887 0.9327 1355563 Enamine_002987 Cc1nn(c2NC3CCCC(=O)C3C(=O)c12)c4cccc(Cl)c4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H18 compound treatment 0.407 0.0143 0.52 0.396 0.00259 0.17 0.4895 0.889 1686001 Enamine_002988 Brc1cccc(c1)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H19 compound treatment 0.402 0.00928 0.34 0.403 0.00959 0.62 0.68 0.9601 1317318 Enamine_002989 O=C(COc1ccccc1)OCC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H20 compound treatment 0.331 -0.0617 -2.27 0.335 -0.0584 -3.78 -4.2752 -0.9701 1330937 Enamine_002990 CCc1cc2c(=O)c(coc2cc1O)n3cnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H21 compound treatment 0.395 0.00228 0.08 0.403 0.00959 0.62 0.4982 0.7953 1698801 Enamine_002991 O=C(COC(=O)C(c1ccccc1)c2ccccc2)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H22 compound treatment 0.405 0.0123 0.45 0.404 0.0106 0.69 0.8037 0.9794 1385563 Enamine_002992 O=C(CCc1nc2ccccc2s1)OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H23 mock treatment 0.401 0.00828 0.3 0.394 5.94E-4 0.04 0.2422 0.7902 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 H24 mock treatment 0.392 -7.19E-4 -0.03 0.402 0.00859 0.56 0.3746 0.6728 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I01 compound treatment 0.405 0.0123 0.45 0.411 0.0176 1.14 1.124 0.9178 1350457 Enamine_002993 CCOc1ccccc1Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I02 compound treatment 0.424 0.0313 1.15 0.416 0.0226 1.46 1.8461 0.9929 2061752 Enamine_002994 FC(F)(F)c1cnc(NC(=O)COC(=O)c2ccccc2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I03 compound treatment 0.408 0.0153 0.56 0.408 0.0146 0.94 1.0646 0.9691 1024716 Enamine_002995 COc1ccccc1Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I04 compound treatment 0.452 0.0593 2.18 0.444 0.0506 3.27 3.8544 0.9803 1359663 Enamine_002996 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I05 compound treatment 0.428 0.0353 1.3 0.415 0.0216 1.4 1.9042 0.9993 1182281 Enamine_002997 CSc1ccccc1NC(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I06 compound treatment 0.412 0.0193 0.71 0.406 0.0126 0.81 1.0769 0.9975 2061753 Enamine_002998 COC(=O)c1cc2CCCc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I07 compound treatment 0.397 0.00428 0.16 0.397 0.00359 0.23 0.2756 0.9818 1139875 Enamine_002999 Clc1cc(Cl)cc(NC(=O)COC(=O)C2CC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I08 compound treatment 0.432 0.0393 1.44 0.432 0.0386 2.5 2.786 0.966 1122543 Enamine_003000 O=C(CC#N)Nc1ccc(Oc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I09 compound treatment 0.406 0.0133 0.49 0.411 0.0176 1.14 1.1499 0.9284 1580271 Enamine_003001 CC(C)c1ccc(cc1)C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I10 compound treatment 0.412 0.0193 0.71 0.408 0.0146 0.94 1.1684 0.9899 2061754 Enamine_003002 CC1CCCC(C)N1C(=O)CSc2nccn2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I11 compound treatment 0.452 0.0593 2.18 0.449 0.0556 3.6 4.0832 0.971 1688086 Enamine_003003 O=C(COC(=O)c1ccc(C#N)cc1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I12 compound treatment 0.416 0.0233 0.85 0.411 0.0176 1.14 1.4096 0.99 2061755 Enamine_003004 CCN(C1CCCCC1)C(=O)CSc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I13 compound treatment 0.414 0.0213 0.78 0.415 0.0216 1.4 1.5407 0.9623 1652676 Enamine_003005 Cc1ccc(s1)C(=O)OCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I14 compound treatment 0.44 0.0473 1.74 0.445 0.0516 3.34 3.5886 0.9536 2061756 Enamine_003006 Oc1cccc(/C=N/c2ccc(cc2)N3CCCCC3)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I15 compound treatment 0.401 0.00828 0.3 0.397 0.00359 0.23 0.3795 0.9912 1227375 Enamine_003007 CC1CCN(CC1)C(=O)COC(=O)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I16 compound treatment 0.431 0.0383 1.41 0.415 0.0216 1.4 1.9821 1.0 2061757 Enamine_003008 FC(F)(F)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Br)o2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I17 compound treatment 0.392 -7.19E-4 -0.03 0.396 0.00259 0.17 0.1 0.5887 2061758 Enamine_003009 Fc1ccc(NC(=O)COC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I18 compound treatment 0.443 0.0503 1.85 0.434 0.0406 2.63 3.1631 0.9851 1726107 Enamine_003010 CC1CCCC(NC(=O)COC(=O)c2cccc(Br)c2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I19 compound treatment 0.408 0.0153 0.56 0.405 0.0116 0.75 0.9273 0.9898 1501702 Enamine_003011 OC(=O)c1ccccc1OCC(=O)NCCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I20 compound treatment 0.407 0.0143 0.52 0.411 0.0176 1.14 1.1759 0.9381 1659035 Enamine_003012 COc1cccc(OCC(=O)Oc2ccc(Br)cc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I21 compound treatment 0.394 0.00128 0.05 0.4 0.00659 0.43 0.335 0.7803 2061759 Enamine_003013 c1nnc2c3cc(sc3ncn12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I22 compound treatment 0.411 0.0183 0.67 0.4 0.00659 0.43 0.7764 0.9761 1423045 Enamine_003014 Clc1cccc(c1)C(=O)COC(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I23 mock treatment 0.397 0.00428 0.16 0.401 0.00759 0.49 0.4586 0.8889 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 I24 mock treatment 0.393 2.81E-4 0.01 0.401 0.00759 0.49 0.3548 0.7218 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J01 compound treatment 0.396 0.00328 0.12 0.395 0.00159 0.1 0.1581 0.997 1479868 Enamine_003015 Clc1ccc(COC(=O)c2cc(=O)c3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J02 compound treatment 0.401 0.00828 0.3 0.392 -0.00141 -0.09 0.1507 0.4747 2061760 Enamine_003016 CN1/C(=C\C(=O)COC(=O)c2ccccc2)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J03 compound treatment 0.392 -7.19E-4 -0.03 0.394 5.94E-4 0.04 0.0085 0.1825 1116772 Enamine_003017 N#CCc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J04 compound treatment 0.396 0.00328 0.12 0.396 0.00259 0.17 0.2039 0.9868 1407594 Enamine_003018 CC1CCN(CC1)C(=O)COC(=O)c2cc(C)oc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J05 compound treatment 0.399 0.00628 0.23 0.405 0.0116 0.75 0.6936 0.8837 1702584 Enamine_003019 OC(=O)CSCC(=O)N1CCCc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J06 compound treatment 0.413 0.0203 0.74 0.406 0.0126 0.81 1.1029 0.999 1654111 Enamine_003020 Cc1cc(Nc2ccccc2)n(n1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J07 compound treatment 0.391 -0.00172 -0.06 0.399 0.00559 0.36 0.2113 0.5751 1352355 Enamine_003021 O=C(Cc1ccccc1)OCc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J08 compound treatment 0.437 0.0443 1.63 0.451 0.0576 3.73 3.7852 0.9309 1363325 Enamine_003022 Nc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(Br)cc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J09 compound treatment 0.399 0.00628 0.23 0.4 0.00659 0.43 0.4648 0.9583 1160406 Enamine_003023 O=C(COC(=O)c1ccccc1)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J10 compound treatment 0.393 2.81E-4 0.01 0.395 0.00159 0.1 0.0802 0.774 2061761 Enamine_003024 Fc1ccc(c(F)c1)S(=O)(=O)/N=C/2\CCCCCN2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J11 compound treatment 0.402 0.00928 0.34 0.4 0.00659 0.43 0.5427 0.9938 1144867 Enamine_003025 CCN(C1CCCCC1)C(=O)CSc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J12 compound treatment 0.399 0.00628 0.23 0.394 5.94E-4 0.04 0.1903 0.8137 2061762 Enamine_003026 CC(C)c1ccccc1NC2=NC(C)CS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J13 compound treatment 0.396 0.00328 0.12 0.39 -0.00341 -0.22 -0.0707 -0.2813 1378889 Enamine_003027 CN1CCCN(CC1)C(=O)c2cc(nc3ccccc23)c4ccc(C)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J14 compound treatment 0.423 0.0303 1.11 0.42 0.0266 1.72 2.0032 0.9777 1872334 Enamine_003028 Cc1ccc(cc1N)c2cnc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J15 compound treatment 0.395 0.00228 0.08 0.395 0.00159 0.1 0.1322 0.9947 1985584 Enamine_003029 Cc1nnc2c3c(csc3ncn12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J16 compound treatment 0.402 0.00928 0.34 0.395 0.00159 0.1 0.3139 0.8816 2061763 Enamine_003030 CC(=O)Nc1ccccc1C(=O)c2n[nH]nc2c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J17 compound treatment 0.399 0.00628 0.23 0.405 0.0116 0.75 0.6936 0.8837 1699529 Enamine_003031 Cc1ccc(Nc2ccccc2N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J18 compound treatment 0.427 0.0343 1.26 0.426 0.0326 2.11 2.3816 0.9696 1547913 Enamine_003032 NC(=O)COC(=O)c1sc2ccccc2c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J19 compound treatment 0.4 0.00728 0.27 0.401 0.00759 0.49 0.5365 0.9591 2061764 Enamine_003033 O=C(CSc1nnc[nH]1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J20 compound treatment 0.396 0.00328 0.12 0.396 0.00259 0.17 0.2039 0.9868 2061765 Enamine_003034 CCS(=O)(=O)c1ccc(O)c(/N=C/c2ccc[nH]2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J21 compound treatment 0.398 0.00528 0.19 0.396 0.00259 0.17 0.2558 0.9974 1300182 Enamine_003035 NC(=O)COC(=O)COc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J22 compound treatment 0.453 0.0603 2.21 0.442 0.0486 3.14 3.7888 0.9852 2061766 Enamine_003036 COc1ccccc1C(=O)COC(=O)c2ccccc2C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J23 mock treatment 0.39 -0.00272 -0.1 0.393 -4.06E-4 -0.03 -0.0892 -0.8639 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 J24 mock treatment 0.391 -0.00172 -0.06 0.392 -0.00141 -0.09 -0.109 -0.984 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K01 compound treatment 0.4 0.00728 0.27 0.397 0.00359 0.23 0.3535 0.9976 2061767 Enamine_003037 CCOc1ccccc1NC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K02 compound treatment 0.426 0.0333 1.22 0.425 0.0316 2.04 2.3099 0.9697 1699679 Enamine_003038 CN(C)c1cccc(c1)C(=O)OCC(=O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K03 compound treatment 0.446 0.0533 1.96 0.441 0.0476 3.08 3.5613 0.976 1024386 Enamine_003039 CCOc1ccc(Nc2nc3ccccc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K04 compound treatment 0.395 0.00228 0.08 0.398 0.00459 0.3 0.2694 0.8724 1479122 Enamine_003040 O=C(OCc1ccccc1)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K05 compound treatment 0.406 0.0133 0.49 0.4 0.00659 0.43 0.6466 0.9978 2061768 Enamine_003041 Clc1cccc(C(=O)OC2CCOC2=O)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K06 compound treatment 0.412 0.0193 0.71 0.41 0.0166 1.07 1.26 0.9796 1695656 Enamine_003042 O=C(c1c(nc2ccccn12)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K07 compound treatment 0.4 0.00728 0.27 0.395 0.00159 0.1 0.262 0.9142 1668710 Enamine_003043 COc1ccccc1C(=O)OCC(=O)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K08 compound treatment 0.473 0.0803 2.95 0.481 0.0876 5.67 6.0927 0.9536 2061769 Enamine_003044 Clc1ccc(/C=C/2\SC(=NC2=O)NCc3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K09 compound treatment 0.397 0.00428 0.16 0.395 0.00159 0.1 0.1841 0.9791 1266575 Enamine_003045 O=C(OC1CCOC1=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K10 compound treatment 0.41 0.0173 0.63 0.41 0.0166 1.07 1.208 0.9685 2061770 Enamine_003046 CC1CCCC(C)N1C(=O)CSc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K11 compound treatment 0.413 0.0203 0.74 0.402 0.00859 0.56 0.9199 0.9896 1178061 Enamine_003047 CC1CCCC(NC(=O)COC(=O)c2ccc3ccccc3n2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K12 compound treatment 0.408 0.0153 0.56 0.402 0.00859 0.56 0.79 1.0 1403352 Enamine_003048 CC1CCCC(C)N1C(=O)COC(=O)CSc2cc(C)ccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K13 compound treatment 0.421 0.0283 1.04 0.404 0.0106 0.69 1.2191 0.9797 2061771 Enamine_003049 FC(F)(F)c1ccc(Cl)c(NC(=O)C(OC(=O)c2cccnc2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K14 compound treatment 0.413 0.0203 0.74 0.41 0.0166 1.07 1.2859 0.984 2061772 Enamine_003050 CC(C)(C)c1ccc(/N=C/c2ccsc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K15 compound treatment 0.452 0.0593 2.18 0.46 0.0666 4.31 4.5865 0.95 2061773 Enamine_003051 O=C(COC(=O)/C=C/c1ccccc1)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K16 compound treatment 0.417 0.0243 0.89 0.407 0.0136 0.88 1.2525 1.0 1618832 Enamine_003052 Cc1cc(C)nc(SCC(=O)NC2CCCCC2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K17 compound treatment 0.46 0.0673 2.47 0.456 0.0626 4.05 4.6112 0.9719 1540091 Enamine_003053 Clc1ccc(CC(=O)OCC(=O)NC2CCCCC2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K18 compound treatment 0.438 0.0453 1.66 0.419 0.0256 1.66 2.3469 1.0 2061774 Enamine_003054 Cc1ccc(cc1)C(=O)OCC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K19 compound treatment 0.393 2.81E-4 0.01 0.399 0.00559 0.36 0.2633 0.727 1678415 Enamine_003055 O=S(=O)(NC1CCCCC1Oc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K20 compound treatment 0.409 0.0163 0.6 0.402 0.00859 0.56 0.816 0.9993 1527087 Enamine_003056 CC1CCCCN1C(=O)CSc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K21 compound treatment 0.391 -0.00172 -0.06 0.4 0.00659 0.43 0.2571 0.596 1622544 Enamine_003057 Cc1ccnc(SCC(=O)NC(c2ccccc2)c3ccccc3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K22 compound treatment 0.419 0.0263 0.97 0.426 0.0326 2.11 2.1739 0.9372 1246735 Enamine_003058 CC1Cc2ccccc2N1C(=O)COC(=O)c3cccc(C)c3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K23 mock treatment 0.392 -7.19E-4 -0.03 0.392 -0.00141 -0.09 -0.083 -0.8761 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 K24 mock treatment 0.395 0.00228 0.08 0.39 -0.00341 -0.22 -0.0966 -0.4098 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L01 compound treatment 0.44 0.0473 1.74 0.429 0.0356 2.3 2.8564 0.9903 1393436 Enamine_003059 Oc1ccc(Br)cc1C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L02 compound treatment 0.407 0.0143 0.52 0.404 0.0106 0.69 0.8556 0.9913 1557905 Enamine_003060 Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc23)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L03 compound treatment 0.406 0.0133 0.49 0.411 0.0176 1.14 1.1499 0.9284 2061775 Enamine_003061 CCN(CC)CCC/N=C\1/NCC(C)S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L04 compound treatment 0.45 0.0573 2.1 0.429 0.0356 2.3 3.1161 0.999 2061776 Enamine_003062 O=C(OCc1ccccc1)/C=C/c2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L05 compound treatment 0.414 0.0213 0.78 0.417 0.0236 1.53 1.6322 0.9516 1119856 Enamine_003063 CN1CCCN(CC1)S(=O)(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L06 compound treatment 0.416 0.0233 0.85 0.417 0.0236 1.53 1.6841 0.9624 1574097 Enamine_003064 CCc1nc2ccccc2c(C(=O)OCC(=O)c3ccccc3)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L07 compound treatment 0.404 0.0113 0.41 0.42 0.0266 1.72 1.5098 0.853 1736033 Enamine_003065 O=C(COC(=O)C1CCCCC1)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L08 compound treatment 0.402 0.00928 0.34 0.406 0.0126 0.81 0.8173 0.9252 2061777 Enamine_003066 Brc1ccc(cc1)C2SCC(=O)N2C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L09 compound treatment 0.404 0.0113 0.41 0.408 0.0146 0.94 0.9607 0.9316 1354124 Enamine_003067 Fc1cccc(Cl)c1CC(=O)OCC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L10 compound treatment 0.408 0.0153 0.56 0.392 -0.00141 -0.09 0.3325 0.5848 2061778 Enamine_003068 Fc1ccc(cc1)c2csc(Cc3nnc4CCCCCn34)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L11 compound treatment 0.406 0.0133 0.49 0.399 0.00559 0.36 0.6008 0.9892 1432128 Enamine_003069 Fc1ccc(CNC(=O)COC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L12 compound treatment 0.412 0.0193 0.71 0.414 0.0206 1.33 1.443 0.9562 2061779 Enamine_003070 COc1cccc2cc(C(=O)CBr)c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L13 compound treatment 0.405 0.0123 0.45 0.405 0.0116 0.75 0.8494 0.9703 1712181 Enamine_003071 Oc1ccc(cc1)N2CCN(CC2)C(=O)CSc3ccc4ccccc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L14 compound treatment 0.4 0.00728 0.27 0.399 0.00559 0.36 0.445 0.9889 1359073 Enamine_003072 CCC(CO)Nc1nnc(c2ccccc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L15 compound treatment 0.402 0.00928 0.34 0.405 0.0116 0.75 0.7715 0.9363 2061780 Enamine_003073 Brc1ccccc1C(=O)OCC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L16 compound treatment 0.407 0.0143 0.52 0.4 0.00659 0.43 0.6726 0.9948 2061781 Enamine_003074 FC(F)(F)C(=O)N1CC2(OC3CC2CC41CCCCC4)C=C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L17 compound treatment 0.415 0.0223 0.82 0.412 0.0186 1.2 1.4294 0.9823 1595784 Enamine_003075 CC(C)(C)C1CCc2nc(N)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L18 compound treatment 0.432 0.0393 1.44 0.438 0.0446 2.89 3.0605 0.9487 1181510 Enamine_003076 Cc1ccc2[nH]c(SCC(=O)N3CCc4ccccc34)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L19 compound treatment 0.418 0.0253 0.93 0.418 0.0246 1.59 1.7818 0.9671 2061782 Enamine_003077 Cc1cc(I)ccc1NC(=O)CSc2nnc[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L20 compound treatment 0.408 0.0153 0.56 0.408 0.0146 0.94 1.0646 0.9691 2061783 Enamine_003078 Fc1ccc(/N=C/c2ccsc2)cc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L21 compound treatment 0.424 0.0313 1.15 0.441 0.0476 3.08 2.9901 0.9096 1693602 Enamine_003079 COc1ccc(Cl)cc1NC(=O)COC(=O)CCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L22 compound treatment 0.448 0.0553 2.03 0.47 0.0766 4.96 4.9402 0.9224 2061784 Enamine_003080 Brc1ccc(cc1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L23 mock treatment 0.401 0.00828 0.3 0.399 0.00559 0.36 0.471 0.9962 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 L24 mock treatment 0.394 0.00128 0.05 0.395 0.00159 0.1 0.1062 0.9368 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M01 compound treatment 0.405 0.0123 0.45 0.399 0.00559 0.36 0.5749 0.9941 1006124 Enamine_003081 OC(=O)C1c2ccccc2-c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M02 compound treatment 0.395 0.00228 0.08 0.402 0.00859 0.56 0.4525 0.8045 2061785 Enamine_003082 CC1CC1C(=O)OCC(=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M03 compound treatment 0.404 0.0113 0.41 0.402 0.00859 0.56 0.6862 0.9895 2061786 Enamine_003083 CC(C)CNc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M04 compound treatment 0.405 0.0123 0.45 0.4 0.00659 0.43 0.6206 0.9996 1722977 Enamine_003084 Cc1cc(C)n(n1)c2ccc(cc2)C(=O)Nc3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M05 compound treatment 0.409 0.0163 0.6 0.405 0.0116 0.75 0.9533 0.9937 1518332 Enamine_003085 O=C(COC(=O)c1ccccc1)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M06 compound treatment 0.418 0.0253 0.93 0.405 0.0116 0.75 1.187 0.9944 1039435 Enamine_003086 Nc1ccc(cc1)S(=O)(=O)Nc2ccc(I)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M07 compound treatment 0.431 0.0383 1.41 0.438 0.0446 2.89 3.0346 0.9454 2061787 Enamine_003087 Cc1ccsc1C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M08 compound treatment 0.405 0.0123 0.45 0.408 0.0146 0.94 0.9867 0.9428 1677503 Enamine_003088 COc1ccc(Nc2ccccc2N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M09 compound treatment 0.414 0.0213 0.78 0.414 0.0206 1.33 1.4949 0.9677 1695042 Enamine_003089 CC(C)(C)C(=O)COC(=O)c1ccc(Cl)cc1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M10 compound treatment 0.4 0.00728 0.27 0.396 0.00259 0.17 0.3078 0.9748 1175166 Enamine_003090 COc1ccccc1C(=O)OCC(=O)N2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M11 compound treatment 0.405 0.0123 0.45 0.405 0.0116 0.75 0.8494 0.9703 1590062 Enamine_003091 Brc1cncc(c1)C(=O)OCC(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M12 compound treatment 0.41 0.0173 0.63 0.409 0.0156 1.01 1.1623 0.975 2061788 Enamine_003092 Cc1nnc2c3ccccc3c(nn12)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M13 compound treatment 0.405 0.0123 0.45 0.396 0.00259 0.17 0.4376 0.9093 1277400 Enamine_003093 O=C(COC(=O)c1ccco1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M14 compound treatment 0.401 0.00828 0.3 0.401 0.00759 0.49 0.5625 0.9734 2061789 Enamine_003094 Fc1cccc(F)c1/C=N/c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M15 compound treatment 0.4 0.00728 0.27 0.406 0.0126 0.81 0.7653 0.8923 1588245 Enamine_003095 Fc1cccc(Cl)c1CC(=O)OCC(=O)NCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M16 compound treatment 0.414 0.0213 0.78 0.414 0.0206 1.33 1.4949 0.9677 1289657 Enamine_003096 CCN(CC)c1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M17 compound treatment 0.404 0.0113 0.41 0.399 0.00559 0.36 0.5489 0.9977 1555154 Enamine_003097 CN(C1CCCCC1)C(=O)COC(=O)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M18 compound treatment 0.411 0.0183 0.67 0.401 0.00759 0.49 0.8222 0.9882 2061790 Enamine_003098 Clc1ccc(/C=C/C(=O)OCC(=O)N2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M19 compound treatment 0.394 0.00128 0.05 0.396 0.00259 0.17 0.152 0.8717 2061791 Enamine_003099 Cc1sc2n3C(C=CSc3nc(=O)c2c1C)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M20 compound treatment 0.405 0.0123 0.45 0.402 0.00859 0.56 0.7121 0.9946 1704733 Enamine_003100 CCN(Cc1ccncc1)C(=O)CSc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M21 compound treatment 0.398 0.00528 0.19 0.391 -0.00241 -0.16 0.027 0.1087 1616292 Enamine_003101 NC(=O)CSc1nc2cc(Cl)ccc2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M22 compound treatment 0.437 0.0443 1.63 0.401 0.00759 0.49 1.4973 0.8814 2061792 Enamine_003102 Cc1ccsc1C(=O)OCC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M23 mock treatment 0.39 -0.00272 -0.1 0.398 0.00459 0.3 0.1396 0.4452 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 M24 mock treatment 0.391 -0.00172 -0.06 0.393 -4.06E-4 -0.03 -0.0632 -0.9246 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N01 compound treatment 0.406 0.0133 0.49 0.402 0.00859 0.56 0.7381 0.9979 1154915 Enamine_003103 O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N02 compound treatment 0.397 0.00428 0.16 0.397 0.00359 0.23 0.2756 0.9818 1386214 Enamine_003104 Fc1ccc(COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N03 compound treatment 0.394 0.00128 0.05 0.402 0.00859 0.56 0.4265 0.7642 2061793 Enamine_003105 CCC1CSC(=N1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N04 compound treatment 0.386 -0.00672 -0.25 0.388 -0.00541 -0.35 -0.4218 -0.9854 2061794 Enamine_003106 FC(F)(F)c1cccc(c1)C(=O)COC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N05 compound treatment 0.523 0.13 4.78 0.526 0.133 8.58 9.4502 0.9619 2061795 Enamine_003107 O=C(Nc1ccc(Nc2ccccc2)cc1)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N06 compound treatment 0.421 0.0283 1.04 0.419 0.0256 1.66 1.9055 0.9747 2061796 Enamine_003108 Fc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N07 compound treatment 0.403 0.0103 0.38 0.395 0.00159 0.1 0.3399 0.8684 1493064 Enamine_003109 CC1Cc2ccccc2N1C(=O)COC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N08 compound treatment 0.401 0.00828 0.3 0.392 -0.00141 -0.09 0.1507 0.4747 2061797 Enamine_003110 CC(C)N1C(=O)C(O)(CC(=O)c2ccccc2Br)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N09 compound treatment 0.465 0.0723 2.65 0.464 0.0706 4.57 5.1071 0.9666 1132534 Enamine_003111 O=C(COc1ccccc1)OC(C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N10 compound treatment 0.422 0.0293 1.08 0.427 0.0336 2.17 2.2975 0.9473 2061798 Enamine_003112 Br/C(=C\c1ccccc1)/C=N/c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N11 compound treatment 0.395 0.00228 0.08 0.4 0.00659 0.43 0.361 0.8301 1257710 Enamine_003113 O=C(CSc1ccccn1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N12 compound treatment 0.397 0.00428 0.16 0.397 0.00359 0.23 0.2756 0.9818 2061799 Enamine_003114 CCN1CCc2nc3ccccc3c(C(=O)O)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N13 compound treatment 0.406 0.0133 0.49 0.402 0.00859 0.56 0.7381 0.9979 2061800 Enamine_003115 Cc1ccc(cc1)C(CC(=O)c2ccco2)SCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N14 compound treatment 0.46 0.0673 2.47 0.484 0.0906 5.86 5.8925 0.9262 2061801 Enamine_003116 Fc1ccc(cc1)C(=O)Nc2sc3CCCc3c2C(=O)NCc4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N15 compound treatment 0.447 0.0543 1.99 0.436 0.0426 2.76 3.3585 0.9873 1247176 Enamine_003117 Cc1nc2ccccc2n1CC(=O)OCc3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N16 compound treatment 0.548 0.155 5.7 0.533 0.14 9.03 10.4196 0.9754 2061802 Enamine_003118 CC(C)CN1C(=O)/C(=C/2\C(=O)Nc3ccccc23)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N17 compound treatment 0.399 0.00628 0.23 0.404 0.0106 0.69 0.6479 0.8957 2061803 Enamine_003119 Cc1cc(C)n(n1)C(=O)Cc2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N18 compound treatment 0.404 0.0113 0.41 0.398 0.00459 0.3 0.5031 0.9867 2061804 Enamine_003120 FC(F)(F)c1ccccc1C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N19 compound treatment 0.43 0.0373 1.37 0.425 0.0316 2.04 2.4137 0.981 2061805 Enamine_003121 COc1ccc(cc1)C(=O)COC(=O)/C=C/c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N20 compound treatment 0.399 0.00628 0.23 0.397 0.00359 0.23 0.3275 1.0 2061806 Enamine_003122 Fc1ccc(/N=C/c2ccncc2)cc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N21 compound treatment 0.402 0.00928 0.34 0.411 0.0176 1.14 1.0461 0.8802 1434579 Enamine_003123 Brc1ccc(CC(=O)OCC(=O)NCC2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N22 compound treatment 0.393 2.81E-4 0.01 0.393 -4.06E-4 -0.03 -0.0113 -0.3996 1489154 Enamine_003124 O=C(COC(=O)C(c1ccccc1)c2ccccc2)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N23 mock treatment 0.392 -7.19E-4 -0.03 0.397 0.00359 0.23 0.1458 0.6229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 N24 mock treatment 0.389 -0.00372 -0.14 0.393 -4.06E-4 -0.03 -0.1152 -0.828 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O01 compound treatment 0.387 -0.00572 -0.21 0.396 0.00259 0.17 -0.0298 -0.1109 2061807 Enamine_003125 CC(C)CNC1=NCCCS1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O02 compound treatment 0.403 0.0103 0.38 0.404 0.0106 0.69 0.7517 0.9605 1734659 Enamine_003126 O=C(COc1ncnc2ccccc12)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O03 compound treatment 0.392 -7.19E-4 -0.03 0.397 0.00359 0.23 0.1458 0.6229 2061808 Enamine_003127 O=C1CSC(=N1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O04 compound treatment 0.511 0.118 4.34 0.505 0.112 7.22 8.1777 0.9704 2061809 Enamine_003128 Cc1cc(C)n(n1)c2ccc(cc2)C(=O)Nc3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O05 compound treatment 0.4 0.00728 0.27 0.4 0.00659 0.43 0.4908 0.9747 1701145 Enamine_003129 COc1cccc(c1)C(=O)OCC(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O06 compound treatment 0.532 0.139 5.11 0.518 0.125 8.06 9.3178 0.9759 2061810 Enamine_003130 CN(C)c1ccc(/C=C/2\SC(=S)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O07 compound treatment 0.408 0.0153 0.56 0.394 5.94E-4 0.04 0.424 0.7538 2061811 Enamine_003131 CC1CCCC(NC(=O)COC(=O)c2ccccc2C(F)(F)F)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O08 compound treatment 0.393 2.81E-4 0.01 0.407 0.0136 0.88 0.6293 0.7154 1676417 Enamine_003132 COc1ccc(NC(=O)CC#N)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O09 compound treatment 0.403 0.0103 0.38 0.396 0.00259 0.17 0.3857 0.9334 2061812 Enamine_003133 CCOC(=O)C1CCN(CC1)C(=O)/C=C/c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O10 compound treatment 0.397 0.00428 0.16 0.399 0.00559 0.36 0.3671 0.9303 1177761 Enamine_003134 CC1CCCC(C)N1C(=O)COC(=O)CCC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O11 compound treatment 0.393 2.81E-4 0.01 0.393 -4.06E-4 -0.03 -0.0113 -0.3996 1706578 Enamine_003135 O=C(COC(=O)c1ccco1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O12 compound treatment 0.404 0.0113 0.41 0.408 0.0146 0.94 0.9607 0.9316 1257096 Enamine_003136 O=c1n(cnc2sc(cc12)c3ccccc3)n4cccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O13 compound treatment 0.416 0.0233 0.85 0.405 0.0116 0.75 1.135 0.9979 1679730 Enamine_003137 O=C(COC(=O)c1cccs1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O14 compound treatment 0.396 0.00328 0.12 0.4 0.00659 0.43 0.3869 0.8727 2061813 Enamine_003138 Clc1ncccc1/N=C/c2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O15 compound treatment 0.463 0.0703 2.58 0.474 0.0806 5.22 5.5128 0.9474 2061814 Enamine_003139 Cc1ccc(s1)C(=O)OCC(=O)NCc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O16 compound treatment 0.409 0.0163 0.6 0.394 5.94E-4 0.04 0.4499 0.751 1277256 Enamine_003140 CC1CCCC(NC(=O)COC(=O)CC2CCCC2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O17 compound treatment 0.393 2.81E-4 0.01 0.392 -0.00141 -0.09 -0.057 -0.6229 1188442 Enamine_003141 O=C(COc1ccccc1)OCc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O18 compound treatment 0.4 0.00728 0.27 0.4 0.00659 0.43 0.4908 0.9747 2061815 Enamine_003142 COc1ccc(/C=C/C(=O)OCc2ccccc2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O19 compound treatment 0.391 -0.00172 -0.06 0.389 -0.00441 -0.29 -0.2463 -0.8432 2061816 Enamine_003143 Cc1cc(C)n(n1)C(=O)Cc2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O20 compound treatment 0.4 0.00728 0.27 0.395 0.00159 0.1 0.262 0.9142 1213282 Enamine_003144 Cc1cc(C)n(n1)c2ccc(cc2)C(=O)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O21 compound treatment 0.397 0.00428 0.16 0.402 0.00859 0.56 0.5044 0.8728 1270994 Enamine_003145 O=C(COC(=O)c1ccccc1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O22 compound treatment 0.4 0.00728 0.27 0.403 0.00959 0.62 0.6281 0.9291 2061817 Enamine_003146 Fc1ccc(/C=C/C(=O)OCC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O23 mock treatment 0.39 -0.00272 -0.1 0.395 0.00159 0.1 0.0023 0.0162 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 O24 mock treatment 0.394 0.00128 0.05 0.392 -0.00141 -0.09 -0.0311 -0.3034 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P01 compound treatment 0.395 0.00228 0.08 0.395 0.00159 0.1 0.1322 0.9947 1266267 Enamine_003147 O=C(COC(=O)c1n[nH]c2ccccc12)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P02 compound treatment 0.398 0.00528 0.19 0.401 0.00759 0.49 0.4846 0.9173 1527095 Enamine_003148 Clc1ccc(cc1)n2c(nc3ccccc3c2=O)c4ccncc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P03 compound treatment 0.405 0.0123 0.45 0.403 0.00959 0.62 0.7579 0.9877 2061818 Enamine_003149 CC1CN/C(=N\C2CCCCC2)/S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P04 compound treatment 0.385 -0.00772 -0.28 0.388 -0.00541 -0.35 -0.4478 -0.9945 1638096 Enamine_003150 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)Nc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P05 compound treatment 0.403 0.0103 0.38 0.404 0.0106 0.69 0.7517 0.9605 2061819 Enamine_003151 Cc1nn2cc(nc2s1)c3ccc(cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P06 compound treatment 0.398 0.00528 0.19 0.398 0.00459 0.3 0.3473 0.9786 1560533 Enamine_003152 O=C(COC(=O)c1ccccc1)NCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P07 compound treatment 0.41 0.0173 0.63 0.406 0.0126 0.81 1.025 0.9923 2061820 Enamine_003153 Fc1ccccc1C(=O)COC(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P08 compound treatment 0.395 0.00228 0.08 0.395 0.00159 0.1 0.1322 0.9947 2061821 Enamine_003154 Fc1ccc(cc1)S(=O)(=O)Nc2ccccc2NC(=O)C3CCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P09 compound treatment 0.412 0.0193 0.71 0.414 0.0206 1.33 1.443 0.9562 1466585 Enamine_003155 Clc1c(sc2ccccc12)C(=O)OCC(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P10 compound treatment 0.442 0.0493 1.81 0.45 0.0566 3.66 3.8693 0.9472 2061822 Enamine_003156 COC(=O)c1ccc(/N=C/C(=C/c2ccccc2)/Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P11 compound treatment 0.406 0.0133 0.49 0.407 0.0136 0.88 0.9669 0.9613 1110600 Enamine_003157 O=C(COC(=O)c1ccccc1)c2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P12 compound treatment 0.393 2.81E-4 0.01 0.398 0.00459 0.3 0.2175 0.7312 2061823 Enamine_003158 OC(=O)C1CCCCC1C(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P13 compound treatment 0.394 0.00128 0.05 0.4 0.00659 0.43 0.335 0.7803 1589262 Enamine_003159 CCc1ccc(NS(=O)(=O)c2cccs2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P14 compound treatment 0.388 -0.00472 -0.17 0.39 -0.00341 -0.22 -0.2784 -0.9929 1646348 Enamine_003160 OC(=O)c1cccc(c1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P15 compound treatment 0.4 0.00728 0.27 0.402 0.00859 0.56 0.5823 0.9437 2061824 Enamine_003161 Clc1ccc(COC(=O)CC2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P16 compound treatment 0.398 0.00528 0.19 0.399 0.00559 0.36 0.3931 0.9572 2061825 Enamine_003162 COc1ccccc1C(=O)COC(=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P17 compound treatment 0.392 -7.19E-4 -0.03 0.402 0.00859 0.56 0.3746 0.6728 1149569 Enamine_003163 Cc1nc2sccn2c1C(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P18 compound treatment 0.401 0.00828 0.3 0.389 -0.00441 -0.29 0.0134 0.0322 1683761 Enamine_003164 COc1ccc(cc1)C(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P19 compound treatment 0.402 0.00928 0.34 0.404 0.0106 0.69 0.7258 0.948 1713561 Enamine_003165 CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P20 compound treatment 0.407 0.0143 0.52 0.4 0.00659 0.43 0.6726 0.9948 2061826 Enamine_003166 Cc1ccc(/C=N/c2cc(Cl)ccc2O)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P21 compound treatment 0.392 -7.19E-4 -0.03 0.387 -0.00641 -0.41 -0.3118 -0.7506 2061827 Enamine_003167 CCOC(=O)c1nn(cc1O)c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P22 compound treatment 0.389 -0.00372 -0.14 0.393 -4.06E-4 -0.03 -0.1152 -0.828 2061828 Enamine_003168 COc1ccc(/C=C/C(=O)OCC(=O)NC2CCCC(C)C2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P23 mock treatment 0.398 0.00528 0.19 0.394 5.94E-4 0.04 0.1643 0.831 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1402 P24 mock treatment 0.387 -0.00572 -0.21 0.4 0.00659 0.43 0.1532 0.3222 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A01 compound treatment 0.375 -0.019 -0.7 0.385 -0.00858 -0.56 -0.8868 -0.9935 2061829 Enamine_003169 COc1cc(/C=C/C(=O)NC2(CC3CC4CC(C3)C2)C4)cc(OC)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A02 compound treatment 0.391 -0.00303 -0.11 0.399 0.00542 0.35 0.1693 0.46 1255866 Enamine_003170 COc1ccccc1C(=O)OCC(=O)c2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A03 compound treatment 0.374 -0.02 -0.74 0.365 -0.0286 -1.85 -1.8279 -0.9184 2061830 Enamine_003171 CCC(C)c1ccc(N/C(=N/O)/c2ccc(OC)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A04 compound treatment 0.394 -3.12E-5 0.0 0.391 -0.00258 -0.17 -0.1189 -0.7119 1228899 Enamine_003172 Fc1ccccc1C2(CCCC2)C(=O)OCC(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A05 compound treatment 0.395 9.69E-4 0.04 0.395 0.00142 0.09 0.0901 0.9148 2061831 Enamine_003173 CSc1ncccc1C(=O)OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A06 compound treatment 0.393 -0.00103 -0.04 0.393 -5.81E-4 -0.04 -0.0533 -1.0 2061832 Enamine_003174 Cc1ccnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A07 compound treatment 0.399 0.00497 0.18 0.377 -0.0166 -1.07 -0.6297 -0.5786 2061833 Enamine_003175 Fc1c(F)c(F)c(/C=N/c2ccccc2N3CCOCC3)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A08 compound treatment 0.42 0.026 0.95 0.433 0.0394 2.55 2.4781 0.9099 2061834 Enamine_003176 CC1CN(CC(C)O1)C(=O)/C=C/c2cn(nc2c3ccc(Cl)cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A09 compound treatment 0.429 0.035 1.28 0.437 0.0434 2.81 2.8948 0.937 2061835 Enamine_003177 Cc1ccc(/C=N/c2ccccc2Br)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A10 compound treatment 0.398 0.00397 0.15 0.399 0.00542 0.35 0.351 0.9243 2061836 Enamine_003178 Cc1cc(OCc2nnc3CCCCCn23)ccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A11 compound treatment 0.407 0.013 0.48 0.406 0.0124 0.8 0.905 0.9688 2061837 Enamine_003179 NC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc3CCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A12 compound treatment 0.401 0.00697 0.26 0.398 0.00442 0.29 0.3832 0.9985 2061838 Enamine_003180 OC(CNCc1ccc(Cl)cc1)COc2ccc(F)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A13 compound treatment 0.371 -0.023 -0.85 0.37 -0.0236 -1.53 -1.677 -0.9612 2061839 Enamine_003181 Oc1cccc(/N=C/c2c[nH]c3ccc(Br)cc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A14 compound treatment 0.382 -0.012 -0.44 0.388 -0.00558 -0.36 -0.5678 -0.995 1430671 Enamine_003182 OC(CNCc1ccccc1)COCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A15 compound treatment 0.386 -0.00803 -0.29 0.385 -0.00858 -0.56 -0.6012 -0.9562 2061840 Enamine_003183 Cc1cc(/N=C/c2ccc3ncccc3c2)ccc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A16 compound treatment 0.388 -0.00603 -0.22 0.393 -5.81E-4 -0.04 -0.1832 -0.8154 1575284 Enamine_003184 O=C(COC(=O)c1ccccc1)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A17 compound treatment 0.392 -0.00203 -0.07 0.385 -0.00858 -0.56 -0.4454 -0.795 1562531 Enamine_003185 Cc1cc(C)c(NC(=O)COC(=O)C2CCC(=O)N2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A18 compound treatment 0.388 -0.00603 -0.22 0.39 -0.00358 -0.23 -0.3205 -0.9997 2061841 Enamine_003186 CC(OC(=O)c1cc(C)oc1C)C(=O)Nc2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A19 compound treatment 0.394 -3.12E-5 0.0 0.392 -0.00158 -0.1 -0.0731 -0.715 2061842 Enamine_003187 Cc1ccc(NC2=NC(=O)CS2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A20 compound treatment 0.388 -0.00603 -0.22 0.39 -0.00358 -0.23 -0.3205 -0.9997 1353466 Enamine_003188 O=C(COC(=O)c1cc(nc2ccccc12)c3ccccc3)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A21 compound treatment 0.383 -0.011 -0.41 0.391 -0.00258 -0.17 -0.4045 -0.9232 2061843 Enamine_003189 Clc1ccc(CNC(=O)CSc2ncccn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A22 compound treatment 0.388 -0.00603 -0.22 0.39 -0.00358 -0.23 -0.3205 -0.9997 2061844 Enamine_003190 CCN(C(=O)CSc1nnc[nH]1)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A23 mock treatment 0.385 -0.00903 -0.33 0.389 -0.00458 -0.3 -0.4441 -0.9984 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 A24 mock treatment 0.39 -0.00403 -0.15 0.389 -0.00458 -0.3 -0.3143 -0.9485 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B01 compound treatment 0.409 0.015 0.55 0.403 0.00942 0.61 0.8197 0.9987 1253282 Enamine_003191 O=C(N1CCN(CC1)c2ccccc2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B02 compound treatment 0.408 0.014 0.51 0.407 0.0134 0.87 0.9768 0.9685 2061845 Enamine_003192 CC(NC(=O)CSc1cc(C)ccc1C)C(N2CCCC2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B03 compound treatment 0.414 0.02 0.73 0.411 0.0174 1.13 1.3156 0.9783 2061846 Enamine_003193 Cc1cc(Br)ccc1NC(=O)CC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B04 compound treatment 0.409 0.015 0.55 0.407 0.0134 0.87 1.0027 0.9757 2061847 Enamine_003194 Brc1ccc(/C=C/C(=O)OCC(=O)N2CCc3ccccc23)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B05 compound treatment 0.413 0.019 0.7 0.407 0.0134 0.87 1.1066 0.994 2061848 Enamine_003195 Cc1n[nH]c2NC3=C(C(c4cccs4)c12)C(=O)CCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B06 compound treatment 0.402 0.00797 0.29 0.405 0.0114 0.74 0.7294 0.9178 1221191 Enamine_003196 O=C(Nc1sc2CCCCc2c1CN3CCOCC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B07 compound treatment 0.413 0.019 0.7 0.402 0.00842 0.54 0.8778 0.9926 1366815 Enamine_003197 Fc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B08 compound treatment 0.411 0.017 0.62 0.407 0.0134 0.87 1.0547 0.9867 1870430 Enamine_003198 Cc1c(OCC(=O)NCc2ccccc2Cl)ccc3c4CCCc4c(=O)oc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B09 compound treatment 0.413 0.019 0.7 0.411 0.0174 1.13 1.2896 0.9732 2061849 Enamine_003199 COc1ccc2c(=O)c(coc2c1)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B10 compound treatment 0.41 0.016 0.59 0.417 0.0234 1.52 1.4863 0.9146 1351769 Enamine_003200 CC(=C(C#N)c1nc2ccccc2[nH]1)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B11 compound treatment 0.401 0.00697 0.26 0.4 0.00642 0.42 0.4747 0.9729 2061850 Enamine_003201 CC1(C)C2CCC1(CS(=O)(=O)Nc3cccc(c3)C(F)(F)F)C(=O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B12 compound treatment 0.412 0.018 0.66 0.407 0.0134 0.87 1.0806 0.9908 2061851 Enamine_003202 CC1Cc2ccccc2N1C(=O)COC(=O)c3ccc(Cl)c(N)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B13 compound treatment 0.503 0.109 4.0 0.482 0.0884 5.72 6.8754 0.9847 2061852 Enamine_003203 COc1ccc(NCc2csc(n2)c3ccccc3)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B14 compound treatment 0.403 0.00897 0.33 0.398 0.00442 0.29 0.4351 0.9975 1449957 Enamine_003204 CC(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc2ccc(F)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B15 compound treatment 0.405 0.011 0.4 0.401 0.00742 0.48 0.6243 0.9962 1455862 Enamine_003205 COc1ccccc1C(=O)COC(=O)Cc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B16 compound treatment 0.41 0.016 0.59 0.407 0.0134 0.87 1.0287 0.9817 2061853 Enamine_003206 Cc1nn(c2NC3=C(C(c4ccsc4)c12)C(=O)CCC3)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B17 compound treatment 0.438 0.044 1.61 0.437 0.0434 2.81 3.1285 0.9654 1679467 Enamine_003207 CCc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B18 compound treatment 0.41 0.016 0.59 0.401 0.00742 0.48 0.7541 0.9951 1210000 Enamine_003208 O=C(COC(=O)c1ccccc1)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B19 compound treatment 0.405 0.011 0.4 0.411 0.0174 1.13 1.0819 0.9038 2061854 Enamine_003209 O/C(=C/1\C(=O)Nc2ccccc12)/C(=O)Nc3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B20 compound treatment 0.402 0.00797 0.29 0.403 0.00942 0.61 0.6379 0.9435 1451289 Enamine_003210 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B21 compound treatment 0.405 0.011 0.4 0.403 0.00942 0.61 0.7158 0.9798 1625434 Enamine_003211 Cc1ccc(cc1)n2cnc3scc(c4cccs4)c3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B22 compound treatment 0.421 0.027 0.99 0.416 0.0224 1.45 1.7261 0.9827 1220681 Enamine_003212 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B23 mock treatment 0.4 0.00597 0.22 0.397 0.00342 0.22 0.3115 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 B24 mock treatment 0.396 0.00197 0.07 0.711 0.317 20.54 14.5756 0.7096 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C01 compound treatment 0.381 -0.013 -0.48 0.377 -0.0166 -1.07 -1.0971 -0.9338 2061855 Enamine_003213 Brc1ccc2oc(=N)c(cc2c1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C02 compound treatment 0.384 -0.01 -0.37 0.379 -0.0146 -0.94 -0.9277 -0.9158 1732672 Enamine_003214 CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C03 compound treatment 0.474 0.08 2.94 0.477 0.0834 5.4 5.8936 0.959 2061856 Enamine_003215 COc1ccc(N)cc1/N=C/c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C04 compound treatment 0.388 -0.00603 -0.22 0.383 -0.0106 -0.68 -0.6408 -0.8904 2061857 Enamine_003216 O=C(CSc1nc2ccccc2c(=O)n1c3ccccc3)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C05 compound treatment 0.383 -0.011 -0.41 0.38 -0.0136 -0.88 -0.9079 -0.9382 2061858 Enamine_003217 O=C(Cc1ccsc1)OCC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C06 compound treatment 0.459 0.065 2.39 0.457 0.0634 4.1 4.589 0.9667 2061859 Enamine_003218 O=C(COc1ccc(Oc2ccccc2)cc1)N3CCN(Cc4ccccc4)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C07 compound treatment 0.386 -0.00803 -0.29 0.39 -0.00358 -0.23 -0.3724 -0.9929 2061860 Enamine_003219 Oc1cccc(/N=C/c2ccc(cc2)N3CCOCC3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C08 compound treatment 0.522 0.128 4.7 0.511 0.117 7.6 8.6958 0.9733 2061861 Enamine_003220 Oc1ccc(/N=C/c2ccc[nH]2)cc1/N=C/c3ccc[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C09 compound treatment 0.475 0.081 2.97 0.476 0.0824 5.33 5.8738 0.9619 2061862 Enamine_003221 Cc1ccc(/C=N/c2ccc(F)c(F)c2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C10 compound treatment 0.383 -0.011 -0.41 0.384 -0.00958 -0.62 -0.7248 -0.9787 2061863 Enamine_003222 CCN1CCN(CC1)C(=O)C2=COCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C11 compound treatment 0.431 0.037 1.36 0.429 0.0354 2.29 2.5807 0.9687 2061864 Enamine_003223 NC(=O)c1c(/N=C/C(=C/c2ccccc2)/Br)sc3CCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C12 compound treatment 0.388 -0.00603 -0.22 0.385 -0.00858 -0.56 -0.5492 -0.9188 2061865 Enamine_003224 CC1=CC(=O)/C(=C\Nc2ccc(F)cc2)/C(=O)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C13 compound treatment 0.41 0.016 0.59 0.406 0.0124 0.8 0.9829 0.988 2061866 Enamine_003225 Brc1ccc(cc1)C(=O)Nc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C14 compound treatment 0.393 -0.00103 -0.04 0.391 -0.00258 -0.17 -0.1449 -0.846 2061867 Enamine_003226 CC(C)(C)c1ccc(/N=C/c2ccccn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C15 compound treatment 0.413 0.019 0.7 0.406 0.0124 0.8 1.0608 0.9975 1126118 Enamine_003227 CC1CCCC(NC(=O)COC(=O)c2n[nH]c3ccccc23)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C16 compound treatment 0.41 0.016 0.59 0.406 0.0124 0.8 0.9829 0.988 2061868 Enamine_003228 O=C(COC(=O)/C=C/c1cn(nc1c2ccccc2)c3ccccc3)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C17 compound treatment 0.392 -0.00203 -0.07 0.392 -0.00158 -0.1 -0.1251 -0.988 1366987 Enamine_003229 Brc1ccc(OCC(=O)OCC(=O)N2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C18 compound treatment 0.39 -0.00403 -0.15 0.391 -0.00258 -0.17 -0.2228 -0.9982 2061869 Enamine_003230 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C19 compound treatment 0.396 0.00197 0.07 0.406 0.0124 0.8 0.6194 0.7676 2061870 Enamine_003231 CN(C)C(=O)/C=C/c1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C20 compound treatment 0.402 0.00797 0.29 0.391 -0.00258 -0.17 0.0888 0.2637 1261568 Enamine_003232 CC1CCCC(NC(=O)COC(=O)c2cccc(C)c2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C21 compound treatment 0.378 -0.016 -0.59 0.381 -0.0126 -0.81 -0.9919 -0.9873 1547057 Enamine_003233 CC(C)(C)C(=O)COC(=O)c1ccccc1C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C22 compound treatment 0.381 -0.013 -0.48 0.382 -0.0116 -0.75 -0.8683 -0.9765 1412503 Enamine_003234 CSc1ccc(Cl)c(c1)C(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C23 mock treatment 0.375 -0.019 -0.7 0.374 -0.0196 -1.27 -1.3901 -0.9607 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 C24 mock treatment 0.377 -0.017 -0.63 0.383 -0.0106 -0.68 -0.9264 -0.999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D01 compound treatment 0.405 0.011 0.4 0.406 0.0124 0.8 0.8531 0.949 1405516 Enamine_003235 Brc1ccccc1C(=O)N2CCN(CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D02 compound treatment 0.395 9.69E-4 0.04 0.397 0.00342 0.22 0.1816 0.8104 2061871 Enamine_003236 CC(N(C(=O)c1ccc(C#N)cc1)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D03 compound treatment 0.395 9.69E-4 0.04 0.401 0.00742 0.48 0.3647 0.7574 1553359 Enamine_003237 CC(NC(=O)CC1CCCCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D04 compound treatment 0.418 0.024 0.88 0.418 0.0244 1.58 1.7398 0.9618 2061872 Enamine_003238 CC(OC(=O)/C=C/c1ccco1)C(=O)Nc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D05 compound treatment 0.399 0.00497 0.18 0.403 0.00942 0.61 0.56 0.8802 1190394 Enamine_003239 Clc1ccc(cn1)C(=O)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D06 compound treatment 0.363 -0.031 -1.14 0.363 -0.0306 -1.98 -2.2051 -0.9656 1095667 Enamine_003240 N(c1ccccc1)c2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D07 compound treatment 0.407 0.013 0.48 0.399 0.00542 0.35 0.5847 0.9887 2061873 Enamine_003241 CN(C(=O)COC(=O)C1(CCCC1)c2ccc(F)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D08 compound treatment 0.401 0.00697 0.26 0.4 0.00642 0.42 0.4747 0.9729 2061874 Enamine_003242 CC(=C(C#N)c1nc2ccccc2n1C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D09 compound treatment 0.407 0.013 0.48 0.396 0.00242 0.16 0.4475 0.8926 1621192 Enamine_003243 Cc1ccccc1CN2C(=O)C(O)(CC(=O)c3ccccc3O)c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D10 compound treatment 0.416 0.022 0.81 0.42 0.0264 1.71 1.7793 0.9412 2061875 Enamine_003244 N#CC(=C1CCCC1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D11 compound treatment 0.402 0.00797 0.29 0.4 0.00642 0.42 0.5007 0.9853 1165903 Enamine_003245 NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D12 compound treatment 0.42 0.026 0.95 0.421 0.0274 1.77 1.929 0.9576 2061876 Enamine_003246 CCN1C(=O)/C(=N/n2cnnc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D13 compound treatment 0.413 0.019 0.7 0.4 0.00642 0.42 0.7863 0.9695 2061877 Enamine_003247 Cc1cc(/N=C/c2ccc(cc2)N3CCOCC3)ccc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D14 compound treatment 0.393 -0.00103 -0.04 0.403 0.00942 0.61 0.4042 0.6619 2061878 Enamine_003248 COc1ccccc1C(=O)OCc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D15 compound treatment 0.394 -3.12E-5 0.0 0.394 4.19E-4 0.03 0.0184 0.6766 1510157 Enamine_003249 Clc1ccc(OCC(=O)OCC(=O)N2CCc3ccccc3C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D16 compound treatment 0.427 0.033 1.21 0.415 0.0214 1.39 1.8362 0.9977 1485848 Enamine_003250 CC(C)CNc1oc(nc1C#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D17 compound treatment 0.397 0.00297 0.11 0.434 0.0404 2.62 1.9266 0.7359 1140760 Enamine_003251 Cc1cc(NC2CCCCC2)nc(n1)c3ccccc3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D18 compound treatment 0.398 0.00397 0.15 0.4 0.00642 0.42 0.3968 0.9013 1421707 Enamine_003252 O=C(COC(=O)c1ccc2ccccc2n1)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D19 compound treatment 0.396 0.00197 0.07 0.401 0.00742 0.48 0.3906 0.8045 1587881 Enamine_003253 CCCCC(=C1C(=O)CCCC1=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D20 compound treatment 0.433 0.039 1.43 0.435 0.0414 2.68 2.9072 0.9568 2061879 Enamine_003254 O=C(Nc1ccccc1)c2c3CCCc3nc4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D21 compound treatment 0.393 -0.00103 -0.04 0.403 0.00942 0.61 0.4042 0.6619 2061880 Enamine_003255 CN1C(=O)/C(=C\Nc2sc3CCCCc3c2C#N)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D22 compound treatment 0.39 -0.00403 -0.15 0.39 -0.00358 -0.23 -0.2685 -0.9766 2061881 Enamine_003256 Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc2cc(F)ccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D23 mock treatment 0.395 9.69E-4 0.04 0.396 0.00242 0.16 0.1359 0.8462 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 D24 mock treatment 0.388 -0.00603 -0.22 0.389 -0.00458 -0.3 -0.3662 -0.9897 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E01 compound treatment 0.409 0.015 0.55 0.404 0.0104 0.67 0.8655 0.9949 2061882 Enamine_003257 Cc1ccc(/N=C/c2ccc[nH]2)c(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E02 compound treatment 0.406 0.012 0.44 0.402 0.00842 0.54 0.696 0.9943 1178167 Enamine_003258 O=C(CCC(=O)c1cccs1)OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E03 compound treatment 0.45 0.056 2.06 0.448 0.0544 3.52 3.9434 0.9671 2061883 Enamine_003259 C(=N/c1cccc(/N=C\c2ccsc2)c1)\c3ccsc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E04 compound treatment 0.404 0.00997 0.37 0.398 0.00442 0.29 0.4611 0.9925 1325886 Enamine_003260 Fc1ccccc1C2(CCCC2)C(=O)OCC(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E05 compound treatment 0.436 0.042 1.54 0.437 0.0434 2.81 3.0766 0.96 1153834 Enamine_003261 CC1CCCC(NC(=O)COC(=O)c2ccccc2F)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E06 compound treatment 0.438 0.044 1.61 0.432 0.0384 2.49 2.8997 0.9782 1495933 Enamine_003262 CCc1ccc(OCC(=O)OCC(=O)N2CCc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E07 compound treatment 0.435 0.041 1.5 0.422 0.0284 1.84 2.3642 0.995 2061884 Enamine_003263 Fc1ccc(/N=C/c2ccco2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E08 compound treatment 0.41 0.016 0.59 0.4 0.00642 0.42 0.7084 0.9857 2061885 Enamine_003264 Cc1ccc(/N=C/c2ccc3ncccc3c2)c(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E09 compound treatment 0.406 0.012 0.44 0.396 0.00242 0.16 0.4215 0.9034 2061886 Enamine_003265 O=C(OCc1ccccc1)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E10 compound treatment 0.406 0.012 0.44 0.405 0.0114 0.74 0.8333 0.9692 2061887 Enamine_003266 O=C(NC1CC1)C2=COCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E11 compound treatment 0.395 9.69E-4 0.04 0.397 0.00342 0.22 0.1816 0.8104 1503300 Enamine_003267 COC(=O)c1ccc(CN)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E12 compound treatment 0.402 0.00797 0.29 0.408 0.0144 0.93 0.8667 0.8863 2061888 Enamine_003268 FC(F)(F)Oc1ccc(/N=C/c2ccsc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E13 compound treatment 0.42 0.026 0.95 0.411 0.0174 1.13 1.4714 0.9965 2061889 Enamine_003269 N#Cc1ccc(cc1)C2NC(=NO2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E14 compound treatment 0.392 -0.00203 -0.07 0.4 0.00642 0.42 0.241 0.571 2061890 Enamine_003270 Brc1ccc(o1)C(=O)Nc2ccc3n4CCCCCc4nc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E15 compound treatment 0.421 0.027 0.99 0.413 0.0194 1.26 1.5889 0.993 2061891 Enamine_003271 CC1CCCC(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E16 compound treatment 0.401 0.00697 0.26 0.401 0.00742 0.48 0.5204 0.9566 1676603 Enamine_003272 Clc1ccc(CSCC(=O)NC2CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E17 compound treatment 0.403 0.00897 0.33 0.412 0.0184 1.19 1.0757 0.8699 2061892 Enamine_003273 O=C(CSc1nc2ccccc2n1CCc3ccccc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E18 compound treatment 0.407 0.013 0.48 0.416 0.0224 1.45 1.3626 0.8924 1188298 Enamine_003274 O=C(COC(=O)Cc1ccccc1)NC2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E19 compound treatment 0.395 9.69E-4 0.04 0.399 0.00542 0.35 0.2731 0.7749 2061893 Enamine_003275 Cc1cc(Nc2ccccc2)n(CCO)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E20 compound treatment 0.4 0.00597 0.22 0.409 0.0154 1.0 0.8605 0.8424 2061894 Enamine_003276 COc1ccc(OCC(=O)OCc2c(F)cccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E21 compound treatment 0.4 0.00597 0.22 0.405 0.0114 0.74 0.6775 0.879 2061895 Enamine_003277 Brc1ccc(/C=C/C(=O)OCc2ccccc2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E22 compound treatment 0.399 0.00497 0.18 0.397 0.00342 0.22 0.2855 0.9954 2061896 Enamine_003278 Cc1cc(c2ccccc2)n3ncnc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E23 mock treatment 0.39 -0.00403 -0.15 0.398 0.00442 0.29 0.0975 0.3029 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 E24 mock treatment 0.4 0.00597 0.22 0.395 0.00142 0.09 0.2199 0.9254 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F01 compound treatment 0.4 0.00597 0.22 0.402 0.00842 0.54 0.5402 0.9199 2061897 Enamine_003279 COc1cc(OC)c(NC(=O)CCc2ccccc2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F02 compound treatment 0.412 0.018 0.66 0.405 0.0114 0.74 0.9891 0.9984 2061898 Enamine_003280 CCOC(=O)C1CCN(CC1)C(=O)c2cc(nc3ccccc23)c4ccc(C)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F03 compound treatment 0.441 0.047 1.72 0.439 0.0454 2.94 3.2979 0.9677 1171534 Enamine_003281 CN(C)c1ccc(NC(=O)CC2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F04 compound treatment 0.4 0.00597 0.22 0.407 0.0134 0.87 0.769 0.8587 2061899 Enamine_003282 Fc1cccc(Cl)c1C(=O)OCC(=O)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F05 compound treatment 0.432 0.038 1.39 0.453 0.0594 3.85 3.7048 0.9058 2061900 Enamine_003283 Brc1ccc(NC(=O)/C=C/c2cccs2)nc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F06 compound treatment 0.385 -0.00903 -0.33 0.384 -0.00958 -0.62 -0.6729 -0.957 1176269 Enamine_003284 COc1ccccc1Nc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F07 compound treatment 0.408 0.014 0.51 0.404 0.0104 0.67 0.8395 0.9909 1482144 Enamine_003285 O=C(CSc1nc2ccccc2[nH]1)NCCC3=CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F08 compound treatment 0.417 0.023 0.84 0.41 0.0164 1.06 1.3477 0.9935 2061901 Enamine_003286 C1CCC(CC1)NC2=NCCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F09 compound treatment 0.409 0.015 0.55 0.413 0.0194 1.26 1.2773 0.9312 1711437 Enamine_003287 CN(C(=O)COC(=O)c1cc2ccccc2cc1O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F10 compound treatment 0.424 0.03 1.1 0.42 0.0264 1.71 1.9871 0.9773 2061902 Enamine_003288 Clc1ccc(CNC(=O)Cc2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F11 compound treatment 0.406 0.012 0.44 0.414 0.0204 1.32 1.2451 0.8941 2061903 Enamine_003289 Cc1c(C)c2ccccc2n1C(=O)CSc3nnc[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F12 compound treatment 0.424 0.03 1.1 0.391 -0.00258 -0.17 0.6601 0.593 2061904 Enamine_003290 Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F13 compound treatment 0.409 0.015 0.55 0.402 0.00842 0.54 0.7739 1.0 2061905 Enamine_003291 O=C(Nc1ccn(n1)c2ccccc2)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F14 compound treatment 0.419 0.025 0.92 0.419 0.0254 1.64 1.8115 0.9619 2061906 Enamine_003292 Cc1ccc(cc1)c2nc(C#N)c(NC3CC3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F15 compound treatment 0.422 0.028 1.03 0.429 0.0354 2.29 2.347 0.9344 1473324 Enamine_003293 Oc1ccccc1C(=O)OCC(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F16 compound treatment 0.512 0.118 4.33 0.499 0.105 6.82 7.887 0.976 2061907 Enamine_003294 Cc1ccc(cc1C)C(=O)CSc2cnc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F17 compound treatment 0.434 0.04 1.47 0.434 0.0404 2.62 2.8874 0.9627 2061908 Enamine_003295 Fc1ccc(Nc2nc(nc3ccccc23)c4ccncc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F18 compound treatment 0.408 0.014 0.51 0.42 0.0264 1.71 1.5716 0.8805 1384212 Enamine_003296 Cc1ccc(c(C)c1)n2c(SCC(=O)NC3CC3)nc4ccccc4c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F19 compound treatment 0.411 0.017 0.62 0.409 0.0154 1.0 1.1462 0.9743 1493913 Enamine_003297 CCC(=C1C(=O)CCCC1=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F20 compound treatment 0.405 0.011 0.4 0.406 0.0124 0.8 0.8531 0.949 1535072 Enamine_003298 CC(CCc1ccccc1)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F21 compound treatment 0.406 0.012 0.44 0.41 0.0164 1.06 1.0621 0.9237 1081416 Enamine_003299 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3NC2c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F22 compound treatment 0.406 0.012 0.44 0.406 0.0124 0.8 0.8791 0.9597 1401252 Enamine_003300 Nc1cc(ccc1Cl)C(=O)OCC(=O)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F23 mock treatment 0.407 0.013 0.48 0.398 0.00442 0.29 0.539 0.9702 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 F24 mock treatment 0.402 0.00797 0.29 0.404 0.0104 0.67 0.6837 0.9302 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G01 compound treatment 0.371 -0.023 -0.85 0.367 -0.0266 -1.72 -1.8143 -0.9466 2061909 Enamine_003301 CCOc1ccc(/N=C/c2c[nH]c3ccc(Br)cc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G02 compound treatment 0.398 0.00397 0.15 0.404 0.0104 0.67 0.5798 0.8405 2061910 Enamine_003302 CC(OC(=O)C1CC1)C(=O)Nc2cc(ccc2Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G03 compound treatment 0.447 0.053 1.95 0.457 0.0634 4.1 4.2774 0.9418 2061911 Enamine_003303 Oc1ccc(/N=C/c2ccc(F)c(F)c2)cc1/N=C/c3ccc(F)c(F)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G04 compound treatment 0.404 0.00997 0.37 0.394 4.19E-4 0.03 0.278 0.7574 2061912 Enamine_003304 CN(c1ccccc1)S(=O)(=O)c2cccc(c2)C(=O)NC3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G05 compound treatment 0.396 0.00197 0.07 0.397 0.00342 0.22 0.2076 0.8917 2061913 Enamine_003305 Brc1ccc(o1)C(=O)OCC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G06 compound treatment 0.397 0.00297 0.11 0.401 0.00742 0.48 0.4166 0.8461 2061914 Enamine_003306 O=C(COC(=O)/C=C/c1ccccc1)Nc2cccc(C#N)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G07 compound treatment 0.398 0.00397 0.15 0.399 0.00542 0.35 0.351 0.9243 2061915 Enamine_003307 Oc1ccccc1/C=N/c2ccccc2N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G08 compound treatment 0.404 0.00997 0.37 0.396 0.00242 0.16 0.3696 0.9282 2061916 Enamine_003308 FC(F)(F)c1ccc(Cl)c(NC(=O)COC(=O)CC2CCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G09 compound treatment 0.394 -3.12E-5 0.0 0.393 -5.81E-4 -0.04 -0.0274 -0.7284 2061917 Enamine_003309 Clc1ccc(C#N)c(/N=C/c2ccc3ncccc3c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G10 compound treatment 0.401 0.00697 0.26 0.406 0.0124 0.8 0.7492 0.8883 2061918 Enamine_003310 O=C(NC1CCCC1)C2=COCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G11 compound treatment 0.394 -3.12E-5 0.0 0.39 -0.00358 -0.23 -0.1647 -0.7106 2061919 Enamine_003311 OC(=O)c1c(Cl)nc2ccccn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G12 compound treatment 0.404 0.00997 0.37 0.411 0.0174 1.13 1.0559 0.8909 2061920 Enamine_003312 Cc1ccsc1/C=N/c2ccc(OC(F)(F)F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G13 compound treatment 0.423 0.029 1.06 0.419 0.0254 1.64 1.9154 0.9778 2061921 Enamine_003313 Br/C(=C\c1ccccc1)/C=N/c2ccccc2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G14 compound treatment 0.406 0.012 0.44 0.406 0.0124 0.8 0.8791 0.9597 1190791 Enamine_003314 CC1CCCC(C)N1C(=O)COC(=O)c2c3CCCc3nc4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G15 compound treatment 0.397 0.00297 0.11 0.397 0.00342 0.22 0.2336 0.9468 1210263 Enamine_003315 Clc1ccc(cc1)S(=O)(=O)CCC(=O)OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G16 compound treatment 0.398 0.00397 0.15 0.399 0.00542 0.35 0.351 0.9243 1419122 Enamine_003316 Cc1ccc(NC2SC(=O)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G17 compound treatment 0.423 0.029 1.06 0.426 0.0324 2.1 2.2357 0.9505 1235226 Enamine_003317 CC1CCCC(NC(=O)COC(=O)c2cc(C)oc2C)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G18 compound treatment 0.407 0.013 0.48 0.403 0.00942 0.61 0.7678 0.9925 1708710 Enamine_003318 Fc1ccc(F)c(NC(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G19 compound treatment 0.396 0.00197 0.07 0.393 -5.81E-4 -0.04 0.0246 0.3013 2061922 Enamine_003319 CCn1nc(C)cc1Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G20 compound treatment 0.45 0.056 2.06 0.489 0.0954 6.17 5.8195 0.8942 1622221 Enamine_003320 COc1ccccc1C(=O)COC(=O)Cc2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G21 compound treatment 0.414 0.02 0.73 0.413 0.0194 1.26 1.4071 0.9671 2061923 Enamine_003321 CCc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2C)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G22 compound treatment 0.394 -3.12E-5 0.0 0.397 0.00342 0.22 0.1557 0.7034 2061924 Enamine_003322 CCOC(=O)c1cnc2c(cnn2c1C)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G23 mock treatment 0.391 -0.00303 -0.11 0.396 0.00242 0.16 0.032 0.1666 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 G24 mock treatment 0.392 -0.00203 -0.07 0.399 0.00542 0.35 0.1952 0.5445 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H01 compound treatment 0.403 0.00897 0.33 0.403 0.00942 0.61 0.6639 0.9582 1784909 Enamine_003323 CCOC(=O)N1CCN(CC1)C(=O)COc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H02 compound treatment 0.398 0.00397 0.15 0.401 0.00742 0.48 0.4425 0.882 2061925 Enamine_003324 CN(C1CCN(C)CC1)C(=O)CSc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H03 compound treatment 0.392 -0.00203 -0.07 0.39 -0.00358 -0.23 -0.2166 -0.8898 2061926 Enamine_003325 O=C(CCCc1ccccc1)Nc2cccc(C#N)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H04 compound treatment 0.403 0.00897 0.33 0.404 0.0104 0.67 0.7097 0.9457 2061927 Enamine_003326 Clc1cccc(NC(=O)COC(=O)c2ccccn2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H05 compound treatment 0.401 0.00697 0.26 0.404 0.0104 0.67 0.6577 0.912 2061928 Enamine_003327 Clc1ncccc1NC(=O)c2ccc(Oc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H06 compound treatment 0.398 0.00397 0.15 0.395 0.00142 0.09 0.168 0.9752 2061929 Enamine_003328 O=C(CSc1ccccc1)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H07 compound treatment 0.459 0.065 2.39 0.46 0.0664 4.3 4.7262 0.9614 2061930 Enamine_003329 CC(OC(=O)c1cccs1)C(=O)Nc2cccc(Cl)c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H08 compound treatment 0.398 0.00397 0.15 0.398 0.00442 0.29 0.3053 0.9511 2061931 Enamine_003330 O=c1n(c2ccccc2)c3nncn3c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H09 compound treatment 0.407 0.013 0.48 0.402 0.00842 0.54 0.722 0.9978 2061932 Enamine_003331 OC1(CC(=O)c2ccccc2)C(=O)N(CCc3ccccc3)c4ccc(Cl)cc41 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H10 compound treatment 0.394 -3.12E-5 0.0 0.402 0.00842 0.54 0.3844 0.7056 2061933 Enamine_003332 O=C(Cc1nc2ccccc2[nH]1)NCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H11 compound treatment 0.425 0.031 1.14 0.437 0.0434 2.81 2.7909 0.9207 2061934 Enamine_003333 Clc1ccc(NC(=O)C2CC(=O)N=C(Nc3ccccc3)S2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H12 compound treatment 0.456 0.062 2.28 0.456 0.0624 4.04 4.4653 0.9631 2061935 Enamine_003334 COc1cccc(/C=C/C(=O)OCC(=O)NC2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H13 compound treatment 0.408 0.014 0.51 0.399 0.00542 0.35 0.6107 0.9828 2061936 Enamine_003335 Brc1ccccc1C(=O)Nc2ccn(n2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H14 compound treatment 0.398 0.00397 0.15 0.4 0.00642 0.42 0.3968 0.9013 2061937 Enamine_003336 CC(N(C(=O)c1cccc(C)c1)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H15 compound treatment 0.397 0.00297 0.11 0.401 0.00742 0.48 0.4166 0.8461 2061938 Enamine_003337 COc1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3ccccc3)C)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H16 compound treatment 0.398 0.00397 0.15 0.402 0.00842 0.54 0.4883 0.8658 2061939 Enamine_003338 CC(N(C(=O)c1ccc(F)cc1)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H17 compound treatment 0.412 0.018 0.66 0.41 0.0164 1.06 1.2179 0.9737 2061940 Enamine_003339 Cc1nc(=O)c(c(C)n1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H18 compound treatment 0.397 0.00297 0.11 0.399 0.00542 0.35 0.3251 0.8851 2061941 Enamine_003340 CCN(C(=O)CSc1nccn1C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H19 compound treatment 0.402 0.00797 0.29 0.4 0.00642 0.42 0.5007 0.9853 2061942 Enamine_003341 CC1(C)CC(=O)C(=C(C1)NCc2ccccc2)C(=O)Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H20 compound treatment 0.398 0.00397 0.15 0.4 0.00642 0.42 0.3968 0.9013 1474360 Enamine_003342 Fc1ccccc1n2c(SCC(=O)NC3CC3)nc4ccccc4c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H21 compound treatment 0.403 0.00897 0.33 0.398 0.00442 0.29 0.4351 0.9975 2061943 Enamine_003343 Cc1sc2nc(oc(=O)c2c1C)c3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H22 compound treatment 0.402 0.00797 0.29 0.395 0.00142 0.09 0.2719 0.8864 1582652 Enamine_003344 CC1CCCN(C1)C(=O)CSc2nc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H23 mock treatment 0.397 0.00297 0.11 0.402 0.00842 0.54 0.4623 0.8321 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 H24 mock treatment 0.4 0.00597 0.22 0.389 -0.00458 -0.3 -0.0546 -0.1481 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I01 compound treatment 0.409 0.015 0.55 0.408 0.0144 0.93 1.0485 0.9682 2061944 Enamine_003345 CCC(C)c1ccccc1/N=C/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I02 compound treatment 0.406 0.012 0.44 0.409 0.0154 1.0 1.0163 0.9322 1352521 Enamine_003346 COc1ccccc1C(=O)COC(=O)CCC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I03 compound treatment 0.41 0.016 0.59 0.408 0.0144 0.93 1.0745 0.9749 2061945 Enamine_003347 CC(C)c1ccccc1/N=C/c2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I04 compound treatment 0.385 -0.00903 -0.33 0.379 -0.0146 -0.94 -0.9017 -0.9016 2061946 Enamine_003348 Oc1ccc(CCNC(=O)CSc2ccc3ccccc3c2)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I05 compound treatment 0.44 0.046 1.69 0.448 0.0544 3.52 3.6838 0.9433 2061947 Enamine_003349 Cc1ccc(s1)C(=O)OCC(=O)c2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I06 compound treatment 0.42 0.026 0.95 0.425 0.0314 2.03 2.112 0.9405 1299226 Enamine_003350 O=C(COC(=O)C1CC2CC1C=C2)NCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I07 compound treatment 0.414 0.02 0.73 0.436 0.0424 2.75 2.4595 0.8656 2061948 Enamine_003351 COc1ccc(C)cc1/N=C/c2ccc(C)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I08 compound treatment 0.417 0.023 0.84 0.405 0.0114 0.74 1.1189 0.9978 1478952 Enamine_003352 Cc1ccc(cc1)S(=O)(=O)NCC(N2CCCCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I09 compound treatment 0.446 0.052 1.91 0.436 0.0424 2.75 3.2905 0.9842 2061949 Enamine_003353 COc1cc2ccccc2cc1C(=O)OCC(=O)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I10 compound treatment 0.411 0.017 0.62 0.41 0.0164 1.06 1.1919 0.9677 2061950 Enamine_003354 O=C(N1c2ccccc2Sc3ccccc13)C4=COCCO4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I11 compound treatment 0.404 0.00997 0.37 0.407 0.0134 0.87 0.8729 0.9263 1214008 Enamine_003355 O=C(CC(=O)NCC1CCCO1)NCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I12 compound treatment 0.436 0.042 1.54 0.441 0.0474 3.07 3.2596 0.9492 2061951 Enamine_003356 FC(F)(F)c1ccc(/N=C/c2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I13 compound treatment 0.42 0.026 0.95 0.424 0.0304 1.97 2.0662 0.9446 2061952 Enamine_003357 Nc1cc(Cl)c(/N=C/c2ccc(C#N)cc2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I14 compound treatment 0.406 0.012 0.44 0.407 0.0134 0.87 0.9248 0.9502 1663063 Enamine_003358 Clc1ccccc1CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I15 compound treatment 0.396 0.00197 0.07 0.406 0.0124 0.8 0.6194 0.7676 2061953 Enamine_003359 Brc1ccc(o1)C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I16 compound treatment 0.4 0.00597 0.22 0.417 0.0234 1.52 1.2266 0.801 2061954 Enamine_003360 Clc1ccc(/C=C\2/SC(=O)N(CC(=O)NC3CCCCC3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I17 compound treatment 0.418 0.024 0.88 0.415 0.0214 1.39 1.6025 0.976 2061955 Enamine_003361 OC(=O)Cc1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I18 compound treatment 0.415 0.021 0.77 0.415 0.0214 1.39 1.5246 0.9615 2061956 Enamine_003362 CC(OC(=O)/C=C/c1cccs1)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I19 compound treatment 0.402 0.00797 0.29 0.409 0.0154 1.0 0.9125 0.8775 1265087 Enamine_003363 Cc1cc(Nc2ccccc2)[nH]n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I20 compound treatment 0.405 0.011 0.4 0.409 0.0154 1.0 0.9904 0.9204 1187335 Enamine_003364 Cc1ccc(OCC(=O)OCC(=O)N)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I21 compound treatment 0.405 0.011 0.4 0.397 0.00342 0.22 0.4413 0.9602 1733495 Enamine_003365 Brc1ccc(o1)C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I22 compound treatment 0.408 0.014 0.51 0.414 0.0204 1.32 1.2971 0.9151 2061957 Enamine_003366 CCOC(=O)Cc1c(C)nc2c(cnn2c1C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I23 mock treatment 0.402 0.00797 0.29 0.4 0.00642 0.42 0.5007 0.9853 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 I24 mock treatment 0.404 0.00997 0.37 0.403 0.00942 0.61 0.6899 0.9702 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J01 compound treatment 0.401 0.00697 0.26 0.398 0.00442 0.29 0.3832 0.9985 2061958 Enamine_003367 COc1ccc(Cc2nc(no2)c3ccc(Br)cc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J02 compound treatment 0.393 -0.00103 -0.04 0.4 0.00642 0.42 0.267 0.64 1316877 Enamine_003368 Cc1cccnc1NC(=O)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J03 compound treatment 0.397 0.00297 0.11 0.396 0.00242 0.16 0.1878 0.9844 1194866 Enamine_003369 CC(Oc1ccc(Cl)cc1Cl)C(=O)N2CCC(CC2)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J04 compound treatment 0.409 0.015 0.55 0.41 0.0164 1.06 1.14 0.9529 1873618 Enamine_003370 CC1CCCC(NC(=O)COc2cc(C)cc3oc(=O)c4CCCCc4c23)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J05 compound treatment 0.403 0.00897 0.33 0.402 0.00842 0.54 0.6181 0.9709 1152388 Enamine_003371 Oc1c(CN2CCN(CC2)c3ccccc3)cc(Cl)c4cccnc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J06 compound treatment 0.394 -3.12E-5 0.0 0.412 0.0184 1.19 0.842 0.7064 1682504 Enamine_003372 Cc1onc(c1C(=O)Nc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J07 compound treatment 0.402 0.00797 0.29 0.403 0.00942 0.61 0.6379 0.9435 2061959 Enamine_003373 CN1/C(=C\C(=O)COC(=O)C(C)(C)C)/C(C)(C)c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J08 compound treatment 0.4 0.00597 0.22 0.404 0.0104 0.67 0.6318 0.8911 2061960 Enamine_003374 COc1ccccc1NC2=NC(C)(C)CS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J09 compound treatment 0.493 0.099 3.63 0.492 0.0984 6.37 7.0733 0.9646 2061961 Enamine_003375 Fc1cccc(/C=C/2\N=C(OC2=O)c3cccs3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J10 compound treatment 0.41 0.016 0.59 0.41 0.0164 1.06 1.166 0.9608 2061962 Enamine_003376 N#CC(=C1CCCC1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J11 compound treatment 0.419 0.025 0.92 0.416 0.0224 1.45 1.6742 0.9755 2061963 Enamine_003377 CCSc1nnc(c2ccccc2)c(n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J12 compound treatment 0.419 0.025 0.92 0.427 0.0334 2.16 2.1776 0.927 2061964 Enamine_003378 FC(F)(F)c1cccc(c1)C(=O)COC(=O)/C=C/c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J13 compound treatment 0.385 -0.00903 -0.33 0.396 0.00242 0.16 -0.1238 -0.3376 2061965 Enamine_003379 O=C(Nc1ccc(cc1)c2nnc3CCCCCn23)/C=C/c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J14 compound treatment 0.392 -0.00203 -0.07 0.399 0.00542 0.35 0.1952 0.5445 2061966 Enamine_003380 CC(N(C(=O)c1ccc(C)cc1)c2ccccn2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J15 compound treatment 0.412 0.018 0.66 0.407 0.0134 0.87 1.0806 0.9908 2061967 Enamine_003381 Brc1ccc(/C=C/C(=O)OCC(=O)N2CCCc3ccccc23)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J16 compound treatment 0.392 -0.00203 -0.07 0.401 0.00742 0.48 0.2868 0.5902 2061968 Enamine_003382 FC(F)(F)c1cccc(CC(=O)OCC(=O)N2CCCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J17 compound treatment 0.532 0.138 5.07 0.532 0.138 8.96 9.9164 0.9636 1491272 Enamine_003383 Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J18 compound treatment 0.395 9.69E-4 0.04 0.398 0.00442 0.29 0.2274 0.789 2061969 Enamine_003384 CC(C)c1cccc(C)c1NC(=O)CSc2nnc[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J19 compound treatment 0.4 0.00597 0.22 0.401 0.00742 0.48 0.4945 0.9369 2061970 Enamine_003385 Cc1n[nH]c2CC(C/C(=N/O)/c12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J20 compound treatment 0.409 0.015 0.55 0.411 0.0174 1.13 1.1858 0.9455 1528161 Enamine_003386 O=C(COC(=O)c1c2CCCc2nc3ccccc13)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J21 compound treatment 0.396 0.00197 0.07 0.399 0.00542 0.35 0.2991 0.8353 2061971 Enamine_003387 CCN(CC)c1ncnc2sc(C)c(C)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J22 compound treatment 0.397 0.00297 0.11 0.397 0.00342 0.22 0.2336 0.9468 1364139 Enamine_003388 Fc1ccc(c(F)c1)n2c(SCC(=O)NC3CCCC3)nc4ccccc4c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J23 mock treatment 0.391 -0.00303 -0.11 0.388 -0.00558 -0.36 -0.3341 -0.884 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 J24 mock treatment 0.391 -0.00303 -0.11 0.392 -0.00158 -0.1 -0.151 -0.9991 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K01 compound treatment 0.405 0.011 0.4 0.4 0.00642 0.42 0.5786 0.9999 2061972 Enamine_003389 O=C(CSc1ccc2ccccc2c1)Nc3ncccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K02 compound treatment 0.406 0.012 0.44 0.405 0.0114 0.74 0.8333 0.9692 2061973 Enamine_003390 Brc1ccc(o1)C(=O)OCc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K03 compound treatment 0.4 0.00597 0.22 0.406 0.0124 0.8 0.7233 0.8682 2061974 Enamine_003391 Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K04 compound treatment 0.405 0.011 0.4 0.403 0.00942 0.61 0.7158 0.9798 2061975 Enamine_003392 COC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)N3CCCN(C)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K05 compound treatment 0.442 0.048 1.76 0.448 0.0544 3.52 3.7357 0.9487 2061976 Enamine_003393 Clc1ccc(/C=C/C(=O)OCC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K06 compound treatment 0.421 0.027 0.99 0.423 0.0294 1.9 2.0465 0.9536 2061977 Enamine_003394 Clc1cc(cc(Cl)n1)C(=O)OCC(=O)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K07 compound treatment 0.492 0.098 3.6 0.512 0.118 7.66 7.9625 0.9406 2061978 Enamine_003395 c1sc(nc1c2ccc3ccccc3c2)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K08 compound treatment 0.415 0.021 0.77 0.416 0.0224 1.45 1.5704 0.9561 2061979 Enamine_003396 O=C(CSc1ccc2ccccc2c1)Nn3cnnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K09 compound treatment 0.399 0.00497 0.18 0.403 0.00942 0.61 0.56 0.8802 1129760 Enamine_003397 CC1CCCC(C)N1C(=O)COC(=O)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K10 compound treatment 0.408 0.014 0.51 0.404 0.0104 0.67 0.8395 0.9909 2061980 Enamine_003398 O=C(NC1(CC2CC3CC(C2)C1)C3)C4=COCCO4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K11 compound treatment 0.417 0.023 0.84 0.42 0.0264 1.71 1.8053 0.947 2061981 Enamine_003399 Fc1c(F)c(F)c(NC(=O)CSc2nncn2c3ccccc3)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K12 compound treatment 0.406 0.012 0.44 0.408 0.0144 0.93 0.9706 0.941 2061982 Enamine_003400 FC(F)(F)Oc1ccc(/N=C/c2cccs2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K13 compound treatment 0.393 -0.00103 -0.04 0.412 0.0184 1.19 0.8161 0.6843 2061983 Enamine_003401 Oc1ccccc1/N=C/c2ccc3ncccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K14 compound treatment 0.406 0.012 0.44 0.403 0.00942 0.61 0.7418 0.9871 1341430 Enamine_003402 O=C(COC(=O)c1cccs1)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K15 compound treatment 0.394 -3.12E-5 0.0 0.393 -5.81E-4 -0.04 -0.0274 -0.7284 2061984 Enamine_003403 Fc1cccc(F)c1C(=O)OCC(=O)c2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K16 compound treatment 0.416 0.022 0.81 0.422 0.0284 1.84 1.8709 0.9316 2061985 Enamine_003404 Fc1ccc(C(=O)OCc2nc3ccccc3s2)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K17 compound treatment 0.401 0.00697 0.26 0.404 0.0104 0.67 0.6577 0.912 2061986 Enamine_003405 OC(=O)Cc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K18 compound treatment 0.402 0.00797 0.29 0.405 0.0114 0.74 0.7294 0.9178 1383463 Enamine_003406 CC1CCCC(NC(=O)COc2ncnc3ccccc23)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K19 compound treatment 0.399 0.00497 0.18 0.393 -5.81E-4 -0.04 0.1025 0.55 2061987 Enamine_003407 Cc1cc(Nc2ccccc2)n(CCC#N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K20 compound treatment 0.412 0.018 0.66 0.42 0.0264 1.71 1.6755 0.9143 1338089 Enamine_003408 Fc1cccc(OCC(=O)OCC(=O)c2cccc(Cl)c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K21 compound treatment 0.397 0.00297 0.11 0.394 4.19E-4 0.03 0.0963 0.857 1453464 Enamine_003409 Brc1ccc(o1)C(=O)OCC(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K22 compound treatment 0.4 0.00597 0.22 0.407 0.0134 0.87 0.769 0.8587 1691795 Enamine_003410 CC1(C)CC(CC(C)(C)N1)NC(=O)COc2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K23 mock treatment 0.393 -0.00103 -0.04 0.394 4.19E-4 0.03 -0.0076 -0.1629 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 K24 mock treatment 0.392 -0.00203 -0.07 0.398 0.00442 0.29 0.1495 0.5058 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L01 compound treatment 0.408 0.014 0.51 0.417 0.0234 1.52 1.4343 0.8965 1880214 Enamine_003411 Fc1ccccc1N2CCN(CC2)C(=O)c3ccc(Br)o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L02 compound treatment 0.409 0.015 0.55 0.402 0.00842 0.54 0.7739 1.0 2061988 Enamine_003412 C(=N/c1ccccc1)\c2nc(c3ccccc3)n4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L03 compound treatment 0.409 0.015 0.55 0.409 0.0154 1.0 1.0942 0.9605 1661795 Enamine_003413 CC(C)CCn1cnc2c(NCc3ccccc3)ncnc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L04 compound treatment 0.401 0.00697 0.26 0.398 0.00442 0.29 0.3832 0.9985 1873610 Enamine_003414 CCCc1cc(=O)oc2cc(OCC(=O)NC3CCCC3)c(Cl)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L05 compound treatment 0.414 0.02 0.73 0.427 0.0334 2.16 2.0477 0.8967 2061989 Enamine_003415 O=C/1Oc2ccccc2C(=O)\C1=C\N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L06 compound treatment 0.407 0.013 0.48 0.412 0.0184 1.19 1.1796 0.919 1281719 Enamine_003416 CCc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L07 compound treatment 0.444 0.05 1.83 0.438 0.0444 2.87 3.3301 0.9765 2061990 Enamine_003417 NC1=NC(=O)CC(S1)C(=O)Nc2cc(Cl)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L08 compound treatment 0.401 0.00697 0.26 0.4 0.00642 0.42 0.4747 0.9729 2061991 Enamine_003418 C(Cc1ccccc1)NC2=NCCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L09 compound treatment 0.416 0.022 0.81 0.416 0.0224 1.45 1.5963 0.9616 2061992 Enamine_003419 CCCCN1C(=O)C(O)(CC(=O)c2ccccc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L10 compound treatment 0.412 0.018 0.66 0.416 0.0224 1.45 1.4925 0.9364 2061993 Enamine_003420 Clc1ccc(/C=C\2/SC(=NC2=O)Nc3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L11 compound treatment 0.405 0.011 0.4 0.41 0.0164 1.06 1.0361 0.9118 2061994 Enamine_003421 CN(C)Cc1c(O)ccc2c(=O)c(c3ccccc3)c(oc12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L12 compound treatment 0.404 0.00997 0.37 0.403 0.00942 0.61 0.6899 0.9702 1674049 Enamine_003422 Fc1ccccc1C(=O)NCC(=O)OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L13 compound treatment 0.409 0.015 0.55 0.415 0.0214 1.39 1.3688 0.918 2061995 Enamine_003423 CCN(CCO)C(=O)c1ccc(cc1)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L14 compound treatment 0.392 -0.00203 -0.07 0.4 0.00642 0.42 0.241 0.571 2061996 Enamine_003424 O=C(Cc1cn2ccsc2n1)NC(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L15 compound treatment 0.414 0.02 0.73 0.411 0.0174 1.13 1.3156 0.9783 2061997 Enamine_003425 Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)n1c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L16 compound treatment 0.403 0.00897 0.33 0.41 0.0164 1.06 0.9842 0.8848 2061998 Enamine_003426 Fc1ccc(cc1)N(C(=O)c2cccnc2)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L17 compound treatment 0.412 0.018 0.66 0.415 0.0214 1.39 1.4467 0.9424 1174367 Enamine_003427 Cc1cc(OCC(=O)c2ccc(F)cc2)c3c4CCCc4c(=O)oc3c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L18 compound treatment 0.402 0.00797 0.29 0.409 0.0154 1.0 0.9125 0.8775 1306350 Enamine_003428 Clc1ncccc1C(=O)OCC(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L19 compound treatment 0.425 0.031 1.14 0.422 0.0284 1.84 2.1046 0.9733 2061999 Enamine_003429 CCCC(=O)C1=C(CC(CC1=O)c2ccccc2)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L20 compound treatment 0.406 0.012 0.44 0.406 0.0124 0.8 0.8791 0.9597 1662330 Enamine_003430 O=C(CSc1nc2ccccc2s1)NCCC3=CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L21 compound treatment 0.395 9.69E-4 0.04 0.401 0.00742 0.48 0.3647 0.7574 2062000 Enamine_003431 CNC(=O)c1cccc(c1)S(=O)(=O)N2CC(C)CC(C)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L22 compound treatment 0.397 0.00297 0.11 0.402 0.00842 0.54 0.4623 0.8321 1155947 Enamine_003432 NC(=O)COC(=O)c1cc(nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L23 mock treatment 0.401 0.00697 0.26 0.402 0.00842 0.54 0.5662 0.9406 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 L24 mock treatment 0.396 0.00197 0.07 0.397 0.00342 0.22 0.2076 0.8917 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M01 compound treatment 0.416 0.022 0.81 0.427 0.0334 2.16 2.0997 0.9097 2062001 Enamine_003433 Cc1nc2cc(COC(=O)c3ccccc3)ccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M02 compound treatment 0.4 0.00597 0.22 0.4 0.00642 0.42 0.4487 0.9554 2062002 Enamine_003434 Fc1ccc(cc1)C(=O)CCC(=O)OCc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M03 compound treatment 0.463 0.069 2.53 0.456 0.0624 4.04 4.6471 0.9747 2062003 Enamine_003435 COc1ccc(cc1)C(=O)COC(=O)c2cc(Br)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M04 compound treatment 0.406 0.012 0.44 0.407 0.0134 0.87 0.9248 0.9502 2062004 Enamine_003436 Cc1nn(c2NC3=C(C(c12)c4ccccn4)C(=O)CC(C)(C)C3)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M05 compound treatment 0.403 0.00897 0.33 0.408 0.0144 0.93 0.8927 0.9021 1384817 Enamine_003437 Fc1ccccc1OCC(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M06 compound treatment 0.442 0.048 1.76 0.462 0.0684 4.43 4.3763 0.9184 2062005 Enamine_003438 Clc1cc(cc(Cl)n1)C(=O)OCC(=O)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M07 compound treatment 0.4 0.00597 0.22 0.4 0.00642 0.42 0.4487 0.9554 2062006 Enamine_003439 CCC(C)c1ccccc1/N=C/c2ccsc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M08 compound treatment 0.406 0.012 0.44 0.404 0.0104 0.67 0.7876 0.9785 2062007 Enamine_003440 Clc1ccc(CNC(=O)c2cccc(c2)S(=O)(=O)N3CCCC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M09 compound treatment 0.402 0.00797 0.29 0.405 0.0114 0.74 0.7294 0.9178 1543803 Enamine_003441 CC1CCCC(C)N1C(=O)COC(=O)c2ccccc2Oc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M10 compound treatment 0.418 0.024 0.88 0.412 0.0184 1.19 1.4652 0.9889 1598138 Enamine_003442 COc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M11 compound treatment 0.487 0.093 3.41 0.497 0.103 6.69 7.1463 0.9512 1244566 Enamine_003443 Oc1ccccc1NC(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M12 compound treatment 0.401 0.00697 0.26 0.401 0.00742 0.48 0.5204 0.9566 2062008 Enamine_003444 O=C(Nc1ccc(cc1)c2nnc3CCCCCn23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M13 compound treatment 0.391 -0.00303 -0.11 0.404 0.0104 0.67 0.3981 0.5825 2062009 Enamine_003445 Cc1ccc(/N=C/c2ccc3ncccc3c2)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M14 compound treatment 0.418 0.024 0.88 0.415 0.0214 1.39 1.6025 0.976 1491092 Enamine_003446 Clc1ccc(OCC(=O)OCC(=O)N2CCCc3ccccc23)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M15 compound treatment 0.413 0.019 0.7 0.413 0.0194 1.26 1.3811 0.9613 1352275 Enamine_003447 O=C(COC(=O)c1n[nH]c2ccccc12)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M16 compound treatment 0.454 0.06 2.2 0.463 0.0694 4.49 4.7337 0.9462 1633231 Enamine_003448 Cc1ccc(cc1)C(=O)c2ccccc2C(=O)OCC(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M17 compound treatment 0.403 0.00897 0.33 0.403 0.00942 0.61 0.6639 0.9582 2062010 Enamine_003449 O=C1CSC(=N1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M18 compound treatment 0.421 0.027 0.99 0.424 0.0304 1.97 2.0922 0.9495 2062011 Enamine_003450 Clc1ccc2NC(=O)/C(=C\c3ccccc3)/c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M19 compound treatment 0.509 0.115 4.22 0.581 0.187 12.13 11.5613 0.9003 2062012 Enamine_003451 CSC(=S)N(c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M20 compound treatment 0.404 0.00997 0.37 0.41 0.0164 1.06 1.0102 0.8989 1229959 Enamine_003452 O=C(NC(Cc1ccccc1)C(=O)OCc2ccccc2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M21 compound treatment 0.394 -3.12E-5 0.0 0.398 0.00442 0.29 0.2014 0.7043 1386234 Enamine_003453 CC1CCCC(NC(=O)COC(=O)c2ccc(Br)cc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M22 compound treatment 0.407 0.013 0.48 0.4 0.00642 0.42 0.6305 0.9977 2062013 Enamine_003454 CC1(C)CC(CC(C)(C)N1)NC(=O)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M23 mock treatment 0.396 0.00197 0.07 0.392 -0.00158 -0.1 -0.0212 -0.1693 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 M24 mock treatment 0.397 0.00297 0.11 0.391 -0.00258 -0.17 -0.041 -0.2056 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N01 compound treatment 0.393 -0.00103 -0.04 0.399 0.00542 0.35 0.2212 0.6271 1540790 Enamine_003455 Cc1cccc(OCc2nc(no2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N02 compound treatment 0.392 -0.00203 -0.07 0.39 -0.00358 -0.23 -0.2166 -0.8898 2062014 Enamine_003456 COC(=O)c1ccc(COC(=O)c2ccccc2C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N03 compound treatment 0.439 0.045 1.65 0.433 0.0394 2.55 2.9714 0.9778 2062015 Enamine_003457 Cc1ccsc1/C=N/c2ccccc2C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N04 compound treatment 0.395 9.69E-4 0.04 0.395 0.00142 0.09 0.0901 0.9148 2062016 Enamine_003458 Fc1ccc(cc1)c2ccc(/C=N/c3ccc(F)c(F)c3)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N05 compound treatment 0.412 0.018 0.66 0.425 0.0314 2.03 1.9043 0.8908 1170859 Enamine_003459 CC(C)OC(c1c(C)[nH]c2ccccc12)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N06 compound treatment 0.4 0.00597 0.22 0.407 0.0134 0.87 0.769 0.8587 1870428 Enamine_003460 Cc1c(OCC(=O)NC2CCCC2)ccc3c4ccccc4c(=O)oc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N07 compound treatment 0.397 0.00297 0.11 0.397 0.00342 0.22 0.2336 0.9468 2062017 Enamine_003461 CCn1c(SCc2ccccc2)nnc1c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N08 compound treatment 0.39 -0.00403 -0.15 0.399 0.00542 0.35 0.1433 0.3765 2062018 Enamine_003462 CC1(C)CSC(=N1)NCCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N09 compound treatment 0.392 -0.00203 -0.07 0.399 0.00542 0.35 0.1952 0.5445 1497855 Enamine_003463 OC1(CC(=O)c2cccnc2)C(=O)N(CCc3ccccc3)c4ccccc41 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N10 compound treatment 0.398 0.00397 0.15 0.399 0.00542 0.35 0.351 0.9243 2062019 Enamine_003464 NC(=O)c1c(N)[nH]nc1Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N11 compound treatment 0.406 0.012 0.44 0.404 0.0104 0.67 0.7876 0.9785 2062020 Enamine_003465 CCN(CC)S(=O)(=O)c1cc(ccc1F)C(=O)NCCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N12 compound treatment 0.4 0.00597 0.22 0.398 0.00442 0.29 0.3572 0.9914 1578847 Enamine_003466 COc1ccccc1NC(=O)COC(=O)C2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N13 compound treatment 0.4 0.00597 0.22 0.407 0.0134 0.87 0.769 0.8587 2062021 Enamine_003467 O=C(NCCCN1CCOCC1)/C=C/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N14 compound treatment 0.398 0.00397 0.15 0.395 0.00142 0.09 0.168 0.9752 2062022 Enamine_003468 OC(=O)CSCc1cn2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N15 compound treatment 0.399 0.00497 0.18 0.408 0.0144 0.93 0.7888 0.8297 2062023 Enamine_003469 CC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N16 compound treatment 0.399 0.00497 0.18 0.404 0.0104 0.67 0.6058 0.8673 2062024 Enamine_003470 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N17 compound treatment 0.407 0.013 0.48 0.41 0.0164 1.06 1.0881 0.9345 1269377 Enamine_003471 Cc1c(OC2CCCCC2=O)ccc3c(cc(=O)oc13)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N18 compound treatment 0.402 0.00797 0.29 0.399 0.00542 0.35 0.4549 0.996 1551588 Enamine_003472 Clc1ccc(CC(=O)OCC(=O)NC2CC2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N19 compound treatment 0.447 0.053 1.95 0.452 0.0584 3.78 4.0486 0.9523 2062025 Enamine_003473 CC(=O)N(/C=C/1\Sc2ccccc2C1=O)c3ccc(C)c(C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N20 compound treatment 0.399 0.00497 0.18 0.4 0.00642 0.42 0.4228 0.9318 1419663 Enamine_003474 CC1CN(CC(C)O1)C(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N21 compound treatment 0.399 0.00497 0.18 0.401 0.00742 0.48 0.4685 0.9122 2062026 Enamine_003475 COc1ccc(CCNC(=O)c2c(Cl)nc3sccn23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N22 compound treatment 0.393 -0.00103 -0.04 0.399 0.00542 0.35 0.2212 0.6271 1512717 Enamine_003476 CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(F)cc3)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N23 mock treatment 0.4 0.00597 0.22 0.392 -0.00158 -0.1 0.0827 0.3417 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 N24 mock treatment 0.392 -0.00203 -0.07 0.388 -0.00558 -0.36 -0.3081 -0.8355 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O01 compound treatment 0.405 0.011 0.4 0.398 0.00442 0.29 0.487 0.9859 2062027 Enamine_003477 COc1ccc(/N=C/c2ccc(SC)cc2)cc1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O02 compound treatment 0.403 0.00897 0.33 0.409 0.0154 1.0 0.9384 0.8931 2062028 Enamine_003478 O=C(CSC1=NCCN1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O03 compound treatment 0.396 0.00197 0.07 0.393 -5.81E-4 -0.04 0.0246 0.3013 1165127 Enamine_003479 O=C(COC(=O)c1cn(nc1c2ccccc2)c3ccccc3)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O04 compound treatment 0.402 0.00797 0.29 0.401 0.00742 0.48 0.5464 0.9718 2062029 Enamine_003480 NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O05 compound treatment 0.401 0.00697 0.26 0.398 0.00442 0.29 0.3832 0.9985 2062030 Enamine_003481 CCCNC(=O)C1(CC2CC3C1)CC(C2)(C3)C(=O)NCCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O06 compound treatment 0.431 0.037 1.36 0.436 0.0424 2.75 2.901 0.9473 1513960 Enamine_003482 Nc1c(nnn1Cc2ccccc2)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O07 compound treatment 0.39 -0.00403 -0.15 0.404 0.0104 0.67 0.3721 0.539 2062031 Enamine_003483 Cc1ccc(/C=N/c2c(F)cccc2F)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O08 compound treatment 0.407 0.013 0.48 0.398 0.00442 0.29 0.539 0.9702 1389523 Enamine_003484 CCN1CCN(CC(O)COCc2ccccc2)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O09 compound treatment 0.437 0.043 1.58 0.459 0.0654 4.23 4.1092 0.9095 1503079 Enamine_003485 Cc1ccc(s1)C(=O)OCC(=O)c2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O10 compound treatment 0.397 0.00297 0.11 0.397 0.00342 0.22 0.2336 0.9468 2062032 Enamine_003486 O=C(NC1CCCC1)c2ccc(cc2)S(=O)(=O)N3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O11 compound treatment 0.366 -0.028 -1.03 0.368 -0.0256 -1.66 -1.8984 -0.9739 2062033 Enamine_003487 Oc1ccc(Cl)cc1/N=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O12 compound treatment 0.397 0.00297 0.11 0.399 0.00542 0.35 0.3251 0.8851 2062034 Enamine_003488 Clc1cc(/N=C/c2cccnc2)ccc1/N=C/c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O13 compound treatment 0.387 -0.00703 -0.26 0.401 0.00742 0.48 0.1569 0.2878 2062035 Enamine_003489 COc1ccc(Cl)cc1/N=C/c2ccc3ncccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O14 compound treatment 0.412 0.018 0.66 0.411 0.0174 1.13 1.2637 0.9675 1244234 Enamine_003490 O=C(CSc1nc2ccccc2n1c3ccccc3)NC4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O15 compound treatment 0.395 9.69E-4 0.04 0.39 -0.00358 -0.23 -0.1387 -0.5916 1389067 Enamine_003491 CCc1ccc(NC(=O)C(C)OC(=O)c2ccc3ccccc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O16 compound treatment 0.395 9.69E-4 0.04 0.406 0.0124 0.8 0.5934 0.7377 1211725 Enamine_003492 Fc1ccc(cc1)C(=O)COC(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O17 compound treatment 0.398 0.00397 0.15 0.394 4.19E-4 0.03 0.1222 0.8246 2062036 Enamine_003493 CC(NC1=NCCS1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O18 compound treatment 0.399 0.00497 0.18 0.393 -5.81E-4 -0.04 0.1025 0.55 1325748 Enamine_003494 CC1CCCC(NC(=O)COC(=O)c2ccc(Br)o2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O19 compound treatment 0.389 -0.00503 -0.18 0.393 -5.81E-4 -0.04 -0.1572 -0.8338 2062037 Enamine_003495 Cc1nn(C)c(Nc2ccc(Br)cc2)c1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O20 compound treatment 0.396 0.00197 0.07 0.397 0.00342 0.22 0.2076 0.8917 1246850 Enamine_003496 O=C(COC(=O)C1CCC(=O)N1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O21 compound treatment 0.391 -0.00303 -0.11 0.389 -0.00458 -0.3 -0.2883 -0.9106 1411062 Enamine_003497 Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(F)cccc3F)c2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O22 compound treatment 0.399 0.00497 0.18 0.398 0.00442 0.29 0.3312 0.9764 2062038 Enamine_003498 COCC(=O)Nc1ccccc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O23 mock treatment 0.394 -3.12E-5 0.0 0.387 -0.00658 -0.43 -0.3019 -0.709 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 O24 mock treatment 0.394 -3.12E-5 0.0 0.396 0.00242 0.16 0.1099 0.7019 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P01 compound treatment 0.398 0.00397 0.15 0.4 0.00642 0.42 0.3968 0.9013 1350431 Enamine_003499 COc1ccc(CNC(=O)CC2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P02 compound treatment 0.393 -0.00103 -0.04 0.394 4.19E-4 0.03 -0.0076 -0.1629 2062039 Enamine_003500 Fc1ccc(CNC(=O)COC(=O)Cc2cccc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P03 compound treatment 0.401 0.00697 0.26 0.414 0.0204 1.32 1.1153 0.8287 2062040 Enamine_003501 CN(CC(O)COCc1cccs1)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P04 compound treatment 0.393 -0.00103 -0.04 0.389 -0.00458 -0.3 -0.2364 -0.791 2062041 Enamine_003502 Fc1ccc(/N=C/c2ccc3ncccc3c2)cc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P05 compound treatment 0.41 0.016 0.59 0.411 0.0174 1.13 1.2117 0.9536 2062042 Enamine_003503 O=C(COC(=O)/C=C/c1ccccc1)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P06 compound treatment 0.397 0.00297 0.11 0.396 0.00242 0.16 0.1878 0.9844 1870421 Enamine_003504 Cc1cc(=O)oc2cc(OCC(=O)c3ccccc3F)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P07 compound treatment 0.4 0.00597 0.22 0.401 0.00742 0.48 0.4945 0.9369 2062043 Enamine_003505 CC(C)(C)c1ccc(cc1)C(=O)NC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P08 compound treatment 0.398 0.00397 0.15 0.399 0.00542 0.35 0.351 0.9243 2062044 Enamine_003506 CSC(=S)n1cccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P09 compound treatment 0.406 0.012 0.44 0.399 0.00542 0.35 0.5588 0.9937 1669993 Enamine_003507 OC1(CC(=O)c2ccncc2)C(=O)N(Cc3ccccc3)c4ccccc41 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P10 compound treatment 0.394 -3.12E-5 0.0 0.387 -0.00658 -0.43 -0.3019 -0.709 2062045 Enamine_003508 O=C(Cc1ccccc1)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P11 compound treatment 0.398 0.00397 0.15 0.391 -0.00258 -0.17 -0.015 -0.0678 2062046 Enamine_003509 CC1CCCN(CC(O)COCc2cccs2)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P12 compound treatment 0.395 9.69E-4 0.04 0.397 0.00342 0.22 0.1816 0.8104 1785245 Enamine_003510 Cc1ccc2[nH]c(=O)c(CN3CCOCC3)c(c4ccccc4)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P13 compound treatment 0.398 0.00397 0.15 0.396 0.00242 0.16 0.2138 0.9994 1359213 Enamine_003511 O=C(CN1C(=O)c2ccccc2S1(=O)=O)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P14 compound treatment 0.397 0.00297 0.11 0.395 0.00142 0.09 0.142 0.9964 2062047 Enamine_003512 O=C(NCc1csc(n1)c2ccccc2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P15 compound treatment 0.399 0.00497 0.18 0.4 0.00642 0.42 0.4228 0.9318 1353646 Enamine_003513 CN(C1CCCCC1)C(=O)COC(=O)c2c(F)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P16 compound treatment 0.398 0.00397 0.15 0.397 0.00342 0.22 0.2595 0.9795 1260476 Enamine_003514 CN(Cc1ccccc1)C(=O)CN2C(=O)c3ccccc3S2(=O)=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P17 compound treatment 0.406 0.012 0.44 0.402 0.00842 0.54 0.696 0.9943 2062048 Enamine_003515 O/C(=C/1\C(=O)Nc2ccccc12)/C(=O)NCc3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P18 compound treatment 0.386 -0.00803 -0.29 0.395 0.00142 0.09 -0.1436 -0.4649 1323088 Enamine_003516 CC(C)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P19 compound treatment 0.399 0.00497 0.18 0.399 0.00542 0.35 0.377 0.9537 1403648 Enamine_003517 CCCNC(=O)c1sc2CCCCc2c1C(=O)Nc3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P20 compound treatment 0.392 -0.00203 -0.07 0.396 0.00242 0.16 0.058 0.3342 1542909 Enamine_003518 CC1CCCC(NC(=O)COC(=O)c2ccc(O)cc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P21 compound treatment 0.401 0.00697 0.26 0.403 0.00942 0.61 0.612 0.9257 2062049 Enamine_003519 Oc1ccccc1OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P22 compound treatment 0.391 -0.00303 -0.11 0.393 -5.81E-4 -0.04 -0.1053 -0.8961 2062050 Enamine_003520 FC(F)(F)c1cccc(c1)c2nnn(CC(=O)NCc3ccc(Cl)cc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P23 mock treatment 0.391 -0.00303 -0.11 0.395 0.00142 0.09 -0.0138 -0.0954 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1403 P24 mock treatment 0.39 -0.00403 -0.15 0.388 -0.00558 -0.36 -0.36 -0.9225 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A01 compound treatment 0.399 0.00384 0.14 0.39 -0.00684 -0.44 -0.2133 -0.459 2062051 Enamine_003521 Clc1cccc(Cl)c1NC(=O)COC(=O)COc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A02 compound treatment 0.401 0.00584 0.21 0.384 -0.0128 -0.83 -0.436 -0.5079 2062052 Enamine_003522 CC(OC(=O)c1c(F)cccc1F)C(=O)Nc2ccc(NC(=O)C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A03 compound treatment 0.389 -0.00616 -0.23 0.396 -8.44E-4 -0.05 -0.1985 -0.8534 2062053 Enamine_003523 Cc1cccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A04 compound treatment 0.402 0.00684 0.25 0.398 0.00116 0.07 0.2306 0.8795 2062054 Enamine_003524 CCN(Cc1ccncc1)C(=O)c2ccc(F)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A05 compound treatment 0.398 0.00284 0.1 0.386 -0.0108 -0.7 -0.4223 -0.5953 2062055 Enamine_003525 CC(C)Sc1nc2ccccc2c(=O)n1c3ccc(F)cc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A06 compound treatment 0.394 -0.00116 -0.04 0.392 -0.00484 -0.31 -0.2517 -0.7956 1174077 Enamine_003526 CCN(C(=O)COc1ncnc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A07 compound treatment 0.394 -0.00116 -0.04 0.395 -0.00184 -0.12 -0.1144 -0.9033 2062056 Enamine_003527 Cc1cc(F)ccc1S(=O)(=O)Nc2ccc(cc2)C(=O)N3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A08 compound treatment 0.397 0.00184 0.07 0.384 -0.0128 -0.83 -0.5398 -0.6474 2062057 Enamine_003528 Brc1ccccc1C(=O)COC(=O)C2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A09 compound treatment 0.391 -0.00416 -0.15 0.386 -0.0108 -0.7 -0.6041 -0.8412 1638820 Enamine_003529 Clc1ccccc1C(=O)OCC(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A10 compound treatment 0.412 0.0168 0.62 0.414 0.0172 1.11 1.2224 0.9619 2062058 Enamine_003530 Cc1cccc(NCc2csc(n2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A11 compound treatment 0.396 8.44E-4 0.03 0.388 -0.00884 -0.57 -0.3828 -0.6678 2062059 Enamine_003531 Clc1cccc(Cl)c1COC(=O)CNC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A12 compound treatment 0.403 0.00784 0.29 0.401 0.00416 0.27 0.3939 0.9994 1572351 Enamine_003532 O=C(COC(=O)c1ccc2ccccc2n1)Nc3ccccc3c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A13 compound treatment 0.395 -1.56E-4 -0.01 0.391 -0.00584 -0.38 -0.2715 -0.7178 2062060 Enamine_003533 CC(=O)SC1CCS(=O)(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A14 compound treatment 0.391 -0.00416 -0.15 0.388 -0.00884 -0.57 -0.5126 -0.8654 2062061 Enamine_003534 C/C=C/C(=O)OCc1ccc(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A15 compound treatment 0.395 -1.56E-4 -0.01 0.393 -0.00384 -0.25 -0.1799 -0.7232 1787878 Enamine_003535 OC(=O)C1C2OC3(CN(C/C=C/c4ccccc4)C(=O)C13)C=C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A16 compound treatment 0.395 -1.56E-4 -0.01 0.397 1.56E-4 0.01 0.0031 0.266 2062062 Enamine_003536 CC1CN=C(NCCc2ccccc2)S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A17 compound treatment 0.382 -0.0132 -0.48 0.393 -0.00384 -0.25 -0.5175 -0.9524 1119216 Enamine_003537 CC1C=C(C)CC(C1C(=O)O)C(=O)N2CCN(C)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A18 compound treatment 0.394 -0.00116 -0.04 0.396 -8.44E-4 -0.05 -0.0686 -0.9923 1606827 Enamine_003538 OCCNc1ccccc1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A19 compound treatment 0.399 0.00384 0.14 0.388 -0.00884 -0.57 -0.3049 -0.5172 1601235 Enamine_003539 CN(C1CCCCC1)C(=O)COC(=O)c2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A20 compound treatment 0.391 -0.00416 -0.15 0.392 -0.00484 -0.31 -0.3296 -0.9453 2062063 Enamine_003540 CC(=O)OCCn1nc(C)cc1Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A21 compound treatment 0.487 0.0918 3.37 0.499 0.102 6.61 7.0593 0.9512 1387131 Enamine_003541 COc1ccccc1Nc2cccccc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A22 compound treatment 0.39 -0.00516 -0.19 0.387 -0.00984 -0.64 -0.5843 -0.8793 1532030 Enamine_003542 Cc1ccc(C)c(NC(=O)C(OC(=O)c2cccnc2Cl)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A23 mock treatment 0.387 -0.00816 -0.3 0.39 -0.00684 -0.44 -0.5249 -0.9819 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 A24 mock treatment 0.402 0.00684 0.25 0.379 -0.0178 -1.15 -0.6388 -0.5406 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B01 compound treatment 0.409 0.0138 0.51 0.402 0.00516 0.33 0.5954 0.9791 2062064 Enamine_003543 CC1(C)CC(CC(C)(C)N1)NC(=O)/C=C/c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B02 compound treatment 0.405 0.00984 0.36 0.403 0.00616 0.4 0.5373 0.9988 1209100 Enamine_003544 O=C(COC(=O)C1CC2CC1C=C2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B03 compound treatment 0.411 0.0158 0.58 0.412 0.0152 0.98 1.1049 0.9689 1423062 Enamine_003545 Clc1cnc(NC(=O)COC(=O)c2ccccc2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B04 compound treatment 0.408 0.0128 0.47 0.42 0.0232 1.5 1.3931 0.8868 2062065 Enamine_003546 Cc1ccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B05 compound treatment 0.41 0.0148 0.55 0.413 0.0162 1.05 1.1247 0.9539 1458718 Enamine_003547 Cc1ccc(cc1)S(=O)(=O)CCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B06 compound treatment 0.409 0.0138 0.51 0.404 0.00716 0.46 0.6869 0.9989 1569748 Enamine_003548 OC(=O)CNC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B07 compound treatment 0.403 0.00784 0.29 0.413 0.0162 1.05 0.943 0.8695 1187792 Enamine_003549 OC(=O)c1ccccc1OCC(=O)Nc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B08 compound treatment 0.49 0.0948 3.48 0.497 0.1 6.48 7.0457 0.9576 2062066 Enamine_003550 COc1ccc(/N=C/c2ccc3ncccc3c2)cc1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B09 compound treatment 0.412 0.0168 0.62 0.417 0.0202 1.3 1.3597 0.9419 2062067 Enamine_003551 CN(C)C(=O)CSc1nnc(c2ccccc2)n1c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B10 compound treatment 0.407 0.0118 0.43 0.41 0.0132 0.85 0.9095 0.9514 2062068 Enamine_003552 Fc1cc(Br)ccc1NC(=O)CSc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B11 compound treatment 0.401 0.00584 0.21 0.41 0.0132 0.85 0.7537 0.8585 2062069 Enamine_003553 Fc1ccc(COC(=O)c2ccccc2F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B12 compound treatment 0.421 0.0258 0.95 0.42 0.0232 1.5 1.7307 0.9757 1687366 Enamine_003554 COc1ccc(CC(=O)NC(c2ccccc2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B13 compound treatment 0.408 0.0128 0.47 0.414 0.0172 1.11 1.1185 0.9273 2062070 Enamine_003555 CN1CCCN(CC1)C(=O)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B14 compound treatment 0.4 0.00484 0.18 0.405 0.00816 0.53 0.499 0.8959 2062071 Enamine_003556 CCCCn1c(C)nc2ccc(cc12)S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B15 compound treatment 0.406 0.0108 0.4 0.405 0.00816 0.53 0.6548 0.9903 2062072 Enamine_003557 COc1ccccc1NC(=O)CSc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B16 compound treatment 0.408 0.0128 0.47 0.412 0.0152 0.98 1.027 0.9437 2062073 Enamine_003558 Cc1ccc(cc1)N2CC(=C(C2=O)n3cc[n+](C)c3)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B17 compound treatment 0.407 0.0118 0.43 0.416 0.0192 1.24 1.1841 0.9013 1656936 Enamine_003559 Clc1cccc(c1)C(=O)OCC(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B18 compound treatment 0.406 0.0108 0.4 0.407 0.0102 0.66 0.7463 0.9712 2062074 Enamine_003560 COC(=O)/C=C\1/NC(=O)CS1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B19 compound treatment 0.408 0.0128 0.47 0.403 0.00616 0.4 0.6152 0.9965 2062075 Enamine_003561 Cc1cc2nc(n3c4ccccc4nc3n2n1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B20 compound treatment 0.402 0.00684 0.25 0.404 0.00716 0.46 0.5052 0.9588 1289503 Enamine_003562 Cc1cc(C(=O)OCC(=O)N)c(C)n1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B21 compound treatment 0.514 0.119 4.36 0.477 0.0802 5.19 6.7537 0.9963 1603717 Enamine_003563 Nc1c(C#N)c2nc3ccccc3nc2n1CCc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B22 compound treatment 0.393 -0.00216 -0.08 0.397 1.56E-4 0.01 -0.0488 -0.6118 1211698 Enamine_003564 C(Sc1nc2ccccc2o1)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B23 mock treatment 0.4 0.00484 0.18 0.404 0.00716 0.46 0.4532 0.9136 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 B24 mock treatment 0.389 -0.00616 -0.23 0.397 1.56E-4 0.01 -0.1527 -0.6748 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C01 compound treatment 0.383 -0.0122 -0.45 0.374 -0.0228 -1.48 -1.3609 -0.8813 1219097 Enamine_003565 Brc1cncc(c1)C(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C02 compound treatment 0.379 -0.0162 -0.59 0.383 -0.0138 -0.9 -1.053 -0.98 1491157 Enamine_003566 CC(OC(=O)C1(CCCC1)c2ccc(F)cc2)C(=O)Nc3ccc(NC(=O)C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C03 compound treatment 0.384 -0.0112 -0.41 0.385 -0.0118 -0.77 -0.8316 -0.9569 2062076 Enamine_003567 O=C(N1CCCc2ccccc12)c3cccc(c3)S(=O)(=O)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C04 compound treatment 0.408 0.0128 0.47 0.411 0.0142 0.92 0.9813 0.9524 2062077 Enamine_003568 Brc1ccccc1C(=O)CSc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C05 compound treatment 0.38 -0.0152 -0.56 0.381 -0.0158 -1.03 -1.1185 -0.9588 2062078 Enamine_003569 Cc1nc2ccccc2n(CC(=O)Nc3cc(Cl)cc(Cl)c3)c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C06 compound treatment 0.387 -0.00816 -0.3 0.385 -0.0118 -0.77 -0.7537 -0.916 2062079 Enamine_003570 OCCSC(C(=O)Nc1cccc(c1)C(F)(F)F)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C07 compound treatment 0.393 -0.00216 -0.08 0.38 -0.0168 -1.09 -0.8267 -0.7565 2062080 Enamine_003571 NC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C08 compound treatment 0.403 0.00784 0.29 0.411 0.0142 0.92 0.8514 0.8866 2062081 Enamine_003572 CCC(CC)NC(=O)COc1ccc(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C09 compound treatment 0.377 -0.0182 -0.67 0.383 -0.0138 -0.9 -1.1049 -0.9894 2062082 Enamine_003573 Fc1ccc(C(=O)Nc2ccccc2c3nc4ccccc4[nH]3)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C10 compound treatment 0.387 -0.00816 -0.3 0.385 -0.0118 -0.77 -0.7537 -0.916 2062083 Enamine_003574 Clc1ccc(cc1)c2noc(Cc3ccccc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C11 compound treatment 0.382 -0.0132 -0.48 0.38 -0.0168 -1.09 -1.1124 -0.933 2062084 Enamine_003575 CCC(=O)C1=C(CC(C)(C)CC1=O)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C12 compound treatment 0.388 -0.00716 -0.26 0.388 -0.00884 -0.57 -0.5905 -0.9377 1657403 Enamine_003576 Cc1cc(C(=O)OCC(=O)N2CCc3ccccc23)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C13 compound treatment 0.385 -0.0102 -0.37 0.387 -0.00984 -0.64 -0.7142 -0.9675 2062085 Enamine_003577 CC1(C)CC(=O)C=C(C1)Nc2ccc(N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C14 compound treatment 0.39 -0.00516 -0.19 0.394 -0.00284 -0.18 -0.264 -0.9999 1666638 Enamine_003578 Clc1cccc(Cl)c1COC(=O)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C15 compound treatment 0.385 -0.0102 -0.37 0.38 -0.0168 -1.09 -1.0345 -0.8979 1140373 Enamine_003579 CC1(C)CCCC2=C1CC(C(C2)C(=O)NCc3cccnc3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C16 compound treatment 0.39 -0.00516 -0.19 0.392 -0.00484 -0.31 -0.3555 -0.9709 2062086 Enamine_003580 COc1ccccc1NC2=NCC(C)S2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C17 compound treatment 0.394 -0.00116 -0.04 0.413 0.0162 1.05 0.7093 0.6778 2062087 Enamine_003581 O=C1CCCC(=O)C1=CNCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C18 compound treatment 0.458 0.0628 2.31 0.464 0.0672 4.35 4.7048 0.9562 2062088 Enamine_003582 Nc1sc2CCCc2c1c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C19 compound treatment 0.387 -0.00816 -0.3 0.379 -0.0178 -1.15 -1.0283 -0.862 1237763 Enamine_003583 CCc1ccc(NC(=O)C(C)OC(=O)c2cccnc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C20 compound treatment 0.381 -0.0142 -0.52 0.383 -0.0138 -0.9 -1.0011 -0.9665 2062089 Enamine_003584 Cc1noc2[nH]c(nc(=O)c12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C21 compound treatment 0.381 -0.0142 -0.52 0.383 -0.0138 -0.9 -1.0011 -0.9665 1412112 Enamine_003585 Brc1ccccc1NC(=O)COC(=O)CCC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C22 compound treatment 0.379 -0.0162 -0.59 0.38 -0.0168 -1.09 -1.1903 -0.9591 2062090 Enamine_003586 Fc1ccccc1c2nc(C#N)c(o2)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C23 mock treatment 0.373 -0.0222 -0.81 0.378 -0.0188 -1.22 -1.4376 -0.9807 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 C24 mock treatment 0.379 -0.0162 -0.59 0.381 -0.0158 -1.03 -1.1445 -0.9662 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D01 compound treatment 0.399 0.00384 0.14 0.396 -8.44E-4 -0.05 0.0612 0.4044 2062091 Enamine_003587 CC1(CC2CC(C)(C)C1)CN2CC(O)COc3ccc(F)cc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D02 compound treatment 0.397 0.00184 0.07 0.396 -8.44E-4 -0.05 0.0093 0.1065 1521464 Enamine_003588 O=C(OCc1ccccc1)C2CCC(=O)N2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D03 compound treatment 0.418 0.0228 0.84 0.416 0.0192 1.24 1.4697 0.9819 2062092 Enamine_003589 Nc1cc(ccc1Cl)C(=O)OCC(=O)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D04 compound treatment 0.396 8.44E-4 0.03 0.385 -0.0118 -0.77 -0.52 -0.678 2062093 Enamine_003590 Cc1cccc(C2CCCCC2)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D05 compound treatment 0.403 0.00784 0.29 0.398 0.00116 0.07 0.2566 0.8622 2062094 Enamine_003591 Cc1ccccc1Nc2nc(CCl)cs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D06 compound treatment 0.393 -0.00216 -0.08 0.396 -8.44E-4 -0.05 -0.0946 -0.9835 2062095 Enamine_003592 O/C(=C(\C#N)/c1nnc2CCCCCn12)/CCl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D07 compound treatment 0.404 0.00884 0.32 0.405 0.00816 0.53 0.6029 0.9728 2062096 Enamine_003593 Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)/C(=O)NCc3ccncc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D08 compound treatment 0.447 0.0518 1.9 0.445 0.0482 3.12 3.5497 0.9721 2062097 Enamine_003594 CC1Cc2ccccc2N1C(=O)COc3ccc(cc3)C(=O)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D09 compound treatment 0.416 0.0208 0.77 0.422 0.0252 1.63 1.6923 0.9408 2062098 Enamine_003595 Fc1ccc(NC(=O)CCC(=O)c2cccs2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D10 compound treatment 0.401 0.00584 0.21 0.397 1.56E-4 0.01 0.1589 0.7396 1455789 Enamine_003596 Cc1cc(C(=O)OCC(=O)N2CCCCC2)c(C)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D11 compound treatment 0.413 0.0178 0.66 0.414 0.0172 1.11 1.2484 0.9684 2062099 Enamine_003597 COc1ccccc1OCC(=O)Nc2cccc(Cl)c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D12 compound treatment 0.468 0.0728 2.67 0.491 0.0942 6.09 6.1999 0.9317 2062100 Enamine_003598 O=C(Nc1ccccc1N2CCCCC2)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D13 compound treatment 0.402 0.00684 0.25 0.409 0.0122 0.79 0.734 0.8888 2062101 Enamine_003599 Cc1ccc(s1)C(=O)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D14 compound treatment 0.404 0.00884 0.32 0.398 0.00116 0.07 0.2825 0.8478 2062102 Enamine_003600 CNc1ccc(cc1)c2c(C#N)c(C#N)c(N)n2c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D15 compound treatment 0.398 0.00284 0.1 0.396 -8.44E-4 -0.05 0.0352 0.299 2062103 Enamine_003601 CN(C(=O)c1ccc(F)cc1)c2ccc(OCC(=O)NCc3ccncc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D16 compound treatment 0.405 0.00984 0.36 0.399 0.00216 0.14 0.3543 0.9143 2062104 Enamine_003602 Nc1sc2ccccc2[n+]1CC(=O)Nc3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D17 compound treatment 0.408 0.0128 0.47 0.408 0.0112 0.72 0.844 0.9787 2062105 Enamine_003603 CC(C)(CO)NC(=O)C1(CC2CC3CC(Cl)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D18 compound treatment 0.403 0.00784 0.29 0.402 0.00516 0.33 0.4396 0.9973 2062106 Enamine_003604 CNC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D19 compound treatment 0.4 0.00484 0.18 0.401 0.00416 0.27 0.316 0.9798 1183313 Enamine_003605 CCn1c(nc2ccccc12)n3nc(C)cc3NC(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D20 compound treatment 0.392 -0.00316 -0.12 0.404 0.00716 0.46 0.2455 0.5143 2062107 Enamine_003606 O=C(OCc1csc(n1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D21 compound treatment 0.402 0.00684 0.25 0.394 -0.00284 -0.18 0.0476 0.1528 1693937 Enamine_003607 Cc1cc(C)cc(NC(=O)COc2ccccc2C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D22 compound treatment 0.394 -0.00116 -0.04 0.391 -0.00584 -0.38 -0.2974 -0.7816 2062108 Enamine_003608 CN(C1CCN(C)CC1)C(=O)c2cc(nc3ccccc23)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D23 mock treatment 0.395 -1.56E-4 -0.01 0.396 -8.44E-4 -0.05 -0.0427 -0.7771 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 D24 mock treatment 0.393 -0.00216 -0.08 0.392 -0.00484 -0.31 -0.2776 -0.8588 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E01 compound treatment 0.393 -0.00216 -0.08 0.398 0.00116 0.07 -0.0031 -0.0283 1145704 Enamine_003609 Cc1ccc(cc1)C(=O)COC(=O)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E02 compound treatment 0.409 0.0138 0.51 0.413 0.0162 1.05 1.0988 0.9451 2062109 Enamine_003610 Clc1cccc(/C=C/C(=O)OCC(=O)NC2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E03 compound treatment 0.412 0.0168 0.62 0.411 0.0142 0.92 1.0851 0.9817 1598111 Enamine_003611 Clc1ccc2sc(SCC(=O)NC3CCCC3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E04 compound treatment 0.411 0.0158 0.58 0.417 0.0202 1.3 1.3337 0.9338 2062110 Enamine_003612 COc1ccc(C(=O)Nc2ccn(n2)c3ccccc3)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E05 compound treatment 0.417 0.0218 0.8 0.411 0.0142 0.92 1.215 0.9978 1531400 Enamine_003613 Oc1c(ccc2cccnc12)C(N3CCCCC3)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E06 compound treatment 0.401 0.00584 0.21 0.398 0.00116 0.07 0.2046 0.9005 1343700 Enamine_003614 O=C(CCC1CCCC1)OCc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E07 compound treatment 0.401 0.00584 0.21 0.407 0.0102 0.66 0.6165 0.8917 2062111 Enamine_003615 O=C(Cc1ccccc1)Nc2ccc(cc2)c3nnc4CCCCCn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E08 compound treatment 0.419 0.0238 0.88 0.42 0.0232 1.5 1.6787 0.9673 2062112 Enamine_003616 CC(C)N(C(C)C)C(=O)c1sc2ccccc2c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E09 compound treatment 0.41 0.0148 0.55 0.414 0.0172 1.11 1.1705 0.9464 2062113 Enamine_003617 COC(=O)c1ccc(COC(=O)c2cccc(c2)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E10 compound treatment 0.45 0.0548 2.01 0.445 0.0482 3.12 3.6276 0.9777 2062114 Enamine_003618 Cc1ccc(C)n1c2cc(ccc2C)S(=O)(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E11 compound treatment 0.425 0.0298 1.1 0.416 0.0192 1.24 1.6515 0.9981 2062115 Enamine_003619 O=C1CC(CC(=O)C1=CNCc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E12 compound treatment 0.406 0.0108 0.4 0.405 0.00816 0.53 0.6548 0.9903 1292265 Enamine_003620 O=C(CSc1nc2ccccc2c(=O)n1c3ccccc3)NC4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E13 compound treatment 0.414 0.0188 0.69 0.425 0.0282 1.82 1.7777 0.9121 1402902 Enamine_003621 N(c1cc([nH]n1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E14 compound treatment 0.398 0.00284 0.1 0.399 0.00216 0.14 0.1725 0.9898 2062116 Enamine_003622 Clc1cccc(Cl)c1COC(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E15 compound treatment 0.402 0.00684 0.25 0.41 0.0132 0.85 0.7797 0.8784 1490983 Enamine_003623 C(C1COC2(CCCC2)O1)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E16 compound treatment 0.406 0.0108 0.4 0.409 0.0122 0.79 0.8378 0.9502 2062117 Enamine_003624 Fc1ccc(cc1)C(=O)C(C#N)c2nc3ccccc3c(=O)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E17 compound treatment 0.414 0.0188 0.69 0.407 0.0102 0.66 0.954 0.9997 2062118 Enamine_003625 CC(C)(C)c1ccc(CCC2OCC(CN3CCOCC3)O2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E18 compound treatment 0.413 0.0178 0.66 0.41 0.0132 0.85 1.0653 0.9916 2062119 Enamine_003626 CC1(C)CSC(=N1)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E19 compound treatment 0.433 0.0378 1.39 0.434 0.0372 2.4 2.6829 0.966 1490946 Enamine_003627 O=C(COC(=O)c1cc(nc2ccccc12)c3ccccc3)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E20 compound treatment 0.404 0.00884 0.32 0.404 0.00716 0.46 0.5571 0.9849 2062120 Enamine_003628 FC(F)(F)c1nc2ccc3ccccc3c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E21 compound treatment 0.403 0.00784 0.29 0.401 0.00416 0.27 0.3939 0.9994 2062121 Enamine_003629 O=C(COC(=O)/C=C/c1ccccc1)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E22 compound treatment 0.408 0.0128 0.47 0.41 0.0132 0.85 0.9355 0.9612 2062122 Enamine_003630 CCCC(C)Nc1oc(nc1C#N)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E23 mock treatment 0.395 -1.56E-4 -0.01 0.393 -0.00384 -0.25 -0.1799 -0.7232 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 E24 mock treatment 0.396 8.44E-4 0.03 0.398 0.00116 0.07 0.0748 0.9238 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F01 compound treatment 0.404 0.00884 0.32 0.405 0.00816 0.53 0.6029 0.9728 2062123 Enamine_003631 CCC(C)NC(=O)/C(=C/c1ccc(F)cc1)/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F02 compound treatment 0.403 0.00784 0.29 0.406 0.00916 0.59 0.6226 0.9451 2062124 Enamine_003632 O=C(OCc1ccccc1)c2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F03 compound treatment 0.416 0.0208 0.77 0.415 0.0182 1.17 1.372 0.9784 2062125 Enamine_003633 Clc1ccc(s1)C2=C(C(=O)OC2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F04 compound treatment 0.409 0.0138 0.51 0.403 0.00616 0.4 0.6412 0.9927 2062126 Enamine_003634 CN(C)C(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F05 compound treatment 0.405 0.00984 0.36 0.414 0.0172 1.11 1.0406 0.8913 2062127 Enamine_003635 CC1CCCCC1NC2=NC(C)(C)CS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F06 compound treatment 0.41 0.0148 0.55 0.409 0.0122 0.79 0.9417 0.9839 2062128 Enamine_003636 CC1CCCC(NC(=O)CSc2nc3ccccc3nc2C)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F07 compound treatment 0.408 0.0128 0.47 0.406 0.00916 0.59 0.7525 0.9936 2062129 Enamine_003637 CC1(C)CSC(=N1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F08 compound treatment 0.388 -0.00716 -0.26 0.405 0.00816 0.53 0.1874 0.3178 2062130 Enamine_003638 CCN(C1CCCCC1)C(=O)CSc2nc3ccccc3nc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F09 compound treatment 0.41 0.0148 0.55 0.396 -8.44E-4 -0.05 0.3468 0.6331 2062131 Enamine_003639 CN(C1CCCCC1)C(=O)CSc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F10 compound treatment 0.429 0.0338 1.24 0.428 0.0312 2.02 2.3045 0.973 2062132 Enamine_003640 CCc1ccc(NC(=O)C(C)OC(=O)c2cccc(c2)N(C)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F11 compound treatment 0.446 0.0508 1.87 0.447 0.0502 3.25 3.6153 0.9655 2062133 Enamine_003641 O=C(COC(=O)c1ccc2ccccc2n1)N(Cc3ccccc3)Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F12 compound treatment 0.405 0.00984 0.36 0.408 0.0112 0.72 0.7661 0.9489 1608472 Enamine_003642 O=C(CN1C(=O)c2ccccc2S1(=O)=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F13 compound treatment 0.42 0.0248 0.91 0.428 0.0312 2.02 2.0708 0.9357 2062134 Enamine_003643 O=C(CC(c1ccccc1)c2ccccc2)Nc3nnn[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F14 compound treatment 0.413 0.0178 0.66 0.413 0.0162 1.05 1.2026 0.9747 2062135 Enamine_003644 CCOC(=O)Nc1sc2CCCCc2c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F15 compound treatment 0.432 0.0368 1.35 0.429 0.0322 2.08 2.4281 0.9783 1343684 Enamine_003645 COc1ccc2c(Cl)c(sc2c1)C(=O)Nc3ccc(cc3)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F16 compound treatment 0.417 0.0218 0.8 0.411 0.0142 0.92 1.215 0.9978 1008994 Enamine_003646 Cc1ccc(NCC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F17 compound treatment 0.42 0.0248 0.91 0.418 0.0212 1.37 1.6132 0.9805 2062136 Enamine_003647 CN(C)C(=O)CSc1nc2ccccc2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F18 compound treatment 0.418 0.0228 0.84 0.41 0.0132 0.85 1.1952 1.0 2062137 Enamine_003648 Cc1cc(C)n2nc(SCc3ccc(Cl)cc3)nc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F19 compound treatment 0.411 0.0158 0.58 0.412 0.0152 0.98 1.1049 0.9689 2062138 Enamine_003649 CCCC(NC(=O)c1ccc(Br)o1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F20 compound treatment 0.416 0.0208 0.77 0.441 0.0442 2.86 2.5617 0.866 1439982 Enamine_003650 Clc1ncccc1C(=O)OC(C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F21 compound treatment 0.41 0.0148 0.55 0.407 0.0102 0.66 0.8502 0.9957 1252712 Enamine_003651 O=C(COC(=O)C1CC2CC1C=C2)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F22 compound treatment 0.404 0.00884 0.32 0.404 0.00716 0.46 0.5571 0.9849 2062139 Enamine_003652 COc1ccc(CCNC(=O)c2coc3ccccc3c2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F23 mock treatment 0.4 0.00484 0.18 0.407 0.0102 0.66 0.5905 0.8673 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 F24 mock treatment 0.406 0.0108 0.4 0.399 0.00216 0.14 0.3802 0.9012 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G01 compound treatment 0.393 -0.00216 -0.08 0.4 0.00316 0.2 0.0884 0.4037 2062140 Enamine_003653 Nc1cc(Cl)ccc1C(=O)OCC(=O)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G02 compound treatment 0.406 0.0108 0.4 0.399 0.00216 0.14 0.3802 0.9012 2062141 Enamine_003654 Cc1cc(NC(=O)Cc2cn3ccsc3n2)n(n1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G03 compound treatment 0.395 -1.56E-4 -0.01 0.392 -0.00484 -0.31 -0.2257 -0.7199 1362405 Enamine_003655 CCCc1nc2ccccc2c(C(=O)OCC(=O)NC3CC3)c1CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G04 compound treatment 0.406 0.0108 0.4 0.409 0.0122 0.79 0.8378 0.9502 2062142 Enamine_003656 O=C(OCc1ccccc1)c2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G05 compound treatment 0.402 0.00684 0.25 0.396 -8.44E-4 -0.05 0.1391 0.5409 2062143 Enamine_003657 CCN(Cc1ccncc1)C(=O)COc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G06 compound treatment 0.404 0.00884 0.32 0.406 0.00916 0.59 0.6486 0.9599 2062144 Enamine_003658 Clc1ccc(COC(=O)Cc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G07 compound treatment 0.425 0.0298 1.1 0.404 0.00716 0.46 1.1024 0.9266 2062145 Enamine_003659 COc1ccccc1n2c(SC(C)C)nc3ccccc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G08 compound treatment 0.405 0.00984 0.36 0.402 0.00516 0.33 0.4915 0.9992 2062146 Enamine_003660 COc1cc(OC)cc(c1)C(=O)Nc2cc(C)nn2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G09 compound treatment 0.396 8.44E-4 0.03 0.393 -0.00384 -0.25 -0.154 -0.6143 2062147 Enamine_003661 CC(OC(=O)c1ccc(C#N)cc1)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G10 compound treatment 0.402 0.00684 0.25 0.398 0.00116 0.07 0.2306 0.8795 2062148 Enamine_003662 Clc1c(sc2ccccc12)C(=O)NCCCN3CCCC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G11 compound treatment 0.395 -1.56E-4 -0.01 0.401 0.00416 0.27 0.1861 0.6919 2062149 Enamine_003663 CC1(C)CC(=O)c2c(Cc3ccccc3)n[nH]c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G12 compound treatment 0.427 0.0318 1.17 0.425 0.0282 1.82 2.1152 0.977 1377439 Enamine_003664 COc1cc(OC)cc(c1)C(=O)NC2C3CC4CC(C3)CC2C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G13 compound treatment 0.407 0.0118 0.43 0.412 0.0152 0.98 1.0011 0.933 2062150 Enamine_003665 COC(=O)c1ccccc1NC(=O)c2ccc3OC(C)Cc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G14 compound treatment 0.399 0.00384 0.14 0.405 0.00816 0.53 0.473 0.8658 1339513 Enamine_003666 COc1ccc(CNC(=O)COC(=O)CC2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G15 compound treatment 0.399 0.00384 0.14 0.4 0.00316 0.2 0.2442 0.9837 1265831 Enamine_003667 C(C1COC2(CCCC2)O1)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G16 compound treatment 0.402 0.00684 0.25 0.398 0.00116 0.07 0.2306 0.8795 1912619 Enamine_003668 CCOC(=O)c1c(oc2ccc(O)cc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G17 compound treatment 0.463 0.0678 2.49 0.478 0.0812 5.25 5.4752 0.9419 2062151 Enamine_003669 Nc1ccccc1NC=C2C(=O)CC(CC2=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G18 compound treatment 0.45 0.0548 2.01 0.454 0.0572 3.7 4.0395 0.9592 2062152 Enamine_003670 Cc1ccc2nc(NCc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G19 compound treatment 0.396 8.44E-4 0.03 0.399 0.00216 0.14 0.1206 0.8436 1574845 Enamine_003671 COc1ccc(NC2CS(=O)(=O)C=C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G20 compound treatment 0.403 0.00784 0.29 0.399 0.00216 0.14 0.3023 0.9446 2062153 Enamine_003672 Cc1cccnc1NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G21 compound treatment 0.401 0.00584 0.21 0.402 0.00516 0.33 0.3877 0.9772 1235199 Enamine_003673 O=C(Cc1ccccc1)OCC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G22 compound treatment 0.395 -1.56E-4 -0.01 0.396 -8.44E-4 -0.05 -0.0427 -0.7771 2062154 Enamine_003674 CN1CCCN(CC1)C(=O)c2ccc(Oc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G23 mock treatment 0.398 0.00284 0.1 0.393 -0.00384 -0.25 -0.102 -0.3783 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 G24 mock treatment 0.395 -1.56E-4 -0.01 0.397 1.56E-4 0.01 0.0031 0.266 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H01 compound treatment 0.401 0.00584 0.21 0.393 -0.00384 -0.25 -0.0241 -0.0735 2062155 Enamine_003675 Clc1ccc(C#N)c(NC(=O)CSc2ccccn2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H02 compound treatment 0.402 0.00684 0.25 0.395 -0.00184 -0.12 0.0933 0.3355 1122390 Enamine_003676 CN(Cc1ccccc1)C(=O)COC(=O)C2CC3CC2C=C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H03 compound treatment 0.399 0.00384 0.14 0.402 0.00516 0.33 0.3357 0.9267 2062156 Enamine_003677 C(c1nc2ccccc2[nH]1)c3nnc4CCCCCn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H04 compound treatment 0.398 0.00284 0.1 0.398 0.00116 0.07 0.1267 0.9866 2062157 Enamine_003678 BrCCOC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H05 compound treatment 0.402 0.00684 0.25 0.4 0.00316 0.2 0.3221 0.9947 2062158 Enamine_003679 Cn1[nH]c(=S)sc1=NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H06 compound treatment 0.396 8.44E-4 0.03 0.396 -8.44E-4 -0.05 -0.0167 -0.266 2062159 Enamine_003680 COc1ccc(OCc2nnc3CCCn23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H07 compound treatment 0.412 0.0168 0.62 0.404 0.00716 0.46 0.7648 0.9898 1657457 Enamine_003681 Cc1ccc(C)n1CCN2CCN(CC2)C(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H08 compound treatment 0.404 0.00884 0.32 0.397 1.56E-4 0.01 0.2368 0.7288 2062160 Enamine_003682 CCC(=O)c1ccc(OCC(=O)N2C(C)Cc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H09 compound treatment 0.62 0.225 8.26 0.633 0.236 15.28 16.6445 0.9582 2062161 Enamine_003683 O=C/1Nc2ccccc2\C1=C\c3ccc(cc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H10 compound treatment 0.405 0.00984 0.36 0.398 0.00116 0.07 0.3085 0.8358 1125640 Enamine_003684 CC(OC(=O)C1(CC2CC3CC(C2)C1)C3)C(=O)Nc4ccc(NC(=O)C)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H11 compound treatment 0.387 -0.00816 -0.3 0.387 -0.00984 -0.64 -0.6622 -0.9408 2062162 Enamine_003685 Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H12 compound treatment 0.411 0.0158 0.58 0.403 0.00616 0.4 0.6931 0.9829 1446689 Enamine_003686 Nc1cc(ccc1Cl)C(=O)OCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H13 compound treatment 0.4 0.00484 0.18 0.412 0.0152 0.98 0.8193 0.8219 2062163 Enamine_003687 CN1CCCN(CC1)C(=O)/C=C/c2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H14 compound treatment 0.401 0.00584 0.21 0.402 0.00516 0.33 0.3877 0.9772 2062164 Enamine_003688 Cc1csc2nc(CS(=O)(=O)c3ccc(Cl)cc3)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H15 compound treatment 0.402 0.00684 0.25 0.405 0.00816 0.53 0.5509 0.9424 2062165 Enamine_003689 Cc1nc2ccccc2nc1SCC(=O)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H16 compound treatment 0.562 0.167 6.13 0.55 0.153 9.91 11.3405 0.9733 2062166 Enamine_003690 COc1cccc(c1)C(=O)Nc2c[n+](no2)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H17 compound treatment 0.411 0.0158 0.58 0.412 0.0152 0.98 1.1049 0.9689 1690188 Enamine_003691 CC1CC1C(=O)OCC(=O)Nc2ccccc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H18 compound treatment 0.4 0.00484 0.18 0.398 0.00116 0.07 0.1787 0.926 1592080 Enamine_003692 OCCNC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H19 compound treatment 0.407 0.0118 0.43 0.408 0.0112 0.72 0.818 0.9706 1512479 Enamine_003693 CN(C(=O)C)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H20 compound treatment 0.441 0.0458 1.68 0.442 0.0452 2.92 3.2567 0.9657 2062167 Enamine_003694 Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3=NCCS3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H21 compound treatment 0.393 -0.00216 -0.08 0.399 0.00216 0.14 0.0427 0.266 2062168 Enamine_003695 COc1ccccc1CNCC(O)Cn2c3ccccc3c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H22 compound treatment 0.394 -0.00116 -0.04 0.401 0.00416 0.27 0.1602 0.5882 1193626 Enamine_003696 CCOC(=O)C1CCCN(C1)C(=O)c2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H23 mock treatment 0.405 0.00984 0.36 0.397 1.56E-4 0.01 0.2628 0.7266 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 H24 mock treatment 0.393 -0.00216 -0.08 0.403 0.00616 0.4 0.2257 0.5557 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I01 compound treatment 0.406 0.0108 0.4 0.404 0.00716 0.46 0.609 0.9972 1255397 Enamine_003697 O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I02 compound treatment 0.411 0.0158 0.58 0.404 0.00716 0.46 0.7389 0.9936 2062169 Enamine_003698 O=C(CSc1cnc2ccccc2n1)NC3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I03 compound treatment 0.405 0.00984 0.36 0.405 0.00816 0.53 0.6288 0.983 2062170 Enamine_003699 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)OCC(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I04 compound treatment 0.401 0.00584 0.21 0.403 0.00616 0.4 0.4334 0.9579 2062171 Enamine_003700 Cn1ccnc1SCC(=O)c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I05 compound treatment 0.489 0.0938 3.45 0.472 0.0752 4.86 5.8758 0.9858 2062172 Enamine_003701 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)c2c(C)cc3ccccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I06 compound treatment 0.412 0.0168 0.62 0.405 0.00816 0.53 0.8106 0.9969 2062173 Enamine_003702 Cc1[nH]c2ccccc2c1/C=N/c3ccccc3Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I07 compound treatment 0.416 0.0208 0.77 0.404 0.00716 0.46 0.8687 0.971 2062174 Enamine_003703 O=C(OCc1nc2ccccc2s1)/C=C/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I08 compound treatment 0.412 0.0168 0.62 0.41 0.0132 0.85 1.0394 0.9877 2062175 Enamine_003704 NS(=O)(=O)c1ccc(CNC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I09 compound treatment 0.41 0.0148 0.55 0.419 0.0222 1.43 1.3993 0.9122 2062176 Enamine_003705 FC(F)(F)c1cc(Cl)ccc1NC(=O)C(OC(=O)c2ccncc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I10 compound treatment 0.408 0.0128 0.47 0.414 0.0172 1.11 1.1185 0.9273 2062177 Enamine_003706 FC(F)(F)c1ccc(nc1)n2ncc3c(=O)[nH]cnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I11 compound treatment 0.412 0.0168 0.62 0.405 0.00816 0.53 0.8106 0.9969 2062178 Enamine_003707 CC1(C)CC(=O)C(=C(N)Cc2ccccc2)C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I12 compound treatment 0.42 0.0248 0.91 0.412 0.0152 0.98 1.3386 0.9993 1612048 Enamine_003708 CCc1ccc(OCC(=O)OCC(=O)N2CCc3ccccc3C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I13 compound treatment 0.417 0.0218 0.8 0.414 0.0172 1.11 1.3522 0.9873 2062179 Enamine_003709 COc1cc(CNCc2cccnc2)ccc1OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I14 compound treatment 0.408 0.0128 0.47 0.407 0.0102 0.66 0.7982 0.9868 1423680 Enamine_003710 O=C(COC(=O)C1c2ccccc2Oc3ccccc13)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I15 compound treatment 0.401 0.00584 0.21 0.397 1.56E-4 0.01 0.1589 0.7396 2062180 Enamine_003711 CC(C)(C)C1CCC(CC1)OC(=O)CN2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I16 compound treatment 0.402 0.00684 0.25 0.401 0.00416 0.27 0.3679 0.9994 2062181 Enamine_003712 Cc1ccc(cc1)C(=O)OCCOc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I17 compound treatment 0.407 0.0118 0.43 0.42 0.0232 1.5 1.3671 0.8762 2062182 Enamine_003713 CC1(C)CC(=O)C(=C(Cc2ccccc2)NCC=C)C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I18 compound treatment 0.483 0.0878 3.23 0.491 0.0942 6.09 6.5894 0.9558 2062183 Enamine_003714 Cc1ccc(/C=C/2\N=C(OC2=O)c3ccccc3)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I19 compound treatment 0.413 0.0178 0.66 0.409 0.0122 0.79 1.0196 0.9959 2062184 Enamine_003715 FC(F)(F)c1ccc(Cl)c(NC(=O)CSC2=NCCN2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I20 compound treatment 0.407 0.0118 0.43 0.412 0.0152 0.98 1.0011 0.933 2062185 Enamine_003716 CC(C)Nc1ccccn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I21 compound treatment 0.384 -0.0112 -0.41 0.388 -0.00884 -0.57 -0.6944 -0.9866 2062186 Enamine_003717 Nc1ccc(Br)cc1C(O)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I22 compound treatment 0.448 0.0528 1.94 0.452 0.0552 3.57 3.896 0.959 2062187 Enamine_003718 FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc3cn[nH]c3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I23 mock treatment 0.401 0.00584 0.21 0.404 0.00716 0.46 0.4792 0.9389 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 I24 mock treatment 0.4 0.00484 0.18 0.404 0.00716 0.46 0.4532 0.9136 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J01 compound treatment 0.407 0.0118 0.43 0.397 1.56E-4 0.01 0.3147 0.7234 2062188 Enamine_003719 Cc1csc(NC(=O)c2sc3cc(F)ccc3c2Cl)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J02 compound treatment 0.397 0.00184 0.07 0.391 -0.00584 -0.38 -0.2195 -0.5714 1397171 Enamine_003720 O=C(COC(=O)C1CC2CC1C=C2)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J03 compound treatment 0.396 8.44E-4 0.03 0.4 0.00316 0.2 0.1663 0.8052 1493593 Enamine_003721 CC(C)NC(=O)c1sc2CCCCc2c1C(=O)Nc3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J04 compound treatment 0.401 0.00584 0.21 0.395 -0.00184 -0.12 0.0674 0.2744 2062189 Enamine_003722 CC(O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J05 compound treatment 0.402 0.00684 0.25 0.403 0.00616 0.4 0.4594 0.9753 2062190 Enamine_003723 Cc1ccc(cc1)C(=O)Oc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J06 compound treatment 0.412 0.0168 0.62 0.402 0.00516 0.33 0.6733 0.958 2062191 Enamine_003724 CN(CCO)C(=O)c1cc(nc2ccccc12)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J07 compound treatment 0.4 0.00484 0.18 0.399 0.00216 0.14 0.2244 0.9928 2062192 Enamine_003725 CCNc1nc2c(C)cccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J08 compound treatment 0.402 0.00684 0.25 0.404 0.00716 0.46 0.5052 0.9588 2062193 Enamine_003726 COc1ccc(C)cc1NC(=O)c2cc3CCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J09 compound treatment 0.44 0.0448 1.65 0.435 0.0382 2.47 2.9104 0.9806 1541888 Enamine_003727 Cc1cc(C(=O)OCC(=O)Nc2ccccc2)c(C)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J10 compound treatment 0.447 0.0518 1.9 0.433 0.0362 2.34 3.0006 0.9948 1682803 Enamine_003728 O=C(NCCc1c[nH]c2ccccc12)c3ccc(cc3)S(=O)(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J11 compound treatment 0.435 0.0398 1.46 0.431 0.0342 2.21 2.5975 0.9799 2062194 Enamine_003729 NC(=O)c1ccccc1NC(=O)COC(=O)CC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J12 compound treatment 0.4 0.00484 0.18 0.395 -0.00184 -0.12 0.0414 0.1933 2062195 Enamine_003730 COc1cc(Cl)c(C)cc1NC(=O)c2cnc(C)cn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J13 compound treatment 0.403 0.00784 0.29 0.393 -0.00384 -0.25 0.0278 0.073 2062196 Enamine_003731 C(Oc1ccccc1c2ccccc2)c3nnc4CCCn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J14 compound treatment 0.397 0.00184 0.07 0.394 -0.00284 -0.18 -0.0822 -0.4195 2062197 Enamine_003732 OC(=O)/C=C/c1cccs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J15 compound treatment 0.393 -0.00216 -0.08 0.399 0.00216 0.14 0.0427 0.266 1486109 Enamine_003733 OC(=O)c1ccccc1OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J16 compound treatment 0.399 0.00384 0.14 0.394 -0.00284 -0.18 -0.0303 -0.1307 2062198 Enamine_003734 CN(C(=O)c1ccc(C)cc1)S(=O)(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J17 compound treatment 0.401 0.00584 0.21 0.407 0.0102 0.66 0.6165 0.8917 2062199 Enamine_003735 O=C(NC(Cc1nc2ccccc2[nH]1)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J18 compound treatment 0.438 0.0428 1.57 0.44 0.0432 2.79 3.0872 0.9631 1153102 Enamine_003736 Cc1ccc(NC(=O)Cn2nnc(n2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J19 compound treatment 0.403 0.00784 0.29 0.403 0.00616 0.4 0.4854 0.9873 1229912 Enamine_003737 COc1cccc(NC(=O)CCCC(=O)Nc2cccc(OC)c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J20 compound treatment 0.399 0.00384 0.14 0.401 0.00416 0.27 0.29 0.9547 2062200 Enamine_003738 Cc1cnc(cn1)C(=O)Nc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J21 compound treatment 0.398 0.00284 0.1 0.399 0.00216 0.14 0.1725 0.9898 2062201 Enamine_003739 O=C(OCc1ccccc1)C2CC3CC2C=C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J22 compound treatment 0.392 -0.00316 -0.12 0.401 0.00416 0.27 0.1082 0.3695 2062202 Enamine_003740 CCOC(=O)C1CCCN(C1)C(=O)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J23 mock treatment 0.393 -0.00216 -0.08 0.422 0.0252 1.63 1.0951 0.6719 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 J24 mock treatment 0.402 0.00684 0.25 0.395 -0.00184 -0.12 0.0933 0.3355 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K01 compound treatment 0.423 0.0278 1.02 0.418 0.0212 1.37 1.6911 0.9897 2062203 Enamine_003741 Fc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K02 compound treatment 0.403 0.00784 0.29 0.402 0.00516 0.33 0.4396 0.9973 2062204 Enamine_003742 OC(CNCC1CCCO1)COC(c2ccc(Cl)cc2)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K03 compound treatment 0.401 0.00584 0.21 0.4 0.00316 0.2 0.2962 0.9997 1292517 Enamine_003743 CC(=O)Nc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K04 compound treatment 0.406 0.0108 0.4 0.4 0.00316 0.2 0.426 0.9519 2062205 Enamine_003744 CCOC(=O)C1CCCN(C1)C(=O)CSc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K05 compound treatment 0.408 0.0128 0.47 0.401 0.00416 0.27 0.5237 0.9645 2062206 Enamine_003745 Cc1cccc2nc(CBr)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K06 compound treatment 0.43 0.0348 1.28 0.413 0.0162 1.05 1.644 0.995 2062207 Enamine_003746 Clc1ccc(cc1)c2nc(C#N)c(NC3CC3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K07 compound treatment 0.405 0.00984 0.36 0.391 -0.00584 -0.38 -0.0118 -0.0225 2062208 Enamine_003747 COc1ccc(Cl)cc1/N=C/c2sccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K08 compound treatment 0.417 0.0218 0.8 0.405 0.00816 0.53 0.9404 0.9794 2062209 Enamine_003748 CC1CCCN(C1)C(=O)c2cccc(c2)S(=O)(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K09 compound treatment 0.455 0.0598 2.2 0.441 0.0442 2.86 3.5744 0.9916 1586507 Enamine_003749 CC(C)c1ccccc1NC(=O)COc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K10 compound treatment 0.414 0.0188 0.69 0.416 0.0192 1.24 1.3659 0.9621 2062210 Enamine_003750 Cc1ccc(o1)c2csc3nc(C)n(n4cccc4)c(=O)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K11 compound treatment 0.403 0.00784 0.29 0.406 0.00916 0.59 0.6226 0.9451 1917166 Enamine_003751 C/C(=C/1\C(=O)OC(C1=O)c2ccccc2)/NCCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K12 compound treatment 0.406 0.0108 0.4 0.403 0.00616 0.4 0.5633 1.0 1294197 Enamine_003752 Fc1ccc(COc2ccccc2C(=O)OCC(=O)N3CCCCC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K13 compound treatment 0.409 0.0138 0.51 0.397 1.56E-4 0.01 0.3666 0.721 2062211 Enamine_003753 COC(=O)c1ccc(Cn2cc(Br)cn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K14 compound treatment 0.372 -0.0232 -0.85 0.376 -0.0208 -1.35 -1.5551 -0.9753 2062212 Enamine_003754 Oc1cccc(c1)C(=O)OCC(=O)c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K15 compound treatment 0.405 0.00984 0.36 0.404 0.00716 0.46 0.5831 0.9925 2062213 Enamine_003755 Cc1cc(C)n(n1)C(CC(=O)N2CCc3ccccc3C2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K16 compound treatment 0.409 0.0138 0.51 0.404 0.00716 0.46 0.6869 0.9989 2062214 Enamine_003756 Fc1ccccc1OCCOC(=O)COc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K17 compound treatment 0.402 0.00684 0.25 0.401 0.00416 0.27 0.3679 0.9994 2062215 Enamine_003757 C/C(=C\1/C(=O)CSC1=O)/Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K18 compound treatment 0.402 0.00684 0.25 0.406 0.00916 0.59 0.5967 0.9271 2062216 Enamine_003758 CCCC(NC(=O)c1ccccc1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K19 compound treatment 0.4 0.00484 0.18 0.4 0.00316 0.2 0.2702 0.9976 1185220 Enamine_003759 Fc1ccccc1COC(=O)COc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K20 compound treatment 0.408 0.0128 0.47 0.399 0.00216 0.14 0.4322 0.8787 2062217 Enamine_003760 Cc1ccnc(NC2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K21 compound treatment 0.394 -0.00116 -0.04 0.39 -0.00684 -0.44 -0.3432 -0.7714 1060264 Enamine_003761 NNc1nnc(c2ccccc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K22 compound treatment 0.405 0.00984 0.36 0.402 0.00516 0.33 0.4915 0.9992 2062218 Enamine_003762 CN(C1CCN(C)CC1)C(=O)c2cc3c(C)nn(c4ccc(F)cc4)c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K23 mock treatment 0.396 8.44E-4 0.03 0.4 0.00316 0.2 0.1663 0.8052 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 K24 mock treatment 0.4 0.00484 0.18 0.398 0.00116 0.07 0.1787 0.926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L01 compound treatment 0.415 0.0198 0.73 0.417 0.0202 1.3 1.4376 0.9622 2062219 Enamine_003763 CC(C)CN1C(=O)/C(=N/c2cccnc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L02 compound treatment 0.408 0.0128 0.47 0.411 0.0142 0.92 0.9813 0.9524 2062220 Enamine_003764 CN(C(=O)CSc1nncc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L03 compound treatment 0.408 0.0128 0.47 0.402 0.00516 0.33 0.5694 0.9856 2062221 Enamine_003765 CC1CCCCC1NC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L04 compound treatment 0.406 0.0108 0.4 0.402 0.00516 0.33 0.5175 0.9961 1435482 Enamine_003766 CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L05 compound treatment 0.422 0.0268 0.99 0.4 0.00316 0.2 0.8415 0.8359 2062222 Enamine_003767 Cc1ccc(cc1)C(=O)n2c(=S)sc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L06 compound treatment 0.411 0.0158 0.58 0.404 0.00716 0.46 0.7389 0.9936 2062223 Enamine_003768 CC1CCCCN1C(=O)c2cc(nc3ccccc23)c4ccc(C)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L07 compound treatment 0.402 0.00684 0.25 0.405 0.00816 0.53 0.5509 0.9424 2062224 Enamine_003769 CC(C)CC(N1C(=O)C2CC=CCC2C1=O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L08 compound treatment 0.415 0.0198 0.73 0.414 0.0172 1.11 1.3003 0.9792 2062225 Enamine_003770 Clc1ccccc1NC(=O)c2cc3CCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L09 compound treatment 0.409 0.0138 0.51 0.418 0.0212 1.37 1.3275 0.909 2062226 Enamine_003771 COc1ccccc1C(=O)OCC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L10 compound treatment 0.436 0.0408 1.5 0.432 0.0352 2.28 2.6692 0.9796 2062227 Enamine_003772 Fc1ccccc1C2(CCCC2)C(=O)OCC(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L11 compound treatment 0.443 0.0478 1.76 0.435 0.0382 2.47 2.9883 0.9861 1199151 Enamine_003773 Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccco3)c2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L12 compound treatment 0.408 0.0128 0.47 0.407 0.0102 0.66 0.7982 0.9868 1830717 Enamine_003774 CC(OC(=O)c1cccnc1)C(=O)Nc2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L13 compound treatment 0.452 0.0568 2.09 0.43 0.0332 2.15 2.9932 0.9999 2062228 Enamine_003775 CC1Cc2ccccc2N1C(=O)COc3ccccc3C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L14 compound treatment 0.4 0.00484 0.18 0.392 -0.00484 -0.31 -0.0959 -0.266 2062229 Enamine_003776 OC1(CN(C2=[N+]1CCCS2)c3ccccc3)c4ccc(Br)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L15 compound treatment 0.413 0.0178 0.66 0.405 0.00816 0.53 0.8366 0.9942 2062230 Enamine_003777 O=C(OCc1ccccc1)c2ccccc2C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L16 compound treatment 0.409 0.0138 0.51 0.399 0.00216 0.14 0.4581 0.869 1126057 Enamine_003778 O=C(NCCc1nc2ccccc2[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L17 compound treatment 0.374 -0.0212 -0.78 0.366 -0.0308 -2.0 -1.9607 -0.9154 1109563 Enamine_003779 Oc1ccc(cc1)S(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L18 compound treatment 0.402 0.00684 0.25 0.405 0.00816 0.53 0.5509 0.9424 2062231 Enamine_003780 OC(=O)CCc1nc2ccccc2n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L19 compound treatment 0.407 0.0118 0.43 0.413 0.0162 1.05 1.0468 0.9245 2062232 Enamine_003781 Cc1ccc(C)c(NCCOc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L20 compound treatment 0.403 0.00784 0.29 0.41 0.0132 0.85 0.8057 0.8964 2062233 Enamine_003782 Cc1nnc(SCc2cn3cc(Br)ccc3n2)n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L21 compound treatment 0.402 0.00684 0.25 0.395 -0.00184 -0.12 0.0933 0.3355 2062234 Enamine_003783 CCOc1ccccc1/C=N/c2ccc(OC(F)(F)F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L22 compound treatment 0.4 0.00484 0.18 0.404 0.00716 0.46 0.4532 0.9136 2062235 Enamine_003784 CCOC(=O)C1CCCN(C1)C(=O)COc2ccc(C)c(C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L23 mock treatment 0.406 0.0108 0.4 0.407 0.0102 0.66 0.7463 0.9712 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 L24 mock treatment 0.396 8.44E-4 0.03 0.401 0.00416 0.27 0.2121 0.7834 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M01 compound treatment 0.402 0.00684 0.25 0.397 1.56E-4 0.01 0.1849 0.735 2062236 Enamine_003785 CC1CCCC(NC(=O)COC(=O)/C=C/c2ccco2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M02 compound treatment 0.426 0.0308 1.13 0.426 0.0292 1.89 2.135 0.9702 2062237 Enamine_003786 CCN1CCc2nc(NC(=O)c3ccccc3)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M03 compound treatment 0.423 0.0278 1.02 0.399 0.00216 0.14 0.8217 0.7962 2062238 Enamine_003787 CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1c3ccc(F)cc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M04 compound treatment 0.403 0.00784 0.29 0.406 0.00916 0.59 0.6226 0.9451 1616781 Enamine_003788 CCOc1ncccc1C(=O)OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M05 compound treatment 0.409 0.0138 0.51 0.41 0.0132 0.85 0.9615 0.9696 1372754 Enamine_003789 Oc1c(ccc2cccnc12)C(N3CCCCC3)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M06 compound treatment 0.41 0.0148 0.55 0.404 0.00716 0.46 0.7129 0.9967 2062239 Enamine_003790 C(Sc1nncc2ccccc12)c3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M07 compound treatment 0.401 0.00584 0.21 0.398 0.00116 0.07 0.2046 0.9005 2062240 Enamine_003791 OCc1ccccc1/N=C/c2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M08 compound treatment 0.399 0.00384 0.14 0.406 0.00916 0.59 0.5188 0.8517 2062241 Enamine_003792 Cn1ccnc1SCc2cn3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M09 compound treatment 0.428 0.0328 1.21 0.42 0.0232 1.5 1.9124 0.9942 2062242 Enamine_003793 Clc1cccc(Cl)c1COC(=O)/C=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M10 compound treatment 0.357 -0.0382 -1.4 0.35 -0.0468 -3.03 -3.1343 -0.9385 2062243 Enamine_003794 Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M11 compound treatment 0.404 0.00884 0.32 0.405 0.00816 0.53 0.6029 0.9728 2062244 Enamine_003795 CCC(=C1C(=O)CC(C)(C)CC1=O)Nc2ccc(N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M12 compound treatment 0.404 0.00884 0.32 0.406 0.00916 0.59 0.6486 0.9599 2062245 Enamine_003796 O=C/1OC(=N\C1=C\c2c[nH]c3ccccc23)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M13 compound treatment 0.405 0.00984 0.36 0.397 1.56E-4 0.01 0.2628 0.7266 1413851 Enamine_003797 OC(=O)c1cccc(Cn2cc(Cl)cn2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M14 compound treatment 0.406 0.0108 0.4 0.402 0.00516 0.33 0.5175 0.9961 2062246 Enamine_003798 CCSc1nnc(c2ccc(OC)cc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M15 compound treatment 0.397 0.00184 0.07 0.399 0.00216 0.14 0.1465 0.9449 1723710 Enamine_003799 C(C1COC2(CCCCC2)O1)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M16 compound treatment 0.398 0.00284 0.1 0.396 -8.44E-4 -0.05 0.0352 0.299 2062247 Enamine_003800 Cc1ccc(cc1)C(=O)OCCOc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M17 compound treatment 0.403 0.00784 0.29 0.399 0.00216 0.14 0.3023 0.9446 2062248 Enamine_003801 CCC(C)NC1=C(C(=O)Cc2ccccc2)C(=O)CC(C)(C)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M18 compound treatment 0.406 0.0108 0.4 0.404 0.00716 0.46 0.609 0.9972 2062249 Enamine_003802 Cc1cc(C)n2nc(Nc3ccccc3)c(C(=O)N)c2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M19 compound treatment 0.395 -1.56E-4 -0.01 0.401 0.00416 0.27 0.1861 0.6919 1379352 Enamine_003803 CN(Cc1ccccc1)C(=O)COC(=O)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M20 compound treatment 0.395 -1.56E-4 -0.01 0.393 -0.00384 -0.25 -0.1799 -0.7232 2062250 Enamine_003804 CC(=O)Nc1ccc(NC(=O)COC(=O)C2(CCCC2)c3ccc(Cl)cc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M21 compound treatment 0.399 0.00384 0.14 0.403 0.00616 0.4 0.3815 0.9027 2062251 Enamine_003805 CCc1ccc(NC(=O)C(C)OC(=O)c2cnc(Cl)c(Cl)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M22 compound treatment 0.399 0.00384 0.14 0.402 0.00516 0.33 0.3357 0.9267 2062252 Enamine_003806 CC1CCCN(C1)C(=O)CSc2nc3ccccc3nc2c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M23 mock treatment 0.396 8.44E-4 0.03 0.4 0.00316 0.2 0.1663 0.8052 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 M24 mock treatment 0.394 -0.00116 -0.04 0.397 1.56E-4 0.01 -0.0229 -0.5241 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N01 compound treatment 0.402 0.00684 0.25 0.395 -0.00184 -0.12 0.0933 0.3355 1344937 Enamine_003807 Clc1ccc2oc(SCC(=O)NC3CC3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N02 compound treatment 0.403 0.00784 0.29 0.402 0.00516 0.33 0.4396 0.9973 2062253 Enamine_003808 CC(C)Sc1nnc2sc3ccccc3n12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N03 compound treatment 0.398 0.00284 0.1 0.403 0.00616 0.4 0.3555 0.8633 2062254 Enamine_003809 CC1CCCCC1NC2=NCCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N04 compound treatment 0.39 -0.00516 -0.19 0.396 -8.44E-4 -0.05 -0.1725 -0.8753 1680712 Enamine_003810 OCCOC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N05 compound treatment 0.406 0.0108 0.4 0.399 0.00216 0.14 0.3802 0.9012 2062255 Enamine_003811 FC(F)(F)N(c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N06 compound treatment 0.402 0.00684 0.25 0.393 -0.00384 -0.25 0.0018 0.0052 2062256 Enamine_003812 O=C(N1CCN(CC1)c2ccccn2)c3ccc(Oc4ccccc4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N07 compound treatment 0.492 0.0968 3.56 0.484 0.0872 5.64 6.5028 0.9753 2062257 Enamine_003813 O=C(OC(C(=O)c1ccccc1)c2ccccc2)/C=C/c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N08 compound treatment 0.406 0.0108 0.4 0.398 0.00116 0.07 0.3345 0.8255 2062258 Enamine_003814 N(c1ccccc1)c2ccc(/N=C/c3ccc4ncccc4c3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N09 compound treatment 0.369 -0.0262 -0.96 0.363 -0.0338 -2.19 -2.2278 -0.9316 2062259 Enamine_003815 Fc1cccc(F)c1/C=N/c2ccc(cc2)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N10 compound treatment 0.401 0.00584 0.21 0.398 0.00116 0.07 0.2046 0.9005 2062260 Enamine_003816 CN(C)S(=O)(=O)c1cccc(c1)C(=O)NC(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N11 compound treatment 0.415 0.0198 0.73 0.417 0.0202 1.3 1.4376 0.9622 2062261 Enamine_003817 Fc1cc(Cl)ccc1NC(=O)COC(=O)Cc2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N12 compound treatment 0.399 0.00384 0.14 0.402 0.00516 0.33 0.3357 0.9267 1612751 Enamine_003818 CC1CN(CC(C)O1)C(=O)COC(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N13 compound treatment 0.406 0.0108 0.4 0.401 0.00416 0.27 0.4718 0.9817 2062262 Enamine_003819 OCCN(Cc1ccccc1)C(=O)/C=C/c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N14 compound treatment 0.398 0.00284 0.1 0.399 0.00216 0.14 0.1725 0.9898 2062263 Enamine_003820 Cc1ccc(cc1)[n+]2cc(Cl)on2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N15 compound treatment 0.4 0.00484 0.18 0.397 1.56E-4 0.01 0.1329 0.7461 2062264 Enamine_003821 CC(C)CC(=O)OCc1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N16 compound treatment 0.399 0.00384 0.14 0.395 -0.00184 -0.12 0.0154 0.0836 2062265 Enamine_003822 Clc1ccc(Cl)c(c1)S(=O)(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N17 compound treatment 0.416 0.0208 0.77 0.422 0.0252 1.63 1.6923 0.9408 2062266 Enamine_003823 Nc1c(C#N)c2nc3ccccc3nc2n1c4cccc(c4)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N18 compound treatment 0.455 0.0598 2.2 0.46 0.0632 4.09 4.4438 0.9577 1566849 Enamine_003824 Clc1cc(cnc1Cl)C(=O)OC(C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N19 compound treatment 0.401 0.00584 0.21 0.397 1.56E-4 0.01 0.1589 0.7396 1397128 Enamine_003825 Brc1ccc(o1)C(=O)Nc2ccccc2NC(=O)c3ccc(Br)o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N20 compound treatment 0.408 0.0128 0.47 0.401 0.00416 0.27 0.5237 0.9645 2062267 Enamine_003826 CCN(Cc1ccncc1)C(=O)c2ccc(I)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N21 compound treatment 0.398 0.00284 0.1 0.403 0.00616 0.4 0.3555 0.8633 1416476 Enamine_003827 CN(C1CCCCC1)C(=O)COC(=O)c2cc(C)oc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N22 compound treatment 0.395 -1.56E-4 -0.01 0.391 -0.00584 -0.38 -0.2715 -0.7178 2062268 Enamine_003828 CC1CCCN(C1)C(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N23 mock treatment 0.395 -1.56E-4 -0.01 0.399 0.00216 0.14 0.0946 0.6775 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 N24 mock treatment 0.393 -0.00216 -0.08 0.396 -8.44E-4 -0.05 -0.0946 -0.9835 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O01 compound treatment 0.388 -0.00716 -0.26 0.395 -0.00184 -0.12 -0.2702 -0.9362 2062269 Enamine_003829 O=C(COC(=O)/C=C/c1ccco1)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O02 compound treatment 0.392 -0.00316 -0.12 0.395 -0.00184 -0.12 -0.1663 -0.9999 2062270 Enamine_003830 Clc1ccc(cc1)C(=O)Nc2nc(cs2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O03 compound treatment 0.394 -0.00116 -0.04 0.395 -0.00184 -0.12 -0.1144 -0.9033 1427434 Enamine_003831 O=C(CSc1nnc[nH]1)Nc2ccccc2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O04 compound treatment 0.401 0.00584 0.21 0.402 0.00516 0.33 0.3877 0.9772 1277387 Enamine_003832 CCC1CCCCN1C(=O)CSc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O05 compound treatment 0.392 -0.00316 -0.12 0.399 0.00216 0.14 0.0167 0.0921 1428038 Enamine_003833 O=C(CSc1nc2ccccc2[nH]1)N3CCCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O06 compound treatment 0.398 0.00284 0.1 0.392 -0.00484 -0.31 -0.1478 -0.4474 2062271 Enamine_003834 C(Sc1cnc2ccccc2n1)c3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O07 compound treatment 0.397 0.00184 0.07 0.392 -0.00484 -0.31 -0.1738 -0.5419 2062272 Enamine_003835 Clc1cc(/N=C/c2ccccn2)c(Cl)cc1/N=C/c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O08 compound treatment 0.394 -0.00116 -0.04 0.399 0.00216 0.14 0.0686 0.4706 2062273 Enamine_003836 C(SCc1ccco1)c2cn3cccnc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O09 compound treatment 0.397 0.00184 0.07 0.399 0.00216 0.14 0.1465 0.9449 1629261 Enamine_003837 CN(C1CCCCC1)C(=O)COC(=O)c2ccc(Cl)c(N)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O10 compound treatment 0.412 0.0168 0.62 0.409 0.0122 0.79 0.9936 0.9929 1587630 Enamine_003838 Fc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O11 compound treatment 0.396 8.44E-4 0.03 0.394 -0.00284 -0.18 -0.1082 -0.5799 2062274 Enamine_003839 OC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O12 compound treatment 0.399 0.00384 0.14 0.392 -0.00484 -0.31 -0.1218 -0.3544 2062275 Enamine_003840 CCOCC(=O)OCc1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O13 compound treatment 0.401 0.00584 0.21 0.394 -0.00284 -0.18 0.0216 0.0765 1592449 Enamine_003841 O=C1C2C3CC(C=C3)C2C(=O)N1Cc4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O14 compound treatment 0.403 0.00784 0.29 0.396 -8.44E-4 -0.05 0.1651 0.563 2062276 Enamine_003842 Clc1ccc(/C=C/C(=O)NCc2cccnc2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O15 compound treatment 0.397 0.00184 0.07 0.399 0.00216 0.14 0.1465 0.9449 1211481 Enamine_003843 Clc1cc(Cl)c(cc1C(=O)N2CCCCC2)S(=O)(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O16 compound treatment 0.457 0.0618 2.27 0.461 0.0642 4.15 4.5415 0.9597 2062277 Enamine_003844 Cc1ccc(cc1)C(=O)OCC(=O)c2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O17 compound treatment 0.397 0.00184 0.07 0.394 -0.00284 -0.18 -0.0822 -0.4195 1460690 Enamine_003845 CCCCC(=O)C1=C(CC(C)(C)CC1=O)Nc2ccccc2OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O18 compound treatment 0.395 -1.56E-4 -0.01 0.396 -8.44E-4 -0.05 -0.0427 -0.7771 1278994 Enamine_003846 Cc1[nH]c2ccccc2c1C(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O19 compound treatment 0.405 0.00984 0.36 0.408 0.0112 0.72 0.7661 0.9489 2062278 Enamine_003847 Fc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O20 compound treatment 0.39 -0.00516 -0.19 0.388 -0.00884 -0.57 -0.5386 -0.8934 2062279 Enamine_003848 Clc1cccc(CSc2nnc3ccccn23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O21 compound treatment 0.393 -0.00216 -0.08 0.398 0.00116 0.07 -0.0031 -0.0283 2062280 Enamine_003849 CCc1ccc(NC(=O)C(C)OC(=O)c2ccncc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O22 compound treatment 0.385 -0.0102 -0.37 0.386 -0.0108 -0.7 -0.7599 -0.9563 2062281 Enamine_003850 c1coc(c1)c2cn3c(n2)sc4ccccc43 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O23 mock treatment 0.39 -0.00516 -0.19 0.398 0.00116 0.07 -0.081 -0.3978 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 O24 mock treatment 0.395 -1.56E-4 -0.01 0.392 -0.00484 -0.31 -0.2257 -0.7199 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P01 compound treatment 0.379 -0.0162 -0.59 0.381 -0.0158 -1.03 -1.1445 -0.9662 1690799 Enamine_003851 Cc1ccccc1OCCC(=O)Nc2ccc(F)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P02 compound treatment 0.398 0.00284 0.1 0.399 0.00216 0.14 0.1725 0.9898 1514001 Enamine_003852 CCN(C1CCCCC1)C(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P03 compound treatment 0.408 0.0128 0.47 0.405 0.00816 0.53 0.7067 0.9984 1166807 Enamine_003853 Cc1ccc(C)n1CCN2CCN(CC2)S(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P04 compound treatment 0.386 -0.00916 -0.34 0.387 -0.00984 -0.64 -0.6882 -0.9554 1586490 Enamine_003854 CCCc1cc(C(=O)Cc2ccccn2)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P05 compound treatment 0.412 0.0168 0.62 0.404 0.00716 0.46 0.7648 0.9898 2062282 Enamine_003855 OC(=O)c1ccccc1OCC(=O)Nc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P06 compound treatment 0.286 -0.109 -4.01 0.279 -0.118 -7.63 -8.2267 -0.9549 2062283 Enamine_003856 Oc1cccnc1NC(=O)c2ccc(Oc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P07 compound treatment 0.402 0.00684 0.25 0.403 0.00616 0.4 0.4594 0.9753 1565116 Enamine_003857 Cc1cc(C(=O)OC2CCOC2=O)c(C)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P08 compound treatment 0.394 -0.00116 -0.04 0.402 0.00516 0.33 0.2059 0.6122 1714132 Enamine_003858 Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P09 compound treatment 0.402 0.00684 0.25 0.41 0.0132 0.85 0.7797 0.8784 2062284 Enamine_003859 CN(C1CCCCC1)C(=O)CSc2nncc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P10 compound treatment 0.387 -0.00816 -0.3 0.394 -0.00284 -0.18 -0.3419 -0.9726 2062285 Enamine_003860 CC(C)(C)NC(=O)c1cccc(c1)S(=O)(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P11 compound treatment 0.398 0.00284 0.1 0.399 0.00216 0.14 0.1725 0.9898 2062286 Enamine_003861 NC(=O)C1CCN(CC1)C(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P12 compound treatment 0.389 -0.00616 -0.23 0.394 -0.00284 -0.18 -0.29 -0.9948 2062287 Enamine_003862 Cc1ccc(cc1)N(CC#N)C(=O)Cn2cc[n+](C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P13 compound treatment 0.393 -0.00216 -0.08 0.396 -8.44E-4 -0.05 -0.0946 -0.9835 2062288 Enamine_003863 Fc1ccc(cc1)C2(CCCC2)C(=O)Nc3cc(F)ccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P14 compound treatment 0.391 -0.00416 -0.15 0.394 -0.00284 -0.18 -0.238 -0.9957 2062289 Enamine_003864 NCc1nc2ccccc2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P15 compound treatment 0.401 0.00584 0.21 0.397 1.56E-4 0.01 0.1589 0.7396 1460024 Enamine_003865 CCC(CC)C(=O)OCc1ccc(C#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P16 compound treatment 0.387 -0.00816 -0.3 0.39 -0.00684 -0.44 -0.5249 -0.9819 2062290 Enamine_003866 Oc1c(c2nc3ccccc3s2)c(=O)[nH]c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P17 compound treatment 0.402 0.00684 0.25 0.408 0.0112 0.72 0.6882 0.9003 2062291 Enamine_003867 Nc1c(C#N)c2nc3ccccc3nc2n1c4ccc(cc4)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P18 compound treatment 0.406 0.0108 0.4 0.4 0.00316 0.2 0.426 0.9519 2062292 Enamine_003868 COc1ccccc1/C=C/C(=O)Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P19 compound treatment 0.407 0.0118 0.43 0.408 0.0112 0.72 0.818 0.9706 1167104 Enamine_003869 Cc1sc(NC(=O)c2cccs2)c(C(=O)N)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P20 compound treatment 0.399 0.00384 0.14 0.397 1.56E-4 0.01 0.107 0.7558 2062293 Enamine_003870 COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P21 compound treatment 0.401 0.00584 0.21 0.401 0.00416 0.27 0.3419 0.9937 1234360 Enamine_003871 Clc1cnc(NC(=O)COC(=O)Cc2ccccc2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P22 compound treatment 0.401 0.00584 0.21 0.393 -0.00384 -0.25 -0.0241 -0.0735 2062294 Enamine_003872 CC(C)(C)C(=O)Nc1nc(cs1)c2ccc(Cl)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P23 mock treatment 0.401 0.00584 0.21 0.397 1.56E-4 0.01 0.1589 0.7396 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1404 P24 mock treatment 0.381 -0.0142 -0.52 0.385 -0.0118 -0.77 -0.9095 -0.9821 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A01 compound treatment 0.376 -0.0148 -0.54 0.352 -0.0199 -1.29 -1.2969 -0.9263 2062295 Enamine_003873 Fc1ccc(cc1)c2cc(C(=O)NCCCN3CCCC3=O)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A02 compound treatment 0.401 0.0102 0.37 0.371 -9.37E-4 -0.06 0.2216 0.5848 2062296 Enamine_003874 Cc1sc2ncn(n3cccc3)c(=O)c2c1c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A03 compound treatment 0.388 -0.00281 -0.1 0.354 -0.0179 -1.16 -0.8938 -0.767 2062297 Enamine_003875 COc1cccc(CC(=O)OCC(=O)c2cccc(Cl)c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A04 compound treatment 0.391 1.88E-4 0.01 0.357 -0.0149 -0.97 -0.6786 -0.7021 1476366 Enamine_003876 CC1CC1C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A05 compound treatment 0.39 -8.12E-4 -0.03 0.363 -0.00894 -0.58 -0.4301 -0.7426 2062298 Enamine_003877 Fc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c4ccccc43)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A06 compound treatment 0.397 0.00619 0.23 0.357 -0.0149 -0.97 -0.5228 -0.5265 2062299 Enamine_003878 CC(C)N(C(=O)CSCc1ccc(Cl)cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A07 compound treatment 0.423 0.0322 1.18 0.414 0.0421 2.72 2.7605 0.9302 1150704 Enamine_003879 Cc1cc(NC(=O)c2ccccc2C)n(n1)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A08 compound treatment 0.392 0.00119 0.04 0.359 -0.0129 -0.84 -0.5612 -0.6694 2062300 Enamine_003880 Cc1ccc(cc1)C(=O)COC(=O)c2nc(Cl)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A09 compound treatment 0.415 0.0242 0.89 0.376 0.00406 0.26 0.814 0.8787 2062301 Enamine_003881 CSCCC(N)c1nc2ccccc2n1Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A10 compound treatment 0.402 0.0112 0.41 0.367 -0.00494 -0.32 0.0646 0.1241 2062302 Enamine_003882 CN(C)CCNC(=O)c1cn(nc1c2cccnc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A11 compound treatment 0.405 0.0142 0.52 0.37 -0.00194 -0.13 0.2797 0.522 2062303 Enamine_003883 COc1ccc(NC(=Nc2ccc(OC)cc2)SC)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A12 compound treatment 0.408 0.0172 0.63 0.38 0.00806 0.52 0.8152 0.9955 1483949 Enamine_003884 CC(C)N(C(=O)Cn1c(nc2ccccc12)C(C)C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A13 compound treatment 0.404 0.0132 0.48 0.359 -0.0129 -0.84 -0.2496 -0.258 2062304 Enamine_003885 CN(CC(=O)N1CCc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A14 compound treatment 0.398 0.00719 0.26 0.361 -0.0109 -0.71 -0.3138 -0.4155 2062305 Enamine_003886 Cc1ccc(CNC(=O)CC2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A15 compound treatment 0.416 0.0252 0.92 0.372 6.25E-5 0.0 0.6569 0.7102 2062306 Enamine_003887 N#Cc1ccc(CSc2cccc3cccnc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A16 compound treatment 0.4 0.00919 0.34 0.356 -0.0159 -1.03 -0.4907 -0.4522 2062307 Enamine_003888 CCC1CCCCN1C(=O)CSCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A17 compound treatment 0.384 -0.00681 -0.25 0.36 -0.0119 -0.77 -0.7231 -0.8906 2062308 Enamine_003889 Fc1ccc(C(=O)N2CCN(CC2)C(=O)c3ccc(F)cc3F)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A18 compound treatment 0.39 -8.12E-4 -0.03 0.361 -0.0109 -0.71 -0.5216 -0.7363 2062309 Enamine_003890 CCN(C1CCCCC1)C(=O)CSC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A19 compound treatment 0.388 -0.00281 -0.1 0.377 0.00506 0.33 0.1586 0.4618 2062310 Enamine_003891 Cc1nn(c(C)c1Sc2ccccc2N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A20 compound treatment 0.378 -0.0128 -0.47 0.357 -0.0149 -0.97 -1.0162 -0.9453 2062311 Enamine_003892 CCC(=O)c1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A21 compound treatment 0.332 -0.0588 -2.16 0.312 -0.0599 -3.88 -4.2698 -0.9618 2062312 Enamine_003893 OC(=O)c1nc2cccc3cccc([nH]1)c32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A22 compound treatment 0.393 0.00219 0.08 0.358 -0.0139 -0.9 -0.581 -0.6416 1183748 Enamine_003894 Cc1ccc(OCC(=O)Nc2nc3ccccc3s2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A23 mock treatment 0.378 -0.0128 -0.47 0.357 -0.0149 -0.97 -1.0162 -0.9453 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 A24 mock treatment 0.375 -0.0158 -0.58 0.352 -0.0199 -1.29 -1.3229 -0.935 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B01 compound treatment 0.409 0.0182 0.67 0.387 0.0151 0.97 1.1615 0.983 2062313 Enamine_003895 Cc1ccccc1c2nnn(CC(=O)NC3CCCCC3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B02 compound treatment 0.403 0.0122 0.45 0.374 0.00206 0.13 0.4108 0.8797 2062314 Enamine_003896 Cn1c(nc2ccccc12)C(C#N)C(=O)c3cncc(Br)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B03 compound treatment 0.406 0.0152 0.56 0.392 0.0201 1.3 1.3124 0.9288 2062315 Enamine_003897 O=C(OC1CCCC1)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B04 compound treatment 0.402 0.0112 0.41 0.376 0.00406 0.26 0.4764 0.9767 2062316 Enamine_003898 Fc1cccc(NCC(=O)N2CCc3ccccc3C2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B05 compound treatment 0.413 0.0222 0.81 0.398 0.0261 1.69 1.7687 0.9443 2062317 Enamine_003899 Cc1ccccc1C(=O)Nc2nnc([nH]2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B06 compound treatment 0.426 0.0352 1.29 0.407 0.0351 2.27 2.5181 0.9644 2062318 Enamine_003900 O=C(CSC1CCCC1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B07 compound treatment 0.403 0.0122 0.45 0.384 0.0121 0.78 0.8684 0.9651 2062319 Enamine_003901 Fc1cc(Cl)c(cc1F)C(=O)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B08 compound treatment 0.417 0.0262 0.96 0.391 0.0191 1.23 1.5523 0.9924 2062320 Enamine_003902 [O-][n+]1ccccc1SCC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B09 compound treatment 0.441 0.0502 1.84 0.461 0.0891 5.76 5.3785 0.8889 2062321 Enamine_003903 COc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B10 compound treatment 0.416 0.0252 0.92 0.385 0.0131 0.85 1.2517 0.999 2062322 Enamine_003904 [O-][n+]1ccccc1SC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B11 compound treatment 0.511 0.12 4.41 0.405 0.0331 2.14 4.6337 0.9447 2062323 Enamine_003905 CCOC(=O)c1c(NC(=O)C=C)sc2CCCCc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B12 compound treatment 0.427 0.0362 1.33 0.38 0.00806 0.52 1.3086 0.9166 2062324 Enamine_003906 O=C(Nc1ccccc1)C2(CCCCC2)N(Cc3ccco3)C(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B13 compound treatment 0.42 0.0292 1.07 0.404 0.0321 2.07 2.225 0.9528 2062325 Enamine_003907 CCN(C(=O)CSC1=NCCS1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B14 compound treatment 0.469 0.0782 2.87 0.429 0.0571 3.69 4.6413 0.9923 2062326 Enamine_003908 CC(C)C(NC(=O)c1ccccc1)C(=O)Nc2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B15 compound treatment 0.369 -0.0218 -0.8 0.35 -0.0219 -1.42 -1.5702 -0.9633 1377119 Enamine_003909 CN(C)S(=O)(=O)c1ccc(cc1)c2cn3cc(C)ccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B16 compound treatment 0.421 0.0302 1.11 0.399 0.0271 1.75 2.0222 0.9757 2062327 Enamine_003910 Fc1ccc(cc1)/C(=C\c2ccc(Cl)cc2)/C(=O)NCc3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B17 compound treatment 0.408 0.0172 0.63 0.386 0.0141 0.91 1.0898 0.984 2062328 Enamine_003911 CCN(CC)c1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B18 compound treatment 0.405 0.0142 0.52 0.374 0.00206 0.13 0.4628 0.8605 2062329 Enamine_003912 COc1ccc(cc1)C(O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B19 compound treatment 0.406 0.0152 0.56 0.376 0.00406 0.26 0.5803 0.9411 2062330 Enamine_003913 BrC1(CC2CC3C1)CC(CC(=O)NC4CCCC4)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B20 compound treatment 0.4 0.00919 0.34 0.374 0.00206 0.13 0.3329 0.9176 2062331 Enamine_003914 Fc1ccc(CCNC(=O)Cc2cn3ccsc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B21 compound treatment 0.391 1.88E-4 0.01 0.373 0.00106 0.07 0.0535 0.774 2062332 Enamine_003915 [O-][n+]1ccccc1SCC(=O)Nc2cccc(Oc3ccccc3)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B22 compound treatment 0.394 0.00319 0.12 0.362 -0.00994 -0.64 -0.372 -0.569 2062333 Enamine_003916 Cc1ccsc1C(=O)OCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B23 mock treatment 0.4 0.00919 0.34 0.37 -0.00194 -0.13 0.1499 0.4165 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 B24 mock treatment 0.386 -0.00481 -0.18 0.369 -0.00294 -0.19 -0.2594 -0.9993 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C01 compound treatment 0.393 0.00219 0.08 0.364 -0.00794 -0.51 -0.3064 -0.5894 2062334 Enamine_003917 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NCCCn4ccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C02 compound treatment 0.381 -0.00981 -0.36 0.361 -0.0109 -0.71 -0.7553 -0.951 2062335 Enamine_003918 CCOC(=O)C1CCCN(C1)C(=O)CSc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C03 compound treatment 0.383 -0.00781 -0.29 0.356 -0.0159 -1.03 -0.9321 -0.8707 2062336 Enamine_003919 CCN(C1CCCCC1)C(=O)CSc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C04 compound treatment 0.371 -0.0198 -0.73 0.351 -0.0209 -1.35 -1.4725 -0.9575 2062337 Enamine_003920 CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C05 compound treatment 0.392 0.00119 0.04 0.372 6.25E-5 0.0 0.0337 0.7694 2062338 Enamine_003921 Brc1cccc(NC(=O)COc2ccc3c4CCCCc4c(=O)oc3c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C06 compound treatment 0.388 -0.00281 -0.1 0.358 -0.0139 -0.9 -0.7108 -0.783 2062339 Enamine_003922 Cn1cnnc1SCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C07 compound treatment 0.384 -0.00681 -0.25 0.36 -0.0119 -0.77 -0.7231 -0.8906 2062340 Enamine_003923 CCn1c(nc2ccccc12)n3nc(C)cc3N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C08 compound treatment 0.418 0.0272 1.0 0.388 0.0161 1.04 1.441 0.9998 2062341 Enamine_003924 O=C(CNc1cccc(Oc2ccccc2)c1)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C09 compound treatment 0.377 -0.0138 -0.51 0.362 -0.00994 -0.64 -0.8134 -0.9931 1438779 Enamine_003925 O=C(CSc1nc2ccccc2[nH]1)NC3CCCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C10 compound treatment 0.388 -0.00281 -0.1 0.364 -0.00794 -0.51 -0.4362 -0.8326 2062342 Enamine_003926 CN1CCN(CC1)C(=O)c2cn(nc2c3cccnc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C11 compound treatment 0.419 0.0282 1.04 0.398 0.0261 1.69 1.9245 0.9725 1690718 Enamine_003927 COC(=O)c1ccc(NC(=O)C(c2ccccc2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C12 compound treatment 0.391 1.88E-4 0.01 0.362 -0.00994 -0.64 -0.4499 -0.6995 2062343 Enamine_003928 O=C(Cn1c(COc2ccccc2)nc3ccccc13)NCC4CCCO4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C13 compound treatment 0.418 0.0272 1.0 0.382 0.0101 0.65 1.1664 0.9786 2062344 Enamine_003929 Clc1ccccc1COC(=O)c2ccc(NC(=O)CC#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C14 compound treatment 0.457 0.0662 2.43 0.411 0.0391 2.53 3.5061 0.9998 2062345 Enamine_003930 Clc1ccc(SCC(=O)NC2CCCc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C15 compound treatment 0.404 0.0132 0.48 0.359 -0.0129 -0.84 -0.2496 -0.258 2062346 Enamine_003931 CC(C)NC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C16 compound treatment 0.391 1.88E-4 0.01 0.369 -0.00294 -0.19 -0.1295 -0.681 2062347 Enamine_003932 Brc1ccccc1NC(=O)CSC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C17 compound treatment 0.392 0.00119 0.04 0.365 -0.00694 -0.45 -0.2866 -0.6354 2062348 Enamine_003933 OCCN(Cc1ccccc1)C(=O)c2cc3CCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C18 compound treatment 0.39 -8.12E-4 -0.03 0.367 -0.00494 -0.32 -0.247 -0.7698 2062349 Enamine_003934 CC1(C)CC(CC(C)(C)N1)NC(=O)COc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C19 compound treatment 0.383 -0.00781 -0.29 0.354 -0.0179 -1.16 -1.0236 -0.8561 2062350 Enamine_003935 Cc1nn(C)c(C)c1Sc2ccccc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C20 compound treatment 0.392 0.00119 0.04 0.362 -0.00994 -0.64 -0.4239 -0.6576 2062351 Enamine_003936 Cc1ccc(cc1)C(=O)SC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C21 compound treatment 0.388 -0.00281 -0.1 0.353 -0.0189 -1.23 -0.9396 -0.764 2062352 Enamine_003937 Clc1nc2sccn2c1SC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C22 compound treatment 0.382 -0.00881 -0.32 0.352 -0.0199 -1.29 -1.1411 -0.8579 1787987 Enamine_003938 NC(=O)C1CCN(CC1)C(=O)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C23 mock treatment 0.374 -0.0168 -0.62 0.359 -0.0129 -0.84 -1.0286 -0.9888 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 C24 mock treatment 0.385 -0.00581 -0.21 0.357 -0.0149 -0.97 -0.8344 -0.8429 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D01 compound treatment 0.407 0.0162 0.59 0.387 0.0151 0.97 1.1096 0.9719 2062353 Enamine_003939 COc1ccccc1CNC(=O)/C=C/c2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D02 compound treatment 0.399 0.00819 0.3 0.364 -0.00794 -0.51 -0.1506 -0.253 2062354 Enamine_003940 Cn1c(nc2ccccc12)C(C#N)C(=O)c3ccc(cc3)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D03 compound treatment 0.406 0.0152 0.56 0.367 -0.00494 -0.32 0.1684 0.2621 2062355 Enamine_003941 CN1CCCC(C1)OC(=O)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D04 compound treatment 0.405 0.0142 0.52 0.38 0.00806 0.52 0.7373 1.0 2062356 Enamine_003942 CN(C1CCCCC1)C(=O)CSc2cccc[n+]2[O-] 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D05 compound treatment 0.405 0.0142 0.52 0.373 0.00106 0.07 0.417 0.7935 2062357 Enamine_003943 FC(F)(F)c1nnc(NC(=O)c2ccco2)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D06 compound treatment 0.399 0.00819 0.3 0.371 -9.37E-4 -0.06 0.1697 0.5533 2062358 Enamine_003944 CCC(C)SCC(=O)N1CCC(C)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D07 compound treatment 0.4 0.00919 0.34 0.388 0.0161 1.04 0.9736 0.8909 2062359 Enamine_003945 Fc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D08 compound treatment 0.402 0.0112 0.41 0.382 0.0101 0.65 0.7509 0.9753 2062360 Enamine_003946 NC(=O)c1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D09 compound treatment 0.394 0.00319 0.12 0.376 0.00406 0.26 0.2687 0.9336 2062361 Enamine_003947 O=C(CSC1=NCCN1)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D10 compound treatment 0.39 -8.12E-4 -0.03 0.366 -0.00594 -0.38 -0.2928 -0.7597 2062362 Enamine_003948 NC(=O)c1ccccc1NC(=O)CC2(CC3CC4CC(Br)(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D11 compound treatment 0.403 0.0122 0.45 0.389 0.0171 1.1 1.0972 0.9209 2062363 Enamine_003949 O=C(CSCc1ccco1)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D12 compound treatment 0.403 0.0122 0.45 0.386 0.0141 0.91 0.9599 0.9466 2062364 Enamine_003950 CC(C)(N(Cc1ccccc1)C(=O)c2ccccc2)C(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D13 compound treatment 0.435 0.0442 1.62 0.415 0.0431 2.79 3.1178 0.9669 2062365 Enamine_003951 CCCN1C(=O)/C(=C/c2ccc(F)cc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D14 compound treatment 0.404 0.0132 0.48 0.374 0.00206 0.13 0.4368 0.8696 2062366 Enamine_003952 CC(C)C(NC(=O)c1ccccc1)C(=O)N2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D15 compound treatment 0.457 0.0662 2.43 0.421 0.0491 3.17 3.9637 0.9913 2062367 Enamine_003953 CCCN1C(=O)/C(=C/c2ccc(cc2)C(C)C)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D16 compound treatment 0.405 0.0142 0.52 0.385 0.0131 0.85 0.9661 0.973 2062368 Enamine_003954 CN(C1CCCCC1)C(=O)CSC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D17 compound treatment 0.393 0.00219 0.08 0.376 0.00406 0.26 0.2427 0.8829 2062369 Enamine_003955 [O-][n+]1ccccc1SCC(=O)c2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D18 compound treatment 0.432 0.0412 1.51 0.407 0.0351 2.27 2.6739 0.9806 2062370 Enamine_003956 CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D19 compound treatment 0.4 0.00919 0.34 0.381 0.00906 0.59 0.6532 0.9655 2062371 Enamine_003957 [O-][n+]1ccccc1SCC(=O)Nc2ccc(F)c(F)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D20 compound treatment 0.392 0.00119 0.04 0.369 -0.00294 -0.19 -0.1036 -0.5311 2062372 Enamine_003958 CN1CCCN(CC1)C(=O)c2ccccc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D21 compound treatment 0.398 0.00719 0.26 0.365 -0.00694 -0.45 -0.1308 -0.2512 2062373 Enamine_003959 [O-][n+]1ccccc1SCC(=O)NC2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D22 compound treatment 0.392 0.00119 0.04 0.368 -0.00394 -0.25 -0.1493 -0.5777 2062374 Enamine_003960 O=C(OCc1cccs1)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D23 mock treatment 0.393 0.00219 0.08 0.369 -0.00294 -0.19 -0.0776 -0.3761 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 D24 mock treatment 0.39 -8.12E-4 -0.03 0.366 -0.00594 -0.38 -0.2928 -0.7597 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E01 compound treatment 0.411 0.0202 0.74 0.375 0.00306 0.2 0.6643 0.8657 1447778 Enamine_003961 Cc1ccc(cc1)C(=O)COC(=O)CC2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E02 compound treatment 0.406 0.0152 0.56 0.379 0.00706 0.46 0.7175 0.9951 2062375 Enamine_003962 CC(C)C(=O)Nc1nc(cs1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E03 compound treatment 0.401 0.0102 0.37 0.378 0.00606 0.39 0.5419 0.9997 2062376 Enamine_003963 CN(CC(=O)N1CCc2ccccc2C1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E04 compound treatment 0.401 0.0102 0.37 0.368 -0.00394 -0.25 0.0844 0.1864 2062377 Enamine_003964 O=C(COc1ccc2ccc(=O)oc2c1)NC3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E05 compound treatment 0.422 0.0312 1.15 0.404 0.0321 2.07 2.2769 0.9608 2062378 Enamine_003965 O=C(CCc1ccccc1)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E06 compound treatment 0.403 0.0122 0.45 0.381 0.00906 0.59 0.7311 0.9911 1158332 Enamine_003966 CCN(C1CCCCC1)C(=O)CSC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E07 compound treatment 0.412 0.0212 0.78 0.404 0.0321 2.07 2.0173 0.9104 1415794 Enamine_003967 COC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E08 compound treatment 0.41 0.0192 0.7 0.402 0.0301 1.95 1.8738 0.9056 1422707 Enamine_003968 Cc1cc(C)cc(NC(=O)C(OC(=O)C2CCC(=O)N2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E09 compound treatment 0.402 0.0112 0.41 0.392 0.0201 1.3 1.2085 0.8875 1195592 Enamine_003969 O=C(CSc1nc2ccccc2o1)NC3CCCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E10 compound treatment 0.408 0.0172 0.63 0.378 0.00606 0.39 0.7237 0.9738 2062379 Enamine_003970 CCOC(=O)c1c(C)[nH]c(c1C)c2csc(C)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E11 compound treatment 0.414 0.0232 0.85 0.389 0.0171 1.1 1.3828 0.9918 1240985 Enamine_003971 CCOC(=O)c1ccc(NC(=O)CCOc2cccc(C)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E12 compound treatment 0.406 0.0152 0.56 0.387 0.0151 0.97 1.0836 0.9649 2062380 Enamine_003972 CC(NC(=O)CSc1ccccc1Cl)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E13 compound treatment 0.432 0.0412 1.51 0.416 0.0441 2.85 3.0857 0.956 2062381 Enamine_003973 COC(=O)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E14 compound treatment 0.406 0.0152 0.56 0.377 0.00506 0.33 0.626 0.9678 1743298 Enamine_003974 CCC1CCCCN1C(=O)CSc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E15 compound treatment 0.398 0.00719 0.26 0.389 0.0171 1.1 0.9674 0.8521 2062382 Enamine_003975 CN(Cc1ccccc1)C(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E16 compound treatment 0.406 0.0152 0.56 0.386 0.0141 0.91 1.0378 0.9724 2062383 Enamine_003976 OC(=O)CSCC(=O)NC1CCCc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E17 compound treatment 0.414 0.0232 0.85 0.388 0.0161 1.04 1.3371 0.9951 2062384 Enamine_003977 CCCN(CC1CC1)C(=O)c2cc(ccc2Cl)S(=O)(=O)N(CC)CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E18 compound treatment 0.41 0.0192 0.7 0.387 0.0151 0.97 1.1875 0.9873 2062385 Enamine_003978 Cc1nn(c2ccccc2)c3nc4CC(C)(C)CC(=O)c4cc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E19 compound treatment 0.402 0.0112 0.41 0.373 0.00106 0.07 0.3391 0.8141 2062386 Enamine_003979 Cc1nn(c(N)c1C2=CCCCC2)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E20 compound treatment 0.447 0.0562 2.06 0.39 0.0181 1.17 2.2855 0.9638 2062387 Enamine_003980 Nc1oc(cc1C(=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E21 compound treatment 0.403 0.0122 0.45 0.37 -0.00194 -0.13 0.2278 0.4901 2062388 Enamine_003981 CCOC(=O)c1ccc2n(/C=C\NC(=O)c3ccc(Cl)cc3)cnc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E22 compound treatment 0.395 0.00419 0.15 0.37 -0.00194 -0.13 0.0201 0.1012 2062389 Enamine_003982 [O-][n+]1ccccc1SCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E23 mock treatment 0.393 0.00219 0.08 0.367 -0.00494 -0.32 -0.1691 -0.5134 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 E24 mock treatment 0.39 -8.12E-4 -0.03 0.377 0.00506 0.33 0.2106 0.6401 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F01 compound treatment 0.412 0.0212 0.78 0.389 0.0171 1.1 1.3309 0.9853 2062390 Enamine_003983 CCC(C)(C)NC(=O)c1ccc(cc1)S(=O)(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F02 compound treatment 0.414 0.0232 0.85 0.384 0.0121 0.78 1.1541 0.9991 2062391 Enamine_003984 Cc1ccc(cc1N)C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F03 compound treatment 0.423 0.0322 1.18 0.388 0.0161 1.04 1.5708 0.9979 2062392 Enamine_003985 CC(C)(C)C1CCC(CC1)OC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F04 compound treatment 0.408 0.0172 0.63 0.377 0.00506 0.33 0.6779 0.9534 2062393 Enamine_003986 CN(C1CCCCC1)C(=O)CSc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F05 compound treatment 0.411 0.0202 0.74 0.391 0.0191 1.23 1.3965 0.9703 1518992 Enamine_003987 CC(=O)Nc1cc(C)nn1c2nc3ccccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F06 compound treatment 0.423 0.0322 1.18 0.395 0.0231 1.49 1.8911 0.9933 2062394 Enamine_003988 Cc1ccc2[nH]c(SCC(=O)c3ccc(Cl)s3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F07 compound treatment 0.403 0.0122 0.45 0.386 0.0141 0.91 0.9599 0.9466 2062395 Enamine_003989 FC(F)(F)c1cc(NC(=O)C(OC(=O)C2CCC(=O)N2)c3ccccc3)ccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F08 compound treatment 0.412 0.0212 0.78 0.39 0.0181 1.17 1.3767 0.9804 2062396 Enamine_003990 [O-][n+]1ccccc1SCC(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F09 compound treatment 0.418 0.0272 1.0 0.381 0.00906 0.59 1.1206 0.9678 2062397 Enamine_003991 CN(C)CCNC(=O)c1cc(nc2ccccc12)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F10 compound treatment 0.458 0.0672 2.47 0.428 0.0561 3.63 4.3099 0.9823 2062398 Enamine_003992 Clc1cc(Cl)cc(NC(=O)C(Sc2ncccn2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F11 compound treatment 0.428 0.0372 1.37 0.397 0.0251 1.62 2.1124 0.9963 2062399 Enamine_003993 Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F12 compound treatment 0.407 0.0162 0.59 0.384 0.0121 0.78 0.9723 0.991 2062400 Enamine_003994 CCOC(=O)c1[nH]c(CBr)c(C(=O)OCC)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F13 compound treatment 0.394 0.00319 0.12 0.388 0.0161 1.04 0.8178 0.7818 1353590 Enamine_003995 COc1ccc(cc1)C2C=C(Nc3ncnn23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F14 compound treatment 0.413 0.0222 0.81 0.395 0.0231 1.49 1.6314 0.9595 2062401 Enamine_003996 CC(C)C(NC(=O)c1ccccc1)C(=O)Nc2nc(C)cs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F15 compound treatment 0.43 0.0392 1.44 0.405 0.0331 2.14 2.5304 0.9814 1216177 Enamine_003997 Fc1ccc(COc2ccc3cc(c4ccccn4)c(=O)oc3c2)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F16 compound treatment 0.415 0.0242 0.89 0.389 0.0171 1.1 1.4088 0.9942 2062402 Enamine_003998 BrC1(CC2CC3C1)CC(CC(=O)Nc4nncs4)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F17 compound treatment 0.417 0.0262 0.96 0.405 0.0331 2.14 2.1929 0.9348 2062403 Enamine_003999 CC(Sc1cccc[n+]1[O-])C(=O)Nc2cc(ccc2Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F18 compound treatment 0.417 0.0262 0.96 0.384 0.0121 0.78 1.232 0.9946 2062404 Enamine_004000 O=C(CSC1CCCCC1)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F19 compound treatment 0.407 0.0162 0.59 0.386 0.0141 0.91 1.0638 0.9787 2062405 Enamine_004001 COc1ccc(CNC(=O)CSc2cccc[n+]2[O-])cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F20 compound treatment 0.415 0.0242 0.89 0.382 0.0101 0.65 1.0885 0.9883 2062406 Enamine_004002 Clc1ncccc1C(=O)OCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F21 compound treatment 0.403 0.0122 0.45 0.378 0.00606 0.39 0.5939 0.9978 2062407 Enamine_004003 [O-][n+]1ccccc1SCC(=O)Nc2ccccc2C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F22 compound treatment 0.404 0.0132 0.48 0.377 0.00506 0.33 0.5741 0.9819 2062408 Enamine_004004 FC(F)(F)c1ccccc1C(=O)OCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F23 mock treatment 0.394 0.00319 0.12 0.38 0.00806 0.52 0.4517 0.8447 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 F24 mock treatment 0.401 0.0102 0.37 0.373 0.00106 0.07 0.3132 0.8233 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G01 compound treatment 0.384 -0.00681 -0.25 0.371 -9.37E-4 -0.06 -0.2198 -0.8538 1211541 Enamine_004005 Cc1ccc(C)c(NC(=O)COC(=O)CC2CC3CCC2C3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G02 compound treatment 0.414 0.0232 0.85 0.371 -9.37E-4 -0.06 0.5592 0.6551 2062409 Enamine_004006 COc1ccc(CC(=O)OCCOc2ccccc2F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G03 compound treatment 0.395 0.00419 0.15 0.376 0.00406 0.26 0.2946 0.9674 2062410 Enamine_004007 O=C(CNc1ccccc1c2ccccc2)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G04 compound treatment 0.432 0.0412 1.51 0.411 0.0391 2.53 2.8569 0.9698 2062411 Enamine_004008 Cc1sc2nc[nH]c(=S)c2c1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G05 compound treatment 0.401 0.0102 0.37 0.374 0.00206 0.13 0.3589 0.9036 1601732 Enamine_004009 CC1CCCC(C)N1C(=O)COC(=O)c2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G06 compound treatment 0.403 0.0122 0.45 0.374 0.00206 0.13 0.4108 0.8797 2062412 Enamine_004010 Fc1ccc(cc1F)S(=O)(=O)Nc2ccccc2C(=O)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G07 compound treatment 0.41 0.0192 0.7 0.389 0.0171 1.1 1.279 0.9765 1167345 Enamine_004011 CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G08 compound treatment 0.403 0.0122 0.45 0.396 0.0241 1.56 1.4175 0.8749 1405344 Enamine_004012 O=C(CSc1nc2ccccc2o1)NCCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G09 compound treatment 0.459 0.0682 2.5 0.424 0.0521 3.37 4.1529 0.9893 2062413 Enamine_004013 CN(C)c1ccc(NC(=O)COC(=O)c2cc(Br)ccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G10 compound treatment 0.428 0.0372 1.37 0.406 0.0341 2.2 2.5243 0.9735 2062414 Enamine_004014 Clc1ccc(/C=C\2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G11 compound treatment 0.403 0.0122 0.45 0.381 0.00906 0.59 0.7311 0.9911 1664731 Enamine_004015 O=C(CSc1nc2ccccc2n1c3ccccc3)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G12 compound treatment 0.433 0.0422 1.55 0.41 0.0381 2.46 2.8371 0.975 2062415 Enamine_004016 Cn1c(nc2ccccc12)C(C#N)C(=O)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G13 compound treatment 0.398 0.00719 0.26 0.384 0.0121 0.78 0.7386 0.8963 2062416 Enamine_004017 CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)Oc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G14 compound treatment 0.43 0.0392 1.44 0.414 0.0421 2.72 2.9423 0.9556 2062417 Enamine_004018 Clc1ccc2sc(SCC(=O)Nc3ccccc3Cl)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G15 compound treatment 0.399 0.00819 0.3 0.387 0.0151 0.97 0.9018 0.8841 2062418 Enamine_004019 Cc1cc(NC(=O)c2ccc(Cl)cc2)n(n1)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G16 compound treatment 0.405 0.0142 0.52 0.383 0.0111 0.72 0.8746 0.9878 2062419 Enamine_004020 O=C(OCCN1CCCC1=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G17 compound treatment 0.472 0.0812 2.98 0.425 0.0531 3.43 4.5362 0.9975 2062420 Enamine_004021 Clc1ncccc1NC(=O)COc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G18 compound treatment 0.402 0.0112 0.41 0.391 0.0191 1.23 1.1628 0.8943 2062421 Enamine_004022 Fc1ccccc1COC(=O)COc2ccccc2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G19 compound treatment 0.393 0.00219 0.08 0.374 0.00206 0.13 0.1512 0.9705 2062422 Enamine_004023 Cc1n[nH]c(N)c1C2(O)C(=O)Nc3c2cc(Cl)cc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G20 compound treatment 0.406 0.0152 0.56 0.372 6.25E-5 0.0 0.3972 0.7122 2062423 Enamine_004024 Cc1cc(C(=O)N)c(C)n1c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G21 compound treatment 0.397 0.00619 0.23 0.371 -9.37E-4 -0.06 0.1178 0.5008 1103096 Enamine_004025 OCc1c(Cl)nc2sccn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G22 compound treatment 0.395 0.00419 0.15 0.37 -0.00194 -0.13 0.0201 0.1012 1255149 Enamine_004026 O=C(Nc1ccc(cc1)N2CCCCC2)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G23 mock treatment 0.392 0.00119 0.04 0.371 -9.37E-4 -0.06 -0.0121 -0.1615 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 G24 mock treatment 0.392 0.00119 0.04 0.373 0.00106 0.07 0.0795 0.9759 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H01 compound treatment 0.427 0.0362 1.33 0.415 0.0431 2.79 2.9101 0.9426 1422900 Enamine_004027 CN(C)c1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H02 compound treatment 0.421 0.0302 1.11 0.401 0.0291 1.88 2.1137 0.9682 2062424 Enamine_004028 Fc1cccc(F)c1NC(=O)CCC(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H03 compound treatment 0.396 0.00519 0.19 0.389 0.0171 1.1 0.9154 0.817 2062425 Enamine_004029 CN1CCCC(C1)OC(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H04 compound treatment 0.395 0.00419 0.15 0.376 0.00406 0.26 0.2946 0.9674 2062426 Enamine_004030 Clc1ccccc1SCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H05 compound treatment 0.401 0.0102 0.37 0.384 0.0121 0.78 0.8165 0.9433 2062427 Enamine_004031 O=C(NCc1nc2ccccc2n1Cc3ccccc3)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H06 compound treatment 0.392 0.00119 0.04 0.371 -9.37E-4 -0.06 -0.0121 -0.1615 2062428 Enamine_004032 Cc1ccc(C)c(NC(=O)C(Sc2cccc[n+]2[O-])c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H07 compound treatment 0.466 0.0752 2.76 0.437 0.0651 4.21 4.9295 0.9791 2062429 Enamine_004033 CCOC(=O)c1ccc(NCC(=O)N2CCc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H08 compound treatment 0.397 0.00619 0.23 0.376 0.00406 0.26 0.3466 0.9974 2062430 Enamine_004034 [O-][n+]1ccccc1SCC(=O)c2ccc(Cl)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H09 compound treatment 0.398 0.00719 0.26 0.376 0.00406 0.26 0.3725 1.0 2062431 Enamine_004035 CN1CCCN(CC1)C(=O)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H10 compound treatment 0.403 0.0122 0.45 0.371 -9.37E-4 -0.06 0.2736 0.6057 2062432 Enamine_004036 Cc1n[nH]c(C)c1Sc2ccccc2NC(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H11 compound treatment 0.391 1.88E-4 0.01 0.39 0.0181 1.17 0.8314 0.7113 2062433 Enamine_004037 Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H12 compound treatment 0.399 0.00819 0.3 0.374 0.00206 0.13 0.307 0.9332 1189737 Enamine_004038 CC(=O)NC(CC(=O)O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H13 compound treatment 0.398 0.00719 0.26 0.38 0.00806 0.52 0.5556 0.9502 2062434 Enamine_004039 CC(=O)OCCCc1nc2ccccc2n1C(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H14 compound treatment 0.435 0.0442 1.62 0.402 0.0301 1.95 2.523 0.9959 2062435 Enamine_004040 CC(C)C(NC(=O)c1ccccc1Cl)C(=O)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H15 compound treatment 0.344 -0.0468 -1.72 0.346 -0.0259 -1.68 -2.4024 -0.9999 2062436 Enamine_004041 Cc1oc2cc(O)ccc2c(=O)c1c3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H16 compound treatment 0.406 0.0152 0.56 0.388 0.0161 1.04 1.1294 0.9574 2062437 Enamine_004042 Cc1conc1NC(=O)CNC(=O)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H17 compound treatment 0.408 0.0172 0.63 0.393 0.0211 1.36 1.4101 0.9388 2062438 Enamine_004043 [O-][n+]1ccccc1SCc2nc3ccccc3c(=O)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H18 compound treatment 0.4 0.00919 0.34 0.375 0.00306 0.2 0.3787 0.9678 2062439 Enamine_004044 O=C(CSC1CCCC1)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H19 compound treatment 0.404 0.0132 0.48 0.388 0.0161 1.04 1.0774 0.9396 2062440 Enamine_004045 CSc1ccccc1NC(=O)CSc2cccc[n+]2[O-] 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H20 compound treatment 0.431 0.0402 1.48 0.404 0.0321 2.07 2.5106 0.9861 2062441 Enamine_004046 CCOC(=O)c1c(C)c(C)sc1NC(=O)CC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H21 compound treatment 0.407 0.0162 0.59 0.375 0.00306 0.2 0.5605 0.8944 2062442 Enamine_004047 O=C(COc1ccc(C#N)cc1)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H22 compound treatment 0.399 0.00819 0.3 0.369 -0.00294 -0.19 0.0782 0.2198 2062443 Enamine_004048 FC(F)(F)c1ccccc1C(=O)OC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H23 mock treatment 0.404 0.0132 0.48 0.377 0.00506 0.33 0.5741 0.9819 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 H24 mock treatment 0.389 -0.00181 -0.07 0.38 0.00806 0.52 0.3219 0.6119 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I01 compound treatment 0.404 0.0132 0.48 0.384 0.0121 0.78 0.8944 0.9736 2062444 Enamine_004049 Fc1ccc(cc1)c2nn(cc2/C=C/C(=O)NCc3ccccn3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I02 compound treatment 0.411 0.0202 0.74 0.385 0.0131 0.85 1.1219 0.9979 2062445 Enamine_004050 Cc1cc(=O)oc2cc(OCC(=O)NCC3CCCCC3)c(Cl)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I03 compound treatment 0.41 0.0192 0.7 0.382 0.0101 0.65 0.9587 0.9992 2062446 Enamine_004051 CC1=C(C(C2CCCCC2)C(=C(N)O1)C#N)C(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I04 compound treatment 0.403 0.0122 0.45 0.379 0.00706 0.46 0.6396 0.9999 2062447 Enamine_004052 CC(=O)N=c1scc(c2ccccc2)n1c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I05 compound treatment 0.464 0.0732 2.69 0.417 0.0451 2.92 3.9624 0.9992 2062448 Enamine_004053 O=C(Cc1ccsc1)OC(C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I06 compound treatment 0.424 0.0332 1.22 0.408 0.0361 2.33 2.5119 0.9541 1567244 Enamine_004054 CCC1CCCCN1C(=O)CSCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I07 compound treatment 0.39 -8.12E-4 -0.03 0.373 0.00106 0.07 0.0275 0.3672 2062449 Enamine_004055 C(=N/n1cnnc1)\c2ccc3ncccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I08 compound treatment 0.409 0.0182 0.67 0.398 0.0261 1.69 1.6648 0.9178 2062450 Enamine_004056 Fc1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I09 compound treatment 0.403 0.0122 0.45 0.405 0.0331 2.14 1.8293 0.8369 1323608 Enamine_004057 Cc1cc(C(=O)OCC(=O)N2CCc3ccccc3C2)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I10 compound treatment 0.409 0.0182 0.67 0.4 0.0281 1.82 1.7564 0.9077 2062451 Enamine_004058 CCOc1ccccc1NC(=O)Cn2c(CC)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I11 compound treatment 0.471 0.0802 2.94 0.437 0.0651 4.21 5.0593 0.9847 2062452 Enamine_004059 O=C(CCc1nc2ccccc2s1)NC3CCCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I12 compound treatment 0.417 0.0262 0.96 0.405 0.0331 2.14 2.1929 0.9348 2062453 Enamine_004060 CC(Sc1cccc[n+]1[O-])C(=O)Nc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I13 compound treatment 0.508 0.117 4.3 0.453 0.0811 5.25 6.7522 0.9952 2062454 Enamine_004061 Clc1ccc(Cl)c(c1)C(=O)CSC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I14 compound treatment 0.407 0.0162 0.59 0.401 0.0291 1.88 1.7502 0.8873 2062455 Enamine_004062 CC(NC(=O)CSc1cccc[n+]1[O-])c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I15 compound treatment 0.409 0.0182 0.67 0.386 0.0141 0.91 1.1157 0.9884 2062456 Enamine_004063 Cc1cc(NC(=O)c2ccco2)n(n1)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I16 compound treatment 0.411 0.0202 0.74 0.397 0.0251 1.62 1.671 0.9371 2062457 Enamine_004064 O=C(NC1(CC2CC3CC(C2)C1)C3)C4CCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I17 compound treatment 0.545 0.154 5.66 0.504 0.132 8.55 10.0466 0.98 2062458 Enamine_004065 COC(=O)C1=C(C)NC(=C(C1c2ccc(Br)cc2)C(=O)c3ccccc3)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I18 compound treatment 0.411 0.0202 0.74 0.388 0.0161 1.04 1.2592 0.9863 1014885 Enamine_004066 COc1cc(ccc1OCc2ccccc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I19 compound treatment 0.426 0.0352 1.29 0.396 0.0241 1.56 2.0147 0.9957 1056543 Enamine_004067 CCOC(=O)c1c(N)sc2CCCc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I20 compound treatment 0.425 0.0342 1.26 0.411 0.0391 2.53 2.6752 0.9478 2062459 Enamine_004068 COC(=O)c1cc(nc2n(nc(C)c12)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I21 compound treatment 0.402 0.0112 0.41 0.377 0.00506 0.33 0.5221 0.9937 2062460 Enamine_004069 Cc1nn(c(N)c1C(C)(O)C(F)(F)F)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I22 compound treatment 0.406 0.0152 0.56 0.39 0.0181 1.17 1.2209 0.9427 2062461 Enamine_004070 Cn1cnnc1SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I23 mock treatment 0.394 0.00319 0.12 0.381 0.00906 0.59 0.4975 0.8318 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 I24 mock treatment 0.388 -0.00281 -0.1 0.384 0.0121 0.78 0.4789 0.6082 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J01 compound treatment 0.398 0.00719 0.26 0.37 -0.00194 -0.13 0.098 0.3353 2062462 Enamine_004071 NS(=O)(=O)c1ccc(CNC(=O)CC2(CC3CC4CC(Br)(C3)C2)C4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J02 compound treatment 0.398 0.00719 0.26 0.368 -0.00394 -0.25 0.0065 0.0176 2062463 Enamine_004072 CN(C1CCCCC1)C(=O)CSc2ccccc2C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J03 compound treatment 0.399 0.00819 0.3 0.372 6.25E-5 0.0 0.2155 0.7166 1514879 Enamine_004073 CC1CCCCN1CC(O)COCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J04 compound treatment 0.409 0.0182 0.67 0.392 0.0201 1.3 1.3903 0.9523 2062464 Enamine_004074 CCSc1nc2ccccc2n1CC(=O)Nc3cc(Cl)ccc3OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J05 compound treatment 0.402 0.0112 0.41 0.381 0.00906 0.59 0.7052 0.9848 1310650 Enamine_004075 CC(C(=O)Nc1ccccn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J06 compound treatment 0.404 0.0132 0.48 0.366 -0.00594 -0.38 0.0707 0.1144 2062465 Enamine_004076 [O-][n+]1ccccc1SCC(=O)NCCCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J07 compound treatment 0.403 0.0122 0.45 0.374 0.00206 0.13 0.4108 0.8797 2062466 Enamine_004077 Fc1cc(Cl)ccc1NCC(=O)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J08 compound treatment 0.397 0.00619 0.23 0.376 0.00406 0.26 0.3466 0.9974 2062467 Enamine_004078 CC(C)C1CCC(C)CC1OC(=O)CSc2cccc[n+]2[O-] 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J09 compound treatment 0.395 0.00419 0.15 0.375 0.00306 0.2 0.2489 0.9921 2062468 Enamine_004079 COc1ccccc1NC(=O)Cc2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J10 compound treatment 0.394 0.00319 0.12 0.368 -0.00394 -0.25 -0.0974 -0.3474 2062469 Enamine_004080 COc1ccc(/C=N\c2ccccc2Sc3c(C)n[nH]c3C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J11 compound treatment 0.395 0.00419 0.15 0.374 0.00206 0.13 0.2031 0.9975 2062470 Enamine_004081 [O-][n+]1ccccc1SCC(=O)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J12 compound treatment 0.398 0.00719 0.26 0.373 0.00106 0.07 0.2353 0.8625 1033299 Enamine_004082 OC(=O)CCC(=O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J13 compound treatment 0.441 0.0502 1.84 0.422 0.0501 3.24 3.594 0.9643 2062471 Enamine_004083 CCN1C(=O)/C(=C\2/C(=O)N(Cc3ccc(Cl)cc3)c4ccccc24)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J14 compound treatment 0.407 0.0162 0.59 0.375 0.00306 0.2 0.5605 0.8944 2062472 Enamine_004084 COc1ccc(/C=N\c2cc(ccc2n3ccnc3)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J15 compound treatment 0.397 0.00619 0.23 0.368 -0.00394 -0.25 -0.0195 -0.0571 1670416 Enamine_004085 CC1CCN(CC1)C(=O)COC(=O)COc2ccccc2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J16 compound treatment 0.43 0.0392 1.44 0.395 0.0231 1.49 2.0729 0.9998 2062473 Enamine_004086 CN(C)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J17 compound treatment 0.447 0.0562 2.06 0.402 0.0301 1.95 2.8346 0.9996 2062474 Enamine_004087 Clc1cccc(/C=C/C(=O)Nc2ccc(cc2)N3CCOCC3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J18 compound treatment 0.397 0.00619 0.23 0.374 0.00206 0.13 0.255 0.9678 2062475 Enamine_004088 Fc1ccccc1N(CCC#N)C(=O)c2cncc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J19 compound treatment 0.42 0.0292 1.07 0.396 0.0241 1.56 1.8589 0.9834 2062476 Enamine_004089 [O-][n+]1ccccc1SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J20 compound treatment 0.398 0.00719 0.26 0.374 0.00206 0.13 0.281 0.9501 2062477 Enamine_004090 Brc1ccccc1C(=O)OCc2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J21 compound treatment 0.396 0.00519 0.19 0.369 -0.00294 -0.19 3.0E-4 0.0011 2062478 Enamine_004091 O=C(COc1ccc(C#N)cc1)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J22 compound treatment 0.394 0.00319 0.12 0.373 0.00106 0.07 0.1314 0.9678 2062479 Enamine_004092 O=C(OCc1cccs1)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J23 mock treatment 0.394 0.00319 0.12 0.374 0.00206 0.13 0.1771 0.9979 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 J24 mock treatment 0.386 -0.00481 -0.18 0.376 0.00406 0.26 0.0609 0.1923 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K01 compound treatment 0.431 0.0402 1.48 0.418 0.0461 2.98 3.1513 0.9474 1582574 Enamine_004093 Clc1ccc2oc(SCC(=O)NCc3ccccc3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K02 compound treatment 0.408 0.0172 0.63 0.39 0.0181 1.17 1.2728 0.9582 2062480 Enamine_004094 CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)NCC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K03 compound treatment 0.398 0.00719 0.26 0.376 0.00406 0.26 0.3725 1.0 2062481 Enamine_004095 Fc1cccc(c1)C(=O)/N=C\2/N(Cc3ccccc23)c4ncccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K04 compound treatment 0.403 0.0122 0.45 0.382 0.0101 0.65 0.7769 0.9833 1467344 Enamine_004096 CC(=O)N=c1scc(c2ccccc2)n1c3cccc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K05 compound treatment 0.419 0.0282 1.04 0.391 0.0191 1.23 1.6042 0.9962 2062482 Enamine_004097 O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K06 compound treatment 0.409 0.0182 0.67 0.384 0.0121 0.78 1.0242 0.997 2062483 Enamine_004098 COC(=O)CSc1nc2ccccc2n1CCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K07 compound treatment 0.41 0.0192 0.7 0.379 0.00706 0.46 0.8214 0.978 2062484 Enamine_004099 CN1C(=O)/C(=C(\C#N)/C(=O)Nc2cc(Cl)ccc2Cl)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K08 compound treatment 0.414 0.0232 0.85 0.382 0.0101 0.65 1.0625 0.9912 2062485 Enamine_004100 Cc1ccsc1C(=O)Oc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K09 compound treatment 0.397 0.00619 0.23 0.372 6.25E-5 0.0 0.1635 0.7196 2062486 Enamine_004101 Clc1ccc(/C=C/C(=O)N2CCN(CC2)C(=O)c3ccco3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K10 compound treatment 0.414 0.0232 0.85 0.404 0.0321 2.07 2.0692 0.9226 2062487 Enamine_004102 CCCc1nc2ccccc2n1CC(=O)Nc3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K11 compound treatment 0.398 0.00719 0.26 0.381 0.00906 0.59 0.6013 0.935 2062488 Enamine_004103 Clc1ccccc1NC(=O)COC(=O)CCc2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K12 compound treatment 0.438 0.0472 1.73 0.412 0.0401 2.59 3.0585 0.9808 1675086 Enamine_004104 Cc1cccc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K13 compound treatment 0.408 0.0172 0.63 0.369 -0.00294 -0.19 0.3119 0.4731 1341436 Enamine_004105 CC(C)(C)C(=O)CSc1cccc2cccnc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K14 compound treatment 0.404 0.0132 0.48 0.377 0.00506 0.33 0.5741 0.9819 1179944 Enamine_004106 Fc1ccc(NC(=O)COC(=O)CC2CC3CCC2C3)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K15 compound treatment 0.397 0.00619 0.23 0.383 0.0111 0.72 0.6669 0.8879 2062489 Enamine_004107 CCCN(CC1CC1)C(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K16 compound treatment 0.412 0.0212 0.78 0.381 0.00906 0.59 0.9648 0.9903 2062490 Enamine_004108 CC(SCC(=O)NC1(CC2CC3CC(C2)C1)C3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K17 compound treatment 0.404 0.0132 0.48 0.385 0.0131 0.85 0.9401 0.9651 2062491 Enamine_004109 C/C(=N\c1ccc(cc1)S(=O)(=O)N2CCCC2)/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K18 compound treatment 0.402 0.0112 0.41 0.385 0.0131 0.85 0.8882 0.9451 2062492 Enamine_004110 C(NC1=NCCS1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K19 compound treatment 0.393 0.00219 0.08 0.376 0.00406 0.26 0.2427 0.8829 2062493 Enamine_004111 OC(=O)COc1cccc(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K20 compound treatment 0.398 0.00719 0.26 0.382 0.0101 0.65 0.6471 0.9209 2062494 Enamine_004112 CCOc1ccccc1C(=O)NC(C(C)C)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K21 compound treatment 0.393 0.00219 0.08 0.375 0.00306 0.2 0.1969 0.9209 2062495 Enamine_004113 Cc1ccc(cc1)S(=O)(=O)N(CCC#N)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K22 compound treatment 0.398 0.00719 0.26 0.381 0.00906 0.59 0.6013 0.935 2062496 Enamine_004114 O=C(CSC1=NCCS1)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K23 mock treatment 0.393 0.00219 0.08 0.371 -9.37E-4 -0.06 0.0139 0.1381 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 K24 mock treatment 0.4 0.00919 0.34 0.382 0.0101 0.65 0.699 0.9531 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L01 compound treatment 0.406 0.0152 0.56 0.392 0.0201 1.3 1.3124 0.9288 2062497 Enamine_004115 Fc1cc(Br)ccc1NC(=O)C2CCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L02 compound treatment 0.402 0.0112 0.41 0.385 0.0131 0.85 0.8882 0.9451 2062498 Enamine_004116 OC(=O)c1ccccc1SCC(=O)NC2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L03 compound treatment 0.405 0.0142 0.52 0.389 0.0171 1.1 1.1491 0.9412 2062499 Enamine_004117 CN1CCCC(C1)OC(=O)c2cncc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L04 compound treatment 0.404 0.0132 0.48 0.394 0.0221 1.43 1.352 0.8968 2062500 Enamine_004118 CSc1nc2ccccc2n1CC(=O)N(C(C)C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L05 compound treatment 0.421 0.0302 1.11 0.401 0.0291 1.88 2.1137 0.9682 2062501 Enamine_004119 Fc1ccc(cc1)C(=O)Nc2nnc([nH]2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L06 compound treatment 0.4 0.00919 0.34 0.374 0.00206 0.13 0.3329 0.9176 2062502 Enamine_004120 CCN(C(=O)CSc1cccc[n+]1[O-])c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L07 compound treatment 0.398 0.00719 0.26 0.395 0.0231 1.49 1.2419 0.8194 2062503 Enamine_004121 CCc1ccc(NC(=O)C(C)Sc2cccc[n+]2[O-])cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L08 compound treatment 0.401 0.0102 0.37 0.391 0.0191 1.23 1.1368 0.8819 2062504 Enamine_004122 CCc1ccc(cc1)C(=O)CSc2cccc[n+]2[O-] 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L09 compound treatment 0.405 0.0142 0.52 0.4 0.0281 1.82 1.6525 0.8747 2062505 Enamine_004123 O=C(NC1CCC(CC1)NC(=O)c2ccc(C#N)cc2)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L10 compound treatment 0.41 0.0192 0.7 0.401 0.0291 1.88 1.8281 0.9102 2062506 Enamine_004124 FC(F)(F)c1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L11 compound treatment 0.406 0.0152 0.56 0.401 0.0291 1.88 1.7242 0.879 2062507 Enamine_004125 CC(NC(=O)COc1ccc(C#N)cc1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L12 compound treatment 0.461 0.0702 2.58 0.447 0.0751 4.86 5.2572 0.9561 2062508 Enamine_004126 COc1ccc(/C=C/2\COc3ccccc3C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L13 compound treatment 0.417 0.0262 0.96 0.407 0.0351 2.27 2.2844 0.927 2062509 Enamine_004127 CCCCN1C(=O)/C(=C\2/C(=O)N(Cc3ccccc3)c4ccccc24)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L14 compound treatment 0.439 0.0482 1.77 0.421 0.0491 3.17 3.4963 0.9619 2062510 Enamine_004128 O=C(CC1CCCC1)Nc2sc3CCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L15 compound treatment 0.436 0.0452 1.66 0.413 0.0411 2.66 3.0523 0.9743 2062511 Enamine_004129 O=C(COC(=O)/C=C/c1cn(nc1c2ccccc2)c3ccccc3)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L16 compound treatment 0.428 0.0372 1.37 0.404 0.0321 2.07 2.4327 0.9794 2062512 Enamine_004130 O=C(CNC(=O)C1CCCCC1)Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L17 compound treatment 0.449 0.0582 2.14 0.403 0.0311 2.01 2.9323 0.9995 2062513 Enamine_004131 CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L18 compound treatment 0.563 0.172 6.32 0.487 0.115 7.45 9.7361 0.9967 2062514 Enamine_004132 Brc1cncc(c1)C(=O)Oc2ccccc2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L19 compound treatment 0.493 0.102 3.75 0.451 0.0791 5.12 6.2712 0.9884 2062515 Enamine_004133 CCC(C)c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L20 compound treatment 0.406 0.0152 0.56 0.382 0.0101 0.65 0.8548 0.997 2062516 Enamine_004134 Clc1ncccc1C(=O)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L21 compound treatment 0.395 0.00419 0.15 0.381 0.00906 0.59 0.5234 0.8633 2062517 Enamine_004135 [O-][n+]1ccccc1SCC(=O)N2c3ccccc3Sc4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L22 compound treatment 0.398 0.00719 0.26 0.386 0.0141 0.91 0.8301 0.8761 2062518 Enamine_004136 O=C(OCCN1CCCC1=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L23 mock treatment 0.4 0.00919 0.34 0.377 0.00506 0.33 0.4702 0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 L24 mock treatment 0.393 0.00219 0.08 0.378 0.00606 0.39 0.3342 0.8346 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M01 compound treatment 0.401 0.0102 0.37 0.376 0.00406 0.26 0.4504 0.9851 1342779 Enamine_004137 O=C(Cc1ccccc1)OCc2csc(n2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M02 compound treatment 0.407 0.0162 0.59 0.388 0.0161 1.04 1.1553 0.9649 2062519 Enamine_004138 CN(C(=O)COc1ccc2ccc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M03 compound treatment 0.442 0.0512 1.88 0.402 0.0301 1.95 2.7048 0.9999 2062520 Enamine_004139 CCOC(=O)c1c(NC(=O)CC)scc1c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M04 compound treatment 0.404 0.0132 0.48 0.379 0.00706 0.46 0.6656 0.9996 2062521 Enamine_004140 Fc1cc(Cl)c(cc1F)C(=O)Nc2nnn[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M05 compound treatment 0.404 0.0132 0.48 0.388 0.0161 1.04 1.0774 0.9396 1287006 Enamine_004141 O=C(COC(=O)C1CCC(=O)N1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M06 compound treatment 0.416 0.0252 0.92 0.392 0.0201 1.3 1.5721 0.9862 2062522 Enamine_004142 COC(=O)CSc1nc2ccccc2n1c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M07 compound treatment 0.402 0.0112 0.41 0.39 0.0181 1.17 1.117 0.9016 2062523 Enamine_004143 OC(=O)c1ccccc1c2ccc(cc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M08 compound treatment 0.541 0.15 5.52 0.528 0.156 10.1 11.041 0.9595 2062524 Enamine_004144 CSc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M09 compound treatment 0.4 0.00919 0.34 0.387 0.0151 0.97 0.9278 0.8995 1650072 Enamine_004145 O=C(CSc1nnc[nH]1)NC2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M10 compound treatment 0.398 0.00719 0.26 0.393 0.0211 1.36 1.1504 0.8286 2062525 Enamine_004146 O=C(Cn1c(Cc2ccccc2)nc3ccccc13)N(CCC#N)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M11 compound treatment 0.398 0.00719 0.26 0.386 0.0141 0.91 0.8301 0.8761 1370137 Enamine_004147 CC(OC(=O)C1CC2CC1C=C2)C(=O)Nc3ccc(NC(=O)C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M12 compound treatment 0.412 0.0212 0.78 0.386 0.0141 0.91 1.1936 0.997 2062526 Enamine_004148 CCCSc1nc2ccccc2c(=O)n1c3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M13 compound treatment 0.402 0.0112 0.41 0.378 0.00606 0.39 0.5679 0.9997 2062527 Enamine_004149 Oc1ccc(/C=N/c2ccc(\N=C\c3ccc(O)cc3)c(Cl)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M14 compound treatment 0.45 0.0592 2.17 0.41 0.0381 2.46 3.2786 0.9981 2062528 Enamine_004150 Cc1c(C(=O)Cc2ccccc2)n(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M15 compound treatment 0.4 0.00919 0.34 0.376 0.00406 0.26 0.4245 0.9924 2062529 Enamine_004151 CN(CCc1ccccn1)C(=O)c2cc(nc3ccccc23)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M16 compound treatment 0.406 0.0152 0.56 0.389 0.0171 1.1 1.1751 0.95 2062530 Enamine_004152 O=C(COc1ccc(C#N)cc1)NCCCn2ccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M17 compound treatment 0.471 0.0802 2.94 0.414 0.0421 2.72 4.0069 0.9992 2062531 Enamine_004153 CC1CCc2c(csc2C1)C(=O)Nc3nccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M18 compound treatment 0.405 0.0142 0.52 0.386 0.0141 0.91 1.0119 0.965 2062532 Enamine_004154 CCC(=O)c1cc(Cl)cc(Cl)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M19 compound treatment 0.399 0.00819 0.3 0.379 0.00706 0.46 0.5358 0.9794 1132665 Enamine_004155 Cc1cc(SCC(=O)O)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M20 compound treatment 0.398 0.00719 0.26 0.384 0.0121 0.78 0.7386 0.8963 2062533 Enamine_004156 CC(C)C(NC(=O)c1cccc(C)c1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M21 compound treatment 0.393 0.00219 0.08 0.372 6.25E-5 0.0 0.0597 0.7418 2062534 Enamine_004157 CC(C)Oc1ncc(cc1Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M22 compound treatment 0.396 0.00519 0.19 0.372 6.25E-5 0.0 0.1376 0.722 2062535 Enamine_004158 O=C(CSC1=NCCN1)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M23 mock treatment 0.39 -8.12E-4 -0.03 0.376 0.00406 0.26 0.1648 0.6229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 M24 mock treatment 0.391 1.88E-4 0.01 0.369 -0.00294 -0.19 -0.1295 -0.681 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N01 compound treatment 0.399 0.00819 0.3 0.384 0.0121 0.78 0.7646 0.914 2062536 Enamine_004159 Cc1cc(NC(=O)C2CCC2)ccc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N02 compound treatment 0.394 0.00319 0.12 0.376 0.00406 0.26 0.2687 0.9336 2062537 Enamine_004160 OC(=O)c1ccccc1SCC(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N03 compound treatment 0.396 0.00519 0.19 0.386 0.0141 0.91 0.7782 0.837 2062538 Enamine_004161 CCC(C)SCC(=O)N1CCc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N04 compound treatment 0.402 0.0112 0.41 0.389 0.0171 1.1 1.0712 0.9093 2062539 Enamine_004162 CCSc1nc2ccccc2n1CC(=O)NCc3ccc(OC)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N05 compound treatment 0.44 0.0492 1.81 0.408 0.0361 2.33 2.9274 0.992 2062540 Enamine_004163 COc1ccc(cc1)C(=O)Nc2nnc([nH]2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N06 compound treatment 0.455 0.0642 2.36 0.434 0.0621 4.02 4.5066 0.9677 2062541 Enamine_004164 CC(NC(=O)Cn1nnc(n1)c2cccc(c2)C(F)(F)F)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N07 compound treatment 0.418 0.0272 1.0 0.394 0.0221 1.43 1.7155 0.9847 2062542 Enamine_004165 O=C(NCCc1c[nH]c2ccccc12)c3cc4ccccc4oc3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N08 compound treatment 0.395 0.00419 0.15 0.378 0.00606 0.39 0.3861 0.9164 2062543 Enamine_004166 [O-][n+]1ccccc1SCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N09 compound treatment 0.393 0.00219 0.08 0.391 0.0191 1.23 0.9291 0.7516 2062544 Enamine_004167 CN1CCCC(C1)OC(=O)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N10 compound treatment 0.409 0.0182 0.67 0.391 0.0191 1.23 1.3445 0.9585 2062545 Enamine_004168 O=C(Nc1ccccc1)C2(CCCCC2)N(Cc3ccccc3)C(=O)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N11 compound treatment 0.422 0.0312 1.15 0.419 0.0471 3.05 2.9633 0.9107 2062546 Enamine_004169 Cc1ccc(cc1)C(=O)Cn2nnc(n2)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N12 compound treatment 0.413 0.0222 0.81 0.392 0.0201 1.3 1.4942 0.9748 2062547 Enamine_004170 CN(C)c1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3ccccc3)C)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N13 compound treatment 0.402 0.0112 0.41 0.397 0.0251 1.62 1.4373 0.8591 1015599 Enamine_004171 Cc1ccccc1C(=O)OC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N14 compound treatment 0.397 0.00619 0.23 0.381 0.00906 0.59 0.5754 0.9148 2062548 Enamine_004172 O=C(CC1CCCC1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N15 compound treatment 0.443 0.0522 1.92 0.41 0.0381 2.46 3.0968 0.9923 2062549 Enamine_004173 Cc1ccc2nc(NC(=O)CNc3ccc(F)cc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N16 compound treatment 0.427 0.0362 1.33 0.406 0.0341 2.2 2.4983 0.9707 2062550 Enamine_004174 COC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N17 compound treatment 0.401 0.0102 0.37 0.398 0.0261 1.69 1.4571 0.8435 2062551 Enamine_004175 Cc1ccc(NC(=O)CSc2cccc[n+]2[O-])c(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N18 compound treatment 0.398 0.00719 0.26 0.374 0.00206 0.13 0.281 0.9501 2062552 Enamine_004176 CC1(C)Cc2cccc(OC(=O)c3cncc(Br)c3)c2O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N19 compound treatment 0.394 0.00319 0.12 0.387 0.0151 0.97 0.772 0.7864 2062553 Enamine_004177 CC1CCCCC1NC(=O)COc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N20 compound treatment 0.399 0.00819 0.3 0.374 0.00206 0.13 0.307 0.9332 2062554 Enamine_004178 CC(C)(C)c1ccc(cc1)C(=O)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N21 compound treatment 0.395 0.00419 0.15 0.385 0.0131 0.85 0.7064 0.8222 2062555 Enamine_004179 [O-][n+]1ccccc1SCC(=O)NCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N22 compound treatment 0.389 -0.00181 -0.07 0.371 -9.37E-4 -0.06 -0.09 -0.9989 2062556 Enamine_004180 Clc1ncccc1C(=O)OCc2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N23 mock treatment 0.392 0.00119 0.04 0.38 0.00806 0.52 0.3998 0.7635 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 N24 mock treatment 0.394 0.00319 0.12 0.368 -0.00394 -0.25 -0.0974 -0.3474 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O01 compound treatment 0.401 0.0102 0.37 0.376 0.00406 0.26 0.4504 0.9851 2062557 Enamine_004181 O=C(COC(=O)/C=C/c1ccccc1)NC2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O02 compound treatment 0.397 0.00619 0.23 0.383 0.0111 0.72 0.6669 0.8879 2062558 Enamine_004182 Cc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)c(Cl)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O03 compound treatment 0.396 0.00519 0.19 0.395 0.0231 1.49 1.19 0.7909 1477297 Enamine_004183 O=C(COC(=O)c1ccncc1)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O04 compound treatment 0.4 0.00919 0.34 0.394 0.0221 1.43 1.2481 0.8508 2062559 Enamine_004184 CCN(C1CCCCC1)C(=O)CSCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O05 compound treatment 0.399 0.00819 0.3 0.39 0.0181 1.17 1.0391 0.861 1552914 Enamine_004185 CN(C1CCCCC1)C(=O)COC(=O)C2CC3CC2C=C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O06 compound treatment 0.396 0.00519 0.19 0.394 0.0221 1.43 1.1442 0.7944 1532748 Enamine_004186 Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCCC3)c2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O07 compound treatment 0.388 -0.00281 -0.1 0.383 0.0111 0.72 0.4332 0.5989 2062560 Enamine_004187 OC(=O)CCOc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O08 compound treatment 0.4 0.00919 0.34 0.403 0.0311 2.01 1.6599 0.8144 2062561 Enamine_004188 OCCN(C(=O)c1cn(nc1c2cccs2)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O09 compound treatment 0.395 0.00419 0.15 0.386 0.0141 0.91 0.7522 0.815 2062562 Enamine_004189 Fc1ccc(CNC(=O)COC(=O)CC2CC3CCC2C3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O10 compound treatment 0.396 0.00519 0.19 0.385 0.0131 0.85 0.7324 0.8453 2062563 Enamine_004190 CCCc1nc2ccccc2n1CC(=O)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O11 compound treatment 0.399 0.00819 0.3 0.393 0.0211 1.36 1.1764 0.8428 2062564 Enamine_004191 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCCc2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O12 compound treatment 0.399 0.00819 0.3 0.387 0.0151 0.97 0.9018 0.8841 1273803 Enamine_004192 O=C(CN1C(=O)c2ccccc2S1(=O)=O)N3CCC(Cc4ccccc4)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O13 compound treatment 0.4 0.00919 0.34 0.383 0.0111 0.72 0.7448 0.9411 2062565 Enamine_004193 CC(C)N(C(=O)CSc1nnc[nH]1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O14 compound treatment 0.398 0.00719 0.26 0.387 0.0151 0.97 0.8759 0.8673 2062566 Enamine_004194 CCC1CCCCN1C(=O)CSC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O15 compound treatment 0.45 0.0592 2.17 0.423 0.0511 3.3 3.8734 0.9793 2062567 Enamine_004195 Clc1ccccc1NC(=O)c2cn3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O16 compound treatment 0.401 0.0102 0.37 0.392 0.0201 1.3 1.1826 0.8753 1157846 Enamine_004196 CN(Cc1ccccc1)C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O17 compound treatment 0.393 0.00219 0.08 0.381 0.00906 0.59 0.4715 0.7965 2062568 Enamine_004197 Cc1ccc(cc1)C(=O)Sc2nnc3ccccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O18 compound treatment 0.389 -0.00181 -0.07 0.384 0.0121 0.78 0.5049 0.6445 2062569 Enamine_004198 CCO/C=C/1\C(=O)N(Cc2ccccc2)C(=O)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O19 compound treatment 0.387 -0.00381 -0.14 0.385 0.0131 0.85 0.4987 0.5821 2062570 Enamine_004199 CCCn1cnc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O20 compound treatment 0.394 0.00319 0.12 0.385 0.0131 0.85 0.6805 0.7974 2062571 Enamine_004200 COc1cc(ccc1OC(C)C)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O21 compound treatment 0.387 -0.00381 -0.14 0.386 0.0141 0.91 0.5445 0.5914 2062572 Enamine_004201 CC1CN(C/C(=N/O)/C2(CC3CC4CC(C3)C2)C4)CC(C)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O22 compound treatment 0.394 0.00319 0.12 0.39 0.0181 1.17 0.9093 0.774 2062573 Enamine_004202 CC(C)N(C(=O)CSc1nncn1C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O23 mock treatment 0.395 0.00419 0.15 0.376 0.00406 0.26 0.2946 0.9674 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 O24 mock treatment 0.389 -0.00181 -0.07 0.361 -0.0109 -0.71 -0.5475 -0.7702 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P01 compound treatment 0.392 0.00119 0.04 0.36 -0.0119 -0.77 -0.5154 -0.6661 2062574 Enamine_004203 CN1CCCC(C1)OC(=O)c2ccc(C)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P02 compound treatment 0.397 0.00619 0.23 0.385 0.0131 0.85 0.7584 0.8664 2062575 Enamine_004204 OC(=O)c1ccccc1SCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P03 compound treatment 0.406 0.0152 0.56 0.401 0.0291 1.88 1.7242 0.879 2062576 Enamine_004205 O=C(CSC1CCCCC1)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P04 compound treatment 0.402 0.0112 0.41 0.395 0.0231 1.49 1.3458 0.8694 2062577 Enamine_004206 O=C(CSC1CCCC1)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P05 compound treatment 0.403 0.0122 0.45 0.401 0.0291 1.88 1.6463 0.8516 2062578 Enamine_004207 CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc([nH]2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P06 compound treatment 0.39 -8.12E-4 -0.03 0.38 0.00806 0.52 0.3478 0.6656 2062579 Enamine_004208 Clc1cc(Cl)cc(NC(=O)CSc2ccccn2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P07 compound treatment 0.4 0.00919 0.34 0.393 0.0211 1.36 1.2023 0.8563 2062580 Enamine_004209 O=C(CSC1=NCCN1)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P08 compound treatment 0.399 0.00819 0.3 0.39 0.0181 1.17 1.0391 0.861 2062581 Enamine_004210 O=C(COC(=O)c1ccco1)N(C2CCCCC2)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P09 compound treatment 0.403 0.0122 0.45 0.397 0.0251 1.62 1.4633 0.8697 2062582 Enamine_004211 CN1CCCC(C1)OC(=O)c2ccccc2I 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P10 compound treatment 0.401 0.0102 0.37 0.394 0.0221 1.43 1.2741 0.8632 1071518 Enamine_004212 CCOC(=O)c1c(N)scc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P11 compound treatment 0.396 0.00519 0.19 0.39 0.0181 1.17 0.9612 0.8116 2062583 Enamine_004213 CC(C)NC(=O)c1ccc(cc1)S(=O)(=O)N2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P12 compound treatment 0.426 0.0352 1.29 0.42 0.0481 3.11 3.1129 0.9243 2062584 Enamine_004214 CC(C)C(NC(=O)c1ccccc1)C(=O)Nc2nc3ccc(C)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P13 compound treatment 0.408 0.0172 0.63 0.401 0.0291 1.88 1.7761 0.8953 2062585 Enamine_004215 Cc1ccc(cc1)c2nn(cc2/C=C/3\SC(=S)NC3=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P14 compound treatment 0.4 0.00919 0.34 0.391 0.0191 1.23 1.1108 0.8686 2062586 Enamine_004216 O=C(CSC1=NCCS1)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P15 compound treatment 0.405 0.0142 0.52 0.393 0.0211 1.36 1.3322 0.913 2062587 Enamine_004217 Cc1ccccc1NCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P16 compound treatment 0.395 0.00419 0.15 0.392 0.0201 1.3 1.0268 0.7854 2062588 Enamine_004218 CCOC(=O)c1cccc(NC(=O)CNC(=O)C2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P17 compound treatment 0.397 0.00619 0.23 0.396 0.0241 1.56 1.2617 0.8018 2062589 Enamine_004219 [O-][n+]1ccccc1SCC(=O)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P18 compound treatment 0.397 0.00619 0.23 0.383 0.0111 0.72 0.6669 0.8879 2062590 Enamine_004220 CC(=O)N1CCN(CC1)C(=O)c2cncc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P19 compound treatment 0.395 0.00419 0.15 0.395 0.0231 1.49 1.164 0.7759 2062591 Enamine_004221 O=C(COc1ccc(C#N)cc1)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P20 compound treatment 0.399 0.00819 0.3 0.387 0.0151 0.97 0.9018 0.8841 2062592 Enamine_004222 O=C(OCCN1CCCC1=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P21 compound treatment 0.395 0.00419 0.15 0.385 0.0131 0.85 0.7064 0.8222 2062593 Enamine_004223 [O-][n+]1ccccc1SC(C(=O)Nc2cccc(c2)C(F)(F)F)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P22 compound treatment 0.388 -0.00281 -0.1 0.381 0.00906 0.59 0.3417 0.5737 2062594 Enamine_004224 CC1(CC2CC(C)(C)C1)CN2C(=O)CSCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P23 mock treatment 0.394 0.00319 0.12 0.391 0.0191 1.23 0.955 0.7707 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1405 P24 mock treatment 0.377 -0.0138 -0.51 0.361 -0.0109 -0.71 -0.8591 -0.9866 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A01 compound treatment 0.371 -0.0234 -0.86 0.372 -0.0234 -1.51 -1.6774 -0.9641 2062595 Enamine_004225 O=C(CCC1CCCCC1)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A02 compound treatment 0.393 -0.00141 -0.05 0.388 -0.00737 -0.48 -0.374 -0.7791 1649253 Enamine_004226 O=C(COc1ncnc2ccccc12)NCCC3=CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A03 compound treatment 0.389 -0.00541 -0.2 0.385 -0.0104 -0.67 -0.6151 -0.8786 2062596 Enamine_004227 O=C(CC1CCCC1)OCc2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A04 compound treatment 0.395 5.94E-4 0.02 0.387 -0.00837 -0.54 -0.3678 -0.6781 2062597 Enamine_004228 Cc1ccc(cc1)C(=O)CSc2cccc[n+]2[O-] 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A05 compound treatment 0.394 -4.06E-4 -0.01 0.388 -0.00737 -0.48 -0.348 -0.7289 2062598 Enamine_004229 CCc1nc2sc3CCCc3c2c(=O)n1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A06 compound treatment 0.395 5.94E-4 0.02 0.398 0.00263 0.17 0.1355 0.7914 2062599 Enamine_004230 CCc1ccc(NC(=O)COc2ncnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A07 compound treatment 0.389 -0.00541 -0.2 0.391 -0.00437 -0.28 -0.3406 -0.9849 2062600 Enamine_004231 CCN(C(=O)Cn1c(nc2ccccc12)c3ccco3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A08 compound treatment 0.405 0.0106 0.39 0.403 0.00763 0.49 0.624 0.9931 1302153 Enamine_004232 O=C(COC(=O)Cc1ccc(cc1)c2ccccc2)NCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A09 compound treatment 0.394 -4.06E-4 -0.01 0.386 -0.00937 -0.61 -0.4395 -0.7243 2062601 Enamine_004233 O=C(NCc1ccco1)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A10 compound treatment 0.395 5.94E-4 0.02 0.39 -0.00537 -0.35 -0.2305 -0.6615 2062602 Enamine_004234 Cc1cccc(NC(=O)Cn2c(CNC(=O)c3ccccc3)nc4ccccc24)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A11 compound treatment 0.391 -0.00341 -0.13 0.39 -0.00537 -0.35 -0.3344 -0.9047 2062603 Enamine_004235 CC(NC(=O)CSc1ccccc1Cl)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A12 compound treatment 0.406 0.0116 0.43 0.403 0.00763 0.49 0.65 0.9973 1796381 Enamine_004236 Cc1cc(C)cc(NC(=O)COC(=O)c2cccnc2Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A13 compound treatment 0.396 0.00159 0.06 0.395 -3.75E-4 -0.02 0.0242 0.3824 2062604 Enamine_004237 COc1ccc(cc1)n2c(SCC(=O)NC(C)(C)C)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A14 compound treatment 0.384 -0.0104 -0.38 0.381 -0.0144 -0.93 -0.928 -0.9228 1014835 Enamine_004238 CC(C)Oc1ccc(cc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A15 compound treatment 0.394 -4.06E-4 -0.01 0.385 -0.0104 -0.67 -0.4853 -0.7226 2062605 Enamine_004239 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A16 compound treatment 0.394 -4.06E-4 -0.01 0.397 0.00163 0.11 0.0638 0.6008 2062606 Enamine_004240 CC(=O)OCc1cn2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A17 compound treatment 0.38 -0.0144 -0.53 0.383 -0.0124 -0.8 -0.9403 -0.9797 2062607 Enamine_004241 Cc1ccc(cc1)C(=O)OCc2cn3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A18 compound treatment 0.395 5.94E-4 0.02 0.39 -0.00537 -0.35 -0.2305 -0.6615 2062608 Enamine_004242 CC1(CC2CC(C)(C)C1)CN2C(=O)CSc3ncnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A19 compound treatment 0.394 -4.06E-4 -0.01 0.391 -0.00437 -0.28 -0.2107 -0.7433 2062609 Enamine_004243 O=C(Nc1ccccc1)C2(CCCCC2)N(CCN3CCOCC3)C(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A20 compound treatment 0.386 -0.00841 -0.31 0.394 -0.00137 -0.09 -0.2812 -0.8753 2062610 Enamine_004244 CN(C(=O)COC(=O)C1(CCCC1)c2ccccc2F)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A21 compound treatment 0.396 0.00159 0.06 0.381 -0.0144 -0.93 -0.6164 -0.6613 2062611 Enamine_004245 COc1ccccc1NC(=O)c2cn(nc2c3cccnc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A22 compound treatment 0.396 0.00159 0.06 0.391 -0.00437 -0.28 -0.1588 -0.5493 2062612 Enamine_004246 CC1CCCN(C1)C(=O)COC(=O)c2ccc(NC(=O)C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A23 mock treatment 0.374 -0.0204 -0.75 0.388 -0.00737 -0.48 -0.8673 -0.9763 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 A24 mock treatment 0.398 0.00359 0.13 0.376 -0.0194 -1.25 -0.7932 -0.6292 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B01 compound treatment 0.406 0.0116 0.43 0.405 0.00963 0.62 0.7415 0.9828 1660328 Enamine_004247 NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B02 compound treatment 0.411 0.0166 0.61 0.405 0.00963 0.62 0.8713 0.9999 1401747 Enamine_004248 CC1CCCC(C)N1C(=O)COC(=O)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B03 compound treatment 0.409 0.0146 0.54 0.417 0.0216 1.4 1.3685 0.9132 2062613 Enamine_004249 CN(C(=O)COC(=O)c1cncc(Br)c1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B04 compound treatment 0.42 0.0256 0.94 0.426 0.0306 1.98 2.0659 0.9419 2062614 Enamine_004250 CN(C)C(=O)c1coc2nc3ccccc3nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B05 compound treatment 0.409 0.0146 0.54 0.418 0.0226 1.46 1.4142 0.9071 2062615 Enamine_004251 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)N(C)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B06 compound treatment 0.393 -0.00141 -0.05 0.39 -0.00537 -0.35 -0.2825 -0.8033 2062616 Enamine_004252 O=C(COC(=O)CCC1CCCC1)Nc2cccc(C#N)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B07 compound treatment 0.401 0.00659 0.24 0.408 0.0126 0.82 0.7489 0.8789 2062617 Enamine_004253 CN(C(=O)CSc1ncnc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B08 compound treatment 0.415 0.0206 0.76 0.415 0.0196 1.27 1.4327 0.9693 1368423 Enamine_004254 CC1CCCC(C)N1C(=O)CSc2nc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B09 compound treatment 0.406 0.0116 0.43 0.411 0.0156 1.01 1.016 0.9261 1351683 Enamine_004255 CC1CCN(CC1)C(=O)COC(=O)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B10 compound treatment 0.405 0.0106 0.39 0.403 0.00763 0.49 0.624 0.9931 2062618 Enamine_004256 Clc1c(sc2cc(Cl)ccc12)C(=O)OCCN3CCCC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B11 compound treatment 0.409 0.0146 0.54 0.413 0.0176 1.14 1.1854 0.9407 1166106 Enamine_004257 Cc1nnc(Oc2ccc(Cl)cc2Cl)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B12 compound treatment 0.408 0.0136 0.5 0.402 0.00663 0.43 0.6561 0.9971 2062619 Enamine_004258 O=C(CNC(=O)C1CCCCC1)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B13 compound treatment 0.409 0.0146 0.54 0.416 0.0206 1.33 1.3227 0.9197 2062620 Enamine_004259 CCOc1ccc(NC(=O)COC(=O)C(C)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B14 compound treatment 0.407 0.0126 0.46 0.407 0.0116 0.75 0.859 0.9727 2062621 Enamine_004260 O=C(OCc1cccs1)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B15 compound treatment 0.413 0.0186 0.68 0.412 0.0166 1.08 1.2435 0.9759 1190680 Enamine_004261 CC(C)c1ccc(cc1)C(=O)OCC(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B16 compound treatment 0.397 0.00259 0.1 0.393 -0.00237 -0.15 -0.0413 -0.2286 2062622 Enamine_004262 O=C(/C=C\c1cn(nc1c2cccs2)c3ccccc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B17 compound treatment 0.42 0.0256 0.94 0.418 0.0226 1.46 1.6999 0.977 2062623 Enamine_004263 O=C(CSC1=NCCS1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B18 compound treatment 0.402 0.00759 0.28 0.403 0.00763 0.49 0.5461 0.9635 1078250 Enamine_004264 Cc1cc(C(=O)O)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B19 compound treatment 0.406 0.0116 0.43 0.402 0.00663 0.43 0.6042 1.0 1203102 Enamine_004265 CC(NC(=O)CSc1nncn1C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B20 compound treatment 0.41 0.0156 0.57 0.401 0.00563 0.36 0.6623 0.9761 2062624 Enamine_004266 CCCc1nc2ccccc2c(C(=O)OCC(=O)N)c1CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B21 compound treatment 0.405 0.0106 0.39 0.403 0.00763 0.49 0.624 0.9931 1211741 Enamine_004267 Clc1cccc(Cl)c1C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B22 compound treatment 0.397 0.00259 0.1 0.397 0.00163 0.11 0.1417 0.9988 1578380 Enamine_004268 CS(=O)c1ccc2SCC(=O)Nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B23 mock treatment 0.401 0.00659 0.24 0.406 0.0106 0.69 0.6574 0.9018 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 B24 mock treatment 0.394 -4.06E-4 -0.01 0.396 6.25E-4 0.04 0.018 0.4187 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C01 compound treatment 0.381 -0.0134 -0.49 0.369 -0.0264 -1.71 -1.555 -0.8754 2062625 Enamine_004269 CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C02 compound treatment 0.381 -0.0134 -0.49 0.387 -0.00837 -0.54 -0.7313 -0.9988 1533948 Enamine_004270 CN(C1CCCCC1)C(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C03 compound treatment 0.379 -0.0154 -0.57 0.378 -0.0174 -1.12 -1.1951 -0.9495 2062626 Enamine_004271 Fc1ccccc1COC(=O)C2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C04 compound treatment 0.386 -0.00841 -0.31 0.391 -0.00437 -0.28 -0.4185 -0.9991 2062627 Enamine_004272 [O-][n+]1ccccc1SCC(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C05 compound treatment 0.38 -0.0144 -0.53 0.384 -0.0114 -0.74 -0.8946 -0.9869 2062628 Enamine_004273 CC1CN(CC(C)O1)C(=O)COc2ccccc2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C06 compound treatment 0.401 0.00659 0.24 0.402 0.00663 0.43 0.4744 0.9634 2062629 Enamine_004274 CC(=O)N1C(=O)/C(=C(\C#N)/C(=O)NCCc2ccccc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C07 compound treatment 0.381 -0.0134 -0.49 0.38 -0.0154 -0.99 -1.0516 -0.9474 2062630 Enamine_004275 CCCc1nc2ccccc2n1CC(=O)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C08 compound treatment 0.388 -0.00641 -0.24 0.391 -0.00437 -0.28 -0.3665 -0.9958 2062631 Enamine_004276 O=C(COc1ccccc1C#N)N2CCC(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C09 compound treatment 0.413 0.0186 0.68 0.41 0.0146 0.95 1.152 0.9872 2062632 Enamine_004277 Brc1cccc(/C=C/C(=O)N2CCc3ccccc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C10 compound treatment 0.383 -0.0114 -0.42 0.384 -0.0114 -0.74 -0.8167 -0.9643 2062633 Enamine_004278 CCc1nc2cc(C)nn2c3nc4ccccc4n13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C11 compound treatment 0.379 -0.0154 -0.57 0.379 -0.0164 -1.06 -1.1493 -0.9568 1879729 Enamine_004279 Brc1ccc(cc1)c2cc(C(=O)N3CCCC3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C12 compound treatment 0.383 -0.0114 -0.42 0.384 -0.0114 -0.74 -0.8167 -0.9643 2062634 Enamine_004280 Ic1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C13 compound treatment 0.387 -0.00741 -0.27 0.386 -0.00937 -0.61 -0.6213 -0.9345 1253363 Enamine_004281 Cc1ccc(cc1)C2N(C(=O)C(=C2C(=O)c3ccccc3)O)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C14 compound treatment 0.382 -0.0124 -0.46 0.379 -0.0164 -1.06 -1.0714 -0.9289 1076382 Enamine_004282 OC(=O)C1CN(Cc2ccccc2)C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C15 compound treatment 0.382 -0.0124 -0.46 0.379 -0.0164 -1.06 -1.0714 -0.9289 2062635 Enamine_004283 O=C(Nc1ccncc1)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C16 compound treatment 0.399 0.00459 0.17 0.395 -3.75E-4 -0.02 0.1021 0.5992 2062636 Enamine_004284 CC(CCc1ccccc1)NC(=O)CSc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C17 compound treatment 0.393 -0.00141 -0.05 0.389 -0.00637 -0.41 -0.3282 -0.7895 2062637 Enamine_004285 Nc1ccc(c(c1)C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C18 compound treatment 0.389 -0.00541 -0.2 0.394 -0.00137 -0.09 -0.2033 -0.9345 2062638 Enamine_004286 CN(C(=O)COC(=O)c1ccc(I)cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C19 compound treatment 0.384 -0.0104 -0.38 0.376 -0.0194 -1.25 -1.1568 -0.8825 2062639 Enamine_004287 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C20 compound treatment 0.382 -0.0124 -0.46 0.38 -0.0154 -0.99 -1.0257 -0.9373 2062640 Enamine_004288 Cc1ccc(cc1)C(=O)c2ccccc2C(=O)OCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C21 compound treatment 0.381 -0.0134 -0.49 0.384 -0.0114 -0.74 -0.8686 -0.9809 2062641 Enamine_004289 CN(C)C(=O)c1cn(nc1c2cccnc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C22 compound treatment 0.374 -0.0204 -0.75 0.373 -0.0224 -1.45 -1.5537 -0.953 2062642 Enamine_004290 Fc1cccc(NC(=O)COC(=O)C2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C23 mock treatment 0.378 -0.0164 -0.6 0.378 -0.0174 -1.12 -1.2211 -0.9572 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 C24 mock treatment 0.376 -0.0184 -0.68 0.379 -0.0164 -1.06 -1.2272 -0.9764 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D01 compound treatment 0.402 0.00759 0.28 0.397 0.00163 0.11 0.2715 0.9111 1328910 Enamine_004291 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D02 compound treatment 0.398 0.00359 0.13 0.399 0.00363 0.23 0.2592 0.963 2062643 Enamine_004292 Clc1ccccc1NC(=O)COC(=O)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D03 compound treatment 0.484 0.0896 3.29 0.472 0.0766 4.96 5.8326 0.9802 2062644 Enamine_004293 C/C=C/C(=O)Nc1ccc(cc1)c2nc3ccc(C)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D04 compound treatment 0.41 0.0156 0.57 0.397 0.00163 0.11 0.4793 0.8232 2062645 Enamine_004294 Fc1ccc(cc1)C(=O)c2ccc(OCC(=O)NC3CCCC3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D05 compound treatment 0.403 0.00859 0.32 0.398 0.00263 0.17 0.3433 0.9578 2062646 Enamine_004295 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D06 compound treatment 0.383 -0.0114 -0.42 0.385 -0.0104 -0.67 -0.7709 -0.9742 2062647 Enamine_004296 Fc1ccccc1CC(=O)OCC(=O)Nc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D07 compound treatment 0.405 0.0106 0.39 0.411 0.0156 1.01 0.9901 0.9139 2062648 Enamine_004297 Cc1ccc(NC(=O)COC(=O)c2cncc(Br)c2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D08 compound treatment 0.403 0.00859 0.32 0.404 0.00863 0.56 0.6178 0.9636 2062649 Enamine_004298 O=C(CSc1nnc[nH]1)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D09 compound treatment 0.432 0.0376 1.38 0.427 0.0316 2.05 2.4233 0.9816 2062650 Enamine_004299 CN(C)c1ccc(cc1)C(=O)OCC(=O)Nc2ccc(F)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D10 compound treatment 0.391 -0.00341 -0.13 0.392 -0.00337 -0.22 -0.2429 -0.965 1803582 Enamine_004300 CC(SC1=NCCS1)C(=O)Nc2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D11 compound treatment 0.399 0.00459 0.17 0.402 0.00663 0.43 0.4224 0.9169 1317710 Enamine_004301 Cc1ccsc1C(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D12 compound treatment 0.396 0.00159 0.06 0.389 -0.00637 -0.41 -0.2503 -0.6008 1186814 Enamine_004302 O=C(N=c1[nH]c(cs1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D13 compound treatment 0.402 0.00759 0.28 0.407 0.0116 0.75 0.7291 0.9088 2062651 Enamine_004303 Fc1ccccc1NC(=O)COC(=O)Cc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D14 compound treatment 0.42 0.0256 0.94 0.405 0.00963 0.62 1.105 0.98 2062652 Enamine_004304 CC(C)CCN1C(=O)/C(=N/O)/c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D15 compound treatment 0.398 0.00359 0.13 0.391 -0.00437 -0.28 -0.1069 -0.3422 1250538 Enamine_004305 O=C(COC(=O)C1CCC1)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D16 compound treatment 0.403 0.00859 0.32 0.402 0.00663 0.43 0.5263 0.9886 2062653 Enamine_004306 N#CCc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D17 compound treatment 0.411 0.0166 0.61 0.405 0.00963 0.62 0.8713 0.9999 2062654 Enamine_004307 O=C(N(Cc1ccccc1)c2ccccn2)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D18 compound treatment 0.402 0.00759 0.28 0.399 0.00363 0.23 0.3631 0.9963 2062655 Enamine_004308 COc1cccc(/C=C(/C(=O)O)\c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D19 compound treatment 0.402 0.00759 0.28 0.402 0.00663 0.43 0.5003 0.9783 2062656 Enamine_004309 O=C(Cn1cnc2ccccc12)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D20 compound treatment 0.405 0.0106 0.39 0.405 0.00963 0.62 0.7155 0.9743 1634009 Enamine_004310 NC(=O)COC(=O)c1c2CCCc2nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D21 compound treatment 0.399 0.00459 0.17 0.393 -0.00237 -0.15 0.0106 0.0465 2062657 Enamine_004311 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D22 compound treatment 0.397 0.00259 0.1 0.399 0.00363 0.23 0.2332 0.9212 1147693 Enamine_004312 Cc1ccccc1NC(=O)CC2Nc3cc(C)c(C)cc3NC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D23 mock treatment 0.399 0.00459 0.17 0.397 0.00163 0.11 0.1936 0.9741 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 D24 mock treatment 0.397 0.00259 0.1 0.391 -0.00437 -0.28 -0.1328 -0.4447 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E01 compound treatment 0.392 -0.00241 -0.09 0.403 0.00763 0.49 0.2864 0.5714 2062658 Enamine_004313 Clc1ncccc1C(=O)OC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E02 compound treatment 0.404 0.00959 0.35 0.405 0.00963 0.62 0.6895 0.9636 1350245 Enamine_004314 CC1CC(C)CN(C1)C(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E03 compound treatment 0.385 -0.00941 -0.35 0.385 -0.0104 -0.67 -0.719 -0.9523 2062659 Enamine_004315 Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E04 compound treatment 0.401 0.00659 0.24 0.407 0.0116 0.75 0.7032 0.8898 1225409 Enamine_004316 Cc1cccc(C)c1NC(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E05 compound treatment 0.395 5.94E-4 0.02 0.393 -0.00237 -0.15 -0.0933 -0.6008 2062660 Enamine_004317 Cc1[nH]c2ccccc2c1C(=O)CSc3cccc[n+]3[O-] 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E06 compound treatment 0.478 0.0836 3.07 0.459 0.0636 4.12 5.082 0.9895 2062661 Enamine_004318 CC(C)c1ccc(cc1)C(=O)OCC(=O)NCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E07 compound treatment 0.401 0.00659 0.24 0.407 0.0116 0.75 0.7032 0.8898 2062662 Enamine_004319 CCCc1nc2ccccc2n1CC(=O)N(CCC#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E08 compound treatment 0.405 0.0106 0.39 0.414 0.0186 1.21 1.1273 0.8901 2062663 Enamine_004320 CC1CCCN(C1)C(=O)COC(=O)c2ccc(Cl)nc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E09 compound treatment 0.406 0.0116 0.43 0.405 0.00963 0.62 0.7415 0.9828 2062664 Enamine_004321 O=C(COc1ccc(C#N)cc1)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E10 compound treatment 0.413 0.0186 0.68 0.415 0.0196 1.27 1.3808 0.9576 2062665 Enamine_004322 Fc1ccccc1C(=O)CSC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E11 compound treatment 0.399 0.00459 0.17 0.398 0.00263 0.17 0.2394 1.0 1567017 Enamine_004323 CC(C)N(C(=O)COc1ncnc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E12 compound treatment 0.423 0.0286 1.05 0.433 0.0376 2.43 2.4641 0.9293 1249566 Enamine_004324 Clc1cc(Cl)cc(NC(=O)COC(=O)C2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E13 compound treatment 0.406 0.0116 0.43 0.415 0.0196 1.27 1.1991 0.8952 2062666 Enamine_004325 O=C/1N(Cc2ccccc2)C(=S)S\C1=C/c3cc4ccccc4[nH]c3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E14 compound treatment 0.4 0.00559 0.21 0.397 0.00163 0.11 0.2196 0.9516 1014822 Enamine_004326 CCCOc1ccc(cc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E15 compound treatment 0.399 0.00459 0.17 0.408 0.0126 0.82 0.697 0.8355 2062667 Enamine_004327 CN1CCCC(C1)OC(=O)c2cc(Br)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E16 compound treatment 0.404 0.00959 0.35 0.398 0.00263 0.17 0.3692 0.944 2062668 Enamine_004328 CCC(C)(C)NC(=O)c1ccc2OCCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E17 compound treatment 0.411 0.0166 0.61 0.402 0.00663 0.43 0.734 0.9852 2062669 Enamine_004329 CCOc1ccccc1OCCCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E18 compound treatment 0.409 0.0146 0.54 0.409 0.0136 0.88 1.0024 0.9715 2062670 Enamine_004330 CC1CN(CC(C)O1)C(=O)COC(=O)c2ccc(I)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E19 compound treatment 0.401 0.00659 0.24 0.392 -0.00337 -0.22 0.0168 0.0515 2062671 Enamine_004331 CC1(CC2(C)CC3(O)C1)CC(C2)(C3)C(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E20 compound treatment 0.406 0.0116 0.43 0.413 0.0176 1.14 1.1075 0.9097 2062672 Enamine_004332 CCOc1ccc(NC(=O)COC(=O)CCC2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E21 compound treatment 0.449 0.0546 2.0 0.449 0.0536 3.47 3.8714 0.966 2062673 Enamine_004333 Cc1cccc(NC(=O)c2cn(nc2c3cccnc3)c4ccccc4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E22 compound treatment 0.404 0.00959 0.35 0.403 0.00763 0.49 0.598 0.9864 2062674 Enamine_004334 Cc1ccsc1C(=O)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E23 mock treatment 0.399 0.00459 0.17 0.397 0.00163 0.11 0.1936 0.9741 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 E24 mock treatment 0.397 0.00259 0.1 0.403 0.00763 0.49 0.4163 0.8283 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F01 compound treatment 0.406 0.0116 0.43 0.404 0.00863 0.56 0.6957 0.9911 2062675 Enamine_004335 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F02 compound treatment 0.407 0.0126 0.46 0.411 0.0156 1.01 1.042 0.9372 2062676 Enamine_004336 CCc1nc2ccccc2c(C(=O)OCc3ccc(C#N)cc3)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F03 compound treatment 0.408 0.0136 0.5 0.407 0.0116 0.75 0.8849 0.9802 2062677 Enamine_004337 CN(Cc1ccccc1)C(=O)COC(=O)Cc2c(Cl)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F04 compound treatment 0.404 0.00959 0.35 0.403 0.00763 0.49 0.598 0.9864 1167936 Enamine_004338 CCC1CCCCN1C(=O)COC(=O)COc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F05 compound treatment 0.422 0.0276 1.01 0.423 0.0276 1.79 1.9806 0.9638 2062678 Enamine_004339 Clc1ncccc1C(=O)OCc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F06 compound treatment 0.412 0.0176 0.65 0.408 0.0126 0.82 1.0345 0.9932 1482501 Enamine_004340 CN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F07 compound treatment 0.446 0.0516 1.89 0.445 0.0496 3.21 3.6105 0.9683 2062679 Enamine_004341 Clc1cccc(Cl)c1NC(=O)COC(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F08 compound treatment 0.452 0.0576 2.11 0.463 0.0676 4.38 4.5899 0.9443 2062680 Enamine_004342 N(c1ccccc1)c2ccc(/C=N/n3cnnc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F09 compound treatment 0.463 0.0686 2.52 0.439 0.0436 2.82 3.7773 0.9984 2062681 Enamine_004343 CCc1ccc(NC(=O)C(C)OC(=O)c2ccc(C#N)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F10 compound treatment 0.407 0.0126 0.46 0.414 0.0186 1.21 1.1793 0.9135 2062682 Enamine_004344 Clc1c(sc2ccccc12)c3nnc4CCCn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F11 compound treatment 0.406 0.0116 0.43 0.406 0.0106 0.69 0.7872 0.9734 2062683 Enamine_004345 CC1CCCC(C)N1C(=O)COC(=O)/C=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F12 compound treatment 0.431 0.0366 1.34 0.438 0.0426 2.76 2.9006 0.9454 2062684 Enamine_004346 CN(C)c1ccc(cc1)C2NC(=NO2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F13 compound treatment 0.409 0.0146 0.54 0.415 0.0196 1.27 1.277 0.9264 1451049 Enamine_004347 CN(C(=O)COC(=O)c1sccc1C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F14 compound treatment 0.426 0.0316 1.16 0.421 0.0256 1.66 1.9929 0.9847 1651465 Enamine_004348 CCOC(=O)c1[nH]cnc1C(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F15 compound treatment 0.41 0.0156 0.57 0.404 0.00863 0.56 0.7996 0.9999 2062685 Enamine_004349 O=C(CCOc1ccccc1)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F16 compound treatment 0.551 0.157 5.75 0.546 0.151 9.75 10.9585 0.9683 2062686 Enamine_004350 CCc1ccc(cc1)c2nn(cc2/C=C/3\SC(=S)NC3=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F17 compound treatment 0.425 0.0306 1.12 0.411 0.0156 1.01 1.5094 0.9986 2062687 Enamine_004351 CCc1ccc(OCC(=O)OCCN2CCCC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F18 compound treatment 0.416 0.0216 0.79 0.408 0.0126 0.82 1.1384 0.9999 2062688 Enamine_004352 COC(=O)Cc1ccc(C#N)n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F19 compound treatment 0.409 0.0146 0.54 0.408 0.0126 0.82 0.9566 0.9791 1582861 Enamine_004353 CC1CC(C)CN(C1)C(=O)COC(=O)COc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F20 compound treatment 0.403 0.00859 0.32 0.402 0.00663 0.43 0.5263 0.9886 1561231 Enamine_004354 COc1ccccc1C(=O)OCC(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F21 compound treatment 0.406 0.0116 0.43 0.404 0.00863 0.56 0.6957 0.9911 2062689 Enamine_004355 CN(C(=O)COC(=O)c1cc(F)c(F)cc1Cl)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F22 compound treatment 0.408 0.0136 0.5 0.41 0.0146 0.95 1.0222 0.9553 2062690 Enamine_004356 Nc1c(Br)cc2oc(nc2c1Br)c3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F23 mock treatment 0.401 0.00659 0.24 0.407 0.0116 0.75 0.7032 0.8898 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 F24 mock treatment 0.409 0.0146 0.54 0.403 0.00763 0.49 0.7279 0.9991 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G01 compound treatment 0.391 -0.00341 -0.13 0.398 0.00263 0.17 0.0317 0.1501 2062691 Enamine_004357 Cc1cccc(OCC(=O)OCCN2CCCC2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G02 compound treatment 0.397 0.00259 0.1 0.396 6.25E-4 0.04 0.0959 0.9272 1250029 Enamine_004358 NC(=O)COc1ncnc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G03 compound treatment 0.394 -4.06E-4 -0.01 0.394 -0.00137 -0.09 -0.0735 -0.8143 2062692 Enamine_004359 CC(NC(=O)C)C(=O)OCc1ccc(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G04 compound treatment 0.415 0.0206 0.76 0.41 0.0146 0.95 1.204 0.9938 2062693 Enamine_004360 Cc1[nH]c2ccccc2c1C(=O)Cn3nnc(n3)c4cccc(c4)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G05 compound treatment 0.401 0.00659 0.24 0.396 6.25E-4 0.04 0.1998 0.8139 2062694 Enamine_004361 CCCCc1nc2ccccc2n1CC(=O)Nc3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G06 compound treatment 0.404 0.00959 0.35 0.397 0.00163 0.11 0.3235 0.8798 2062695 Enamine_004362 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G07 compound treatment 0.397 0.00259 0.1 0.395 -3.75E-4 -0.02 0.0502 0.5106 2062696 Enamine_004363 CC(=O)N1CCN(CC1)C(=O)COc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G08 compound treatment 0.403 0.00859 0.32 0.409 0.0136 0.88 0.8466 0.904 1266290 Enamine_004364 CN(C(=O)COC(=O)c1ccc(Br)o1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G09 compound treatment 0.398 0.00359 0.13 0.403 0.00763 0.49 0.4422 0.8658 1201372 Enamine_004365 Cc1cc(=O)oc2cc(OCC(=O)N3CCCC3)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G10 compound treatment 0.406 0.0116 0.43 0.403 0.00763 0.49 0.65 0.9973 2062697 Enamine_004366 Fc1ccccc1C(=O)CSCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G11 compound treatment 0.416 0.0216 0.79 0.417 0.0216 1.4 1.5502 0.9638 2062698 Enamine_004367 FC(F)(F)c1cccc(NC(=O)COc2ncnc3ccccc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G12 compound treatment 0.403 0.00859 0.32 0.4 0.00463 0.3 0.4348 0.9996 2062699 Enamine_004368 CCN(C(=O)CSc1ncnc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G13 compound treatment 0.396 0.00159 0.06 0.401 0.00563 0.36 0.2988 0.8104 2062700 Enamine_004369 CN(C1CCN(C)CC1)C(=O)/C(=C/c2ccc(Cl)cc2)/c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G14 compound treatment 0.412 0.0176 0.65 0.41 0.0146 0.95 1.1261 0.9827 2062701 Enamine_004370 O=C(Nc1ccccc1)C2(CCCC2)N(C3CC3)C(=O)/C=C/c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G15 compound treatment 0.397 0.00259 0.1 0.397 0.00163 0.11 0.1417 0.9988 2062702 Enamine_004371 O=C(N1CCCC1)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G16 compound treatment 0.441 0.0466 1.71 0.435 0.0396 2.56 3.023 0.9807 2062703 Enamine_004372 COc1ccc(CNC(=O)Cn2c(SC)nc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G17 compound treatment 0.403 0.00859 0.32 0.404 0.00863 0.56 0.6178 0.9636 1041544 Enamine_004373 COc1ccc(OCCCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G18 compound treatment 0.499 0.105 3.84 0.464 0.0686 4.44 5.8561 0.9974 2062704 Enamine_004374 O=C(CSc1ncnc2ccccc12)N(Cc3ccccc3)Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G19 compound treatment 0.395 5.94E-4 0.02 0.399 0.00363 0.23 0.1813 0.7695 2062705 Enamine_004375 ClCc1nc2ccccc2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G20 compound treatment 0.46 0.0656 2.41 0.45 0.0546 3.53 4.2028 0.9825 2062706 Enamine_004376 Cc1cccc(C(=O)OCC(=O)NC2CCCCCC2)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G21 compound treatment 0.406 0.0116 0.43 0.399 0.00363 0.23 0.4669 0.9606 2062707 Enamine_004377 O/N=C(\O)/c1cc(nn1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G22 compound treatment 0.398 0.00359 0.13 0.397 0.00163 0.11 0.1677 0.9937 1314471 Enamine_004378 Cc1cc(C(=O)OCC(=O)NC2CCCCC2)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G23 mock treatment 0.396 0.00159 0.06 0.39 -0.00537 -0.35 -0.2046 -0.58 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 G24 mock treatment 0.395 5.94E-4 0.02 0.395 -3.75E-4 -0.02 -0.0017 -0.0534 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H01 compound treatment 0.399 0.00459 0.17 0.398 0.00263 0.17 0.2394 1.0 2062708 Enamine_004379 Fc1ccc(NC(=O)CSc2ncnc3ccccc23)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H02 compound treatment 0.401 0.00659 0.24 0.398 0.00263 0.17 0.2913 0.985 1544080 Enamine_004380 Clc1ccc(CNC(=O)COC(=O)C2CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H03 compound treatment 0.398 0.00359 0.13 0.394 -0.00137 -0.09 0.0304 0.191 1415571 Enamine_004381 CC1CCCC(C)N1C(=O)CSc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H04 compound treatment 0.48 0.0856 3.14 0.481 0.0856 5.54 6.1406 0.9639 2062709 Enamine_004382 O=C(Oc1ccc2ccccc2c1)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H05 compound treatment 0.442 0.0476 1.75 0.429 0.0336 2.18 2.7745 0.9941 2062710 Enamine_004383 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H06 compound treatment 0.396 0.00159 0.06 0.392 -0.00337 -0.22 -0.113 -0.5 2062711 Enamine_004384 CC(OC(=O)c1ccncc1)C(=O)Nc2cc(ccc2Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H07 compound treatment 0.404 0.00959 0.35 0.4 0.00463 0.3 0.4607 0.9967 2062712 Enamine_004385 Clc1ccc(cn1)C(=O)OCC(=O)N2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H08 compound treatment 0.399 0.00459 0.17 0.402 0.00663 0.43 0.4224 0.9169 1377359 Enamine_004386 CN(Cc1ccccc1)C(=O)COC(=O)c2cc(C)oc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H09 compound treatment 0.398 0.00359 0.13 0.402 0.00663 0.43 0.3965 0.8838 2062713 Enamine_004387 CC1CC(C)CN(C1)C(=O)COC(=O)/C=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H10 compound treatment 0.402 0.00759 0.28 0.394 -0.00137 -0.09 0.1343 0.4587 2062714 Enamine_004388 N#Cc1ccc(OCc2nnc3CCCCCn23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H11 compound treatment 0.4 0.00559 0.21 0.393 -0.00237 -0.15 0.0366 0.1426 1397639 Enamine_004389 Cc1ccc(s1)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H12 compound treatment 0.509 0.115 4.21 0.514 0.119 7.68 8.4036 0.96 2062715 Enamine_004390 Cc1c(/C=N/O)c2ccccn2c1C(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H13 compound treatment 0.4 0.00559 0.21 0.403 0.00763 0.49 0.4942 0.9246 1444579 Enamine_004391 NC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H14 compound treatment 0.389 -0.00541 -0.2 0.39 -0.00537 -0.35 -0.3863 -0.9646 1477385 Enamine_004392 CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCC(C)CC3)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H15 compound treatment 0.404 0.00959 0.35 0.409 0.0136 0.88 0.8726 0.919 2062716 Enamine_004393 CC1Cc2ccccc2N1C(=O)c3cc(Cl)cc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H16 compound treatment 0.406 0.0116 0.43 0.403 0.00763 0.49 0.65 0.9973 2062717 Enamine_004394 CNc1ccccc1C(C)(C)c2n[nH]cc2c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H17 compound treatment 0.409 0.0146 0.54 0.414 0.0186 1.21 1.2312 0.9334 2062718 Enamine_004395 COc1ccccc1/C=C/C(=O)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H18 compound treatment 0.405 0.0106 0.39 0.394 -0.00137 -0.09 0.2122 0.5316 2062719 Enamine_004396 COC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H19 compound treatment 0.418 0.0236 0.87 0.399 0.00363 0.23 0.7785 0.8673 2062720 Enamine_004397 CC(Sc1ncnc2ccccc12)C(=O)Nc3cccc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H20 compound treatment 0.402 0.00759 0.28 0.397 0.00163 0.11 0.2715 0.9111 2062721 Enamine_004398 CC1CCCCC1NC(=O)COC(=O)c2cc(C)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H21 compound treatment 0.403 0.00859 0.32 0.402 0.00663 0.43 0.5263 0.9886 2062722 Enamine_004399 CN(Cc1ccccc1)C(=O)COC(=O)c2cncc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H22 compound treatment 0.414 0.0196 0.72 0.417 0.0216 1.4 1.4983 0.9522 2062723 Enamine_004400 Fc1ccccc1C(=O)CSCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H23 mock treatment 0.402 0.00759 0.28 0.397 0.00163 0.11 0.2715 0.9111 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 H24 mock treatment 0.396 0.00159 0.06 0.402 0.00663 0.43 0.3445 0.7963 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I01 compound treatment 0.403 0.00859 0.32 0.407 0.0116 0.75 0.7551 0.9256 2062724 Enamine_004401 COc1ccccc1COC(=O)C2CCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I02 compound treatment 0.41 0.0156 0.57 0.404 0.00863 0.56 0.7996 0.9999 1526948 Enamine_004402 O=C(COc1ncnc2ccccc12)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I03 compound treatment 0.42 0.0256 0.94 0.417 0.0216 1.4 1.6541 0.9812 2062725 Enamine_004403 CCCCN1C(=O)/C(=C(\C#N)/C(=O)N)/c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I04 compound treatment 0.386 -0.00841 -0.31 0.394 -0.00137 -0.09 -0.2812 -0.8753 2062726 Enamine_004404 Cc1[nH]c2ccccc2c1C(=O)COc3ncnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I05 compound treatment 0.411 0.0166 0.61 0.406 0.0106 0.69 0.9171 0.9982 2062727 Enamine_004405 Clc1ccccc1NC(=O)Cn2c(nc3ccccc23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I06 compound treatment 0.427 0.0326 1.2 0.421 0.0256 1.66 2.0189 0.9872 2062728 Enamine_004406 Fc1cc(Cl)ccc1NC(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I07 compound treatment 0.41 0.0156 0.57 0.401 0.00563 0.36 0.6623 0.9761 2062729 Enamine_004407 NC(=O)C1CCN(CC1)C(=O)/C=C/c2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I08 compound treatment 0.41 0.0156 0.57 0.413 0.0176 1.14 1.2114 0.9492 1685509 Enamine_004408 CC1CCCC(C)N1C(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I09 compound treatment 0.403 0.00859 0.32 0.411 0.0156 1.01 0.9381 0.8857 2062730 Enamine_004409 CN(C1CCCCC1)C(=O)COc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I10 compound treatment 0.456 0.0616 2.26 0.453 0.0576 3.73 4.2362 0.9713 1732584 Enamine_004410 Cc1ccc(c(C)c1)n2c(N)c(C#N)c3nc4ccccc4nc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I11 compound treatment 0.436 0.0416 1.53 0.426 0.0306 1.98 2.4814 0.9917 2062731 Enamine_004411 Cc1ccc(NC(=O)COc2ncnc3ccccc23)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I12 compound treatment 0.417 0.0226 0.83 0.415 0.0196 1.27 1.4847 0.9787 2062732 Enamine_004412 Clc1cccc(Cl)c1CN2C(=O)CCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I13 compound treatment 0.446 0.0516 1.89 0.439 0.0436 2.82 3.3359 0.9812 2062733 Enamine_004413 CN1CCCN(CC1)C(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I14 compound treatment 0.556 0.162 5.93 0.539 0.144 9.29 10.768 0.9765 2062734 Enamine_004414 CC1CC/C(=C/c2ccc(Cl)cc2)/C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I15 compound treatment 0.396 0.00159 0.06 0.388 -0.00737 -0.48 -0.2961 -0.6158 2062735 Enamine_004415 Brc1cccc(NC(=O)CC2CCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I16 compound treatment 0.424 0.0296 1.09 0.41 0.0146 0.95 1.4377 0.9976 2062736 Enamine_004416 CSc1nc2ccccc2n1CC(=O)Nc3ccccc3SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I17 compound treatment 0.419 0.0246 0.9 0.416 0.0206 1.33 1.5824 0.9819 2062737 Enamine_004417 CC(C)(C)c1ccc(OCCCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I18 compound treatment 0.423 0.0286 1.05 0.417 0.0216 1.4 1.732 0.99 1683042 Enamine_004418 CC1CCN(CC1)C(=O)COC(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I19 compound treatment 0.425 0.0306 1.12 0.415 0.0196 1.27 1.6924 0.9981 1722491 Enamine_004419 OC1=C(C(OC1=O)c2ccccc2)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I20 compound treatment 0.416 0.0216 0.79 0.406 0.0106 0.69 1.0469 0.9975 2062738 Enamine_004420 CC1CCN(CC1)C(=O)COC(=O)c2ccc(I)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I21 compound treatment 0.394 -4.06E-4 -0.01 0.402 0.00663 0.43 0.2926 0.6821 1011034 Enamine_004421 OC(=O)CCC(=O)c1cccs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I22 compound treatment 0.415 0.0206 0.76 0.412 0.0166 1.08 1.2955 0.9851 1660551 Enamine_004422 Ic1ccc(cc1)C(=O)OCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I23 mock treatment 0.402 0.00759 0.28 0.403 0.00763 0.49 0.5461 0.9635 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 I24 mock treatment 0.397 0.00259 0.1 0.411 0.0156 1.01 0.7823 0.7703 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J01 compound treatment 0.396 0.00159 0.06 0.394 -0.00137 -0.09 -0.0215 -0.2022 2062739 Enamine_004423 FC(F)(F)c1ccccc1NC(=O)COC(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J02 compound treatment 0.397 0.00259 0.1 0.392 -0.00337 -0.22 -0.0871 -0.3655 1303758 Enamine_004424 CC(NC(=O)COc1ncnc2ccccc12)C3CC4CCC3C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J03 compound treatment 0.393 -0.00141 -0.05 0.393 -0.00237 -0.15 -0.1452 -0.8955 1487187 Enamine_004425 CN(C1CCCCC1)C(=O)COC(=O)c2cncc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J04 compound treatment 0.396 0.00159 0.06 0.397 0.00163 0.11 0.1157 0.9617 1590480 Enamine_004426 COc1ccc(cc1)C(=O)OCC(=O)N(C)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J05 compound treatment 0.404 0.00959 0.35 0.399 0.00363 0.23 0.415 0.9805 2062740 Enamine_004427 COc1ccc(Cl)cc1NC(=O)COC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J06 compound treatment 0.408 0.0136 0.5 0.396 6.25E-4 0.04 0.3816 0.7619 2062741 Enamine_004428 CNC(=O)CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J07 compound treatment 0.397 0.00259 0.1 0.395 -3.75E-4 -0.02 0.0502 0.5106 2062742 Enamine_004429 NC(=O)COC(=O)c1ccccc1OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J08 compound treatment 0.408 0.0136 0.5 0.41 0.0146 0.95 1.0222 0.9553 2062743 Enamine_004430 COc1cccc(NC(=O)COC(=O)CC2(CC3CC4CC(C3)C2)C4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J09 compound treatment 0.399 0.00459 0.17 0.398 0.00263 0.17 0.2394 1.0 2062744 Enamine_004431 O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J10 compound treatment 0.409 0.0146 0.54 0.408 0.0126 0.82 0.9566 0.9791 1263254 Enamine_004432 OC(=O)c1coc2c(F)c(F)c(F)cc2c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J11 compound treatment 0.395 5.94E-4 0.02 0.398 0.00263 0.17 0.1355 0.7914 2062745 Enamine_004433 O=C(COC(=O)/C=C/c1cccs1)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J12 compound treatment 0.398 0.00359 0.13 0.396 6.25E-4 0.04 0.1219 0.8833 2062746 Enamine_004434 Fc1cccc(Cl)c1C(=O)OCc2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J13 compound treatment 0.397 0.00259 0.1 0.385 -0.0104 -0.67 -0.4074 -0.6008 1615997 Enamine_004435 CC(C)C(=O)OCC(=O)Nc1ccc(I)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J14 compound treatment 0.398 0.00359 0.13 0.391 -0.00437 -0.28 -0.1069 -0.3422 1457603 Enamine_004436 COc1ccccc1c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J15 compound treatment 0.393 -0.00141 -0.05 0.396 6.25E-4 0.04 -0.0079 -0.1207 2062747 Enamine_004437 CN1CCCC(C1)OC(=O)c2cccc(C)c2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J16 compound treatment 0.416 0.0216 0.79 0.404 0.00863 0.56 0.9554 0.9852 2062748 Enamine_004438 Cc1ccc(C)n1CCN2CCN(CC2)C(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J17 compound treatment 0.397 0.00259 0.1 0.402 0.00663 0.43 0.3705 0.8436 2062749 Enamine_004439 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)Nc4cccc(C#N)c4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J18 compound treatment 0.457 0.0626 2.3 0.442 0.0466 3.02 3.7588 0.991 2062750 Enamine_004440 Clc1ccc(CC(=O)c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J19 compound treatment 0.405 0.0106 0.39 0.402 0.00663 0.43 0.5782 0.9988 2062751 Enamine_004441 NC(=O)COC(=O)C1(CC2CC3CC(Br)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J20 compound treatment 0.398 0.00359 0.13 0.4 0.00463 0.3 0.3049 0.9323 2062752 Enamine_004442 CN(C1CCCCC1)C(=O)COC(=O)c2cc(C)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J21 compound treatment 0.399 0.00459 0.17 0.401 0.00563 0.36 0.3767 0.9389 1677211 Enamine_004443 Ic1ccc(NC(=O)COC(=O)C2CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J22 compound treatment 0.393 -0.00141 -0.05 0.394 -0.00137 -0.09 -0.0994 -0.9665 2062753 Enamine_004444 O=S(=O)(CCc1ccccc1)/N=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J23 mock treatment 0.392 -0.00241 -0.09 0.391 -0.00437 -0.28 -0.2627 -0.8857 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 J24 mock treatment 0.391 -0.00341 -0.13 0.396 6.25E-4 0.04 -0.0598 -0.4553 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K01 compound treatment 0.399 0.00459 0.17 0.403 0.00763 0.49 0.4682 0.8978 2062754 Enamine_004445 Fc1ccccc1N(CCC#N)C(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K02 compound treatment 0.402 0.00759 0.28 0.408 0.0126 0.82 0.7749 0.8976 1194591 Enamine_004446 CN(C(=O)COc1ncnc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K03 compound treatment 0.383 -0.0114 -0.42 0.384 -0.0114 -0.74 -0.8167 -0.9643 2062755 Enamine_004447 Brc1ccc2[nH]cc(/C=N/c3ccc4OCOc4c3)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K04 compound treatment 0.402 0.00759 0.28 0.404 0.00863 0.56 0.5918 0.9486 2062756 Enamine_004448 CN(C)C(=O)COc1ncnc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K05 compound treatment 0.474 0.0796 2.92 0.455 0.0596 3.86 4.7951 0.9906 2062757 Enamine_004449 CCC(C)n1c(N)c(C#N)c2nc3ccccc3nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K06 compound treatment 0.426 0.0316 1.16 0.427 0.0316 2.05 2.2675 0.9639 2062758 Enamine_004450 O=C(CSc1ncnc2ccccc12)NC(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K07 compound treatment 0.406 0.0116 0.43 0.387 -0.00837 -0.54 -0.0822 -0.1192 2062759 Enamine_004451 O=C(NC1=NCCS1)c2cc3CCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K08 compound treatment 0.416 0.0216 0.79 0.408 0.0126 0.82 1.1384 0.9999 2062760 Enamine_004452 CC1CCCC(NC(=O)c2ccc(C#N)cc2)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K09 compound treatment 0.406 0.0116 0.43 0.404 0.00863 0.56 0.6957 0.9911 1666228 Enamine_004453 Nc1ccc(cc1)C(=O)OCC(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K10 compound treatment 0.411 0.0166 0.61 0.409 0.0136 0.88 1.0543 0.9837 2062761 Enamine_004454 O=C(NC1=NCCS1)C(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K11 compound treatment 0.402 0.00759 0.28 0.398 0.00263 0.17 0.3173 0.9717 2062762 Enamine_004455 Clc1ccccc1SCC(=O)NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K12 compound treatment 0.402 0.00759 0.28 0.404 0.00863 0.56 0.5918 0.9486 2062763 Enamine_004456 CC1CC(C)CN(C1)C(=O)CSc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K13 compound treatment 0.405 0.0106 0.39 0.388 -0.00737 -0.48 -0.0624 -0.1013 2062764 Enamine_004457 Fc1cc(Cl)c(cc1F)C(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K14 compound treatment 0.407 0.0126 0.46 0.404 0.00863 0.56 0.7217 0.9956 2062765 Enamine_004458 OC(=O)CCc1nc2ccccc2n(CCc3ccccc3)c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K15 compound treatment 0.4 0.00559 0.21 0.4 0.00463 0.3 0.3569 0.9831 2062766 Enamine_004459 CC(C)c1ccc(/N=C/2\NCC(C)S2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K16 compound treatment 0.415 0.0206 0.76 0.4 0.00463 0.3 0.7464 0.9177 2062767 Enamine_004460 CN(C)c1cccc(c1)C(=O)OCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K17 compound treatment 0.401 0.00659 0.24 0.4 0.00463 0.3 0.3828 0.9945 2062768 Enamine_004461 Cc1ccc(CNCc2ccc(Br)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K18 compound treatment 0.408 0.0136 0.5 0.406 0.0106 0.69 0.8392 0.9876 1350378 Enamine_004462 NC(=O)COC(=O)c1cncc(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K19 compound treatment 0.399 0.00459 0.17 0.394 -0.00137 -0.09 0.0564 0.2955 2062769 Enamine_004463 OC(=O)CCCSc1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K20 compound treatment 0.404 0.00959 0.35 0.396 6.25E-4 0.04 0.2777 0.7831 1250931 Enamine_004464 Clc1ccc(CNC(=O)COC(=O)c2cccnc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K21 compound treatment 0.389 -0.00541 -0.2 0.393 -0.00237 -0.15 -0.2491 -0.992 2062770 Enamine_004465 CC(C)CNC(=O)CSc1nnc2cc(C)c3ccccc3n12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K22 compound treatment 0.427 0.0326 1.2 0.429 0.0336 2.18 2.385 0.9604 2062771 Enamine_004466 Clc1ccc(CNC(=O)COC(=O)C2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K23 mock treatment 0.392 -0.00241 -0.09 0.391 -0.00437 -0.28 -0.2627 -0.8857 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 K24 mock treatment 0.4 0.00559 0.21 0.396 6.25E-4 0.04 0.1738 0.8304 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L01 compound treatment 0.411 0.0166 0.61 0.406 0.0106 0.69 0.9171 0.9982 2062772 Enamine_004467 CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L02 compound treatment 0.407 0.0126 0.46 0.404 0.00863 0.56 0.7217 0.9956 2062773 Enamine_004468 O=C(NCCSc1nc2ccccc2o1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L03 compound treatment 0.413 0.0186 0.68 0.404 0.00863 0.56 0.8775 0.995 2062774 Enamine_004469 Cc1ccsc1C(=O)OCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L04 compound treatment 0.403 0.00859 0.32 0.4 0.00463 0.3 0.4348 0.9996 1549723 Enamine_004470 Fc1ccc(cc1)C(=O)CCC(=O)OCc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L05 compound treatment 0.412 0.0176 0.65 0.411 0.0156 1.01 1.1718 0.9766 2062775 Enamine_004471 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L06 compound treatment 0.406 0.0116 0.43 0.402 0.00663 0.43 0.6042 1.0 1438759 Enamine_004472 CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc3ccccc3)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L07 compound treatment 0.411 0.0166 0.61 0.402 0.00663 0.43 0.734 0.9852 1501862 Enamine_004473 NC(=O)COC(=O)C1c2ccccc2Oc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L08 compound treatment 0.4 0.00559 0.21 0.401 0.00563 0.36 0.4026 0.9633 1790204 Enamine_004474 CCc1nc2ccccc2c(C(=O)OCC(=O)N)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L09 compound treatment 0.412 0.0176 0.65 0.423 0.0276 1.79 1.7209 0.9053 1207259 Enamine_004475 Clc1cccc(Cl)c1CC(=O)OCC(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L10 compound treatment 0.403 0.00859 0.32 0.404 0.00863 0.56 0.6178 0.9636 1169332 Enamine_004476 OC(=O)c1ccc(cc1)n2cnc3ccccc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L11 compound treatment 0.411 0.0166 0.61 0.41 0.0146 0.95 1.1001 0.9773 1713167 Enamine_004477 CC(OC(=O)C1CC1)C(=O)Nc2ccc(NC(=O)C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L12 compound treatment 0.404 0.00959 0.35 0.4 0.00463 0.3 0.4607 0.9967 2062776 Enamine_004478 BrC1(CC2CC3C1)CC(CC(=O)NCC=C)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L13 compound treatment 0.46 0.0656 2.41 0.46 0.0646 4.18 4.6604 0.9657 2062777 Enamine_004479 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)Nc2ccc(F)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L14 compound treatment 0.398 0.00359 0.13 0.386 -0.00937 -0.61 -0.3357 -0.5406 1538302 Enamine_004480 CCCCc1ccc2nc(N)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L15 compound treatment 0.407 0.0126 0.46 0.404 0.00863 0.56 0.7217 0.9956 2062778 Enamine_004481 CCC1CCCCN1C(=O)CSc2nc(C)cc(C)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L16 compound treatment 0.446 0.0516 1.89 0.431 0.0356 2.31 2.9698 0.9953 2062779 Enamine_004482 Cc1cc2nc(cc(c3cccs3)n2n1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L17 compound treatment 0.428 0.0336 1.23 0.423 0.0276 1.79 2.1364 0.9836 2062780 Enamine_004483 CC(C)(C)C(=O)CSc1nncc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L18 compound treatment 0.404 0.00959 0.35 0.4 0.00463 0.3 0.4607 0.9967 2062781 Enamine_004484 Cc1cc(nn1Cc2ccc(cc2)C(=O)O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L19 compound treatment 0.583 0.189 6.93 0.543 0.148 9.55 11.6521 0.9875 2062782 Enamine_004485 CC(C)(C)C(=O)COC(=O)c1cc(nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L20 compound treatment 0.416 0.0216 0.79 0.413 0.0176 1.14 1.3672 0.9842 1438111 Enamine_004486 Fc1ccccc1C(=O)OCC(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L21 compound treatment 0.405 0.0106 0.39 0.4 0.00463 0.3 0.4867 0.9916 2062783 Enamine_004487 Cc1cc(C)cc(OCC(=O)OCC(=O)NC2CC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L22 compound treatment 0.394 -4.06E-4 -0.01 0.394 -0.00137 -0.09 -0.0735 -0.8143 2062784 Enamine_004488 FC(F)(F)c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L23 mock treatment 0.401 0.00659 0.24 0.4 0.00463 0.3 0.3828 0.9945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 L24 mock treatment 0.397 0.00259 0.1 0.4 0.00463 0.3 0.279 0.8882 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M01 compound treatment 0.399 0.00459 0.17 0.396 6.25E-4 0.04 0.1479 0.8525 2062785 Enamine_004489 Brc1ccccc1C(=O)OCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M02 compound treatment 0.402 0.00759 0.28 0.407 0.0116 0.75 0.7291 0.9088 2062786 Enamine_004490 CC(=O)Nc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M03 compound treatment 0.394 -4.06E-4 -0.01 0.394 -0.00137 -0.09 -0.0735 -0.8143 1490564 Enamine_004491 CC1Cc2ccccc2N1C(=O)COC(=O)Cn3c(C)nc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M04 compound treatment 0.408 0.0136 0.5 0.406 0.0106 0.69 0.8392 0.9876 2062787 Enamine_004492 CC(CCc1ccccc1)NC(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M05 compound treatment 0.406 0.0116 0.43 0.404 0.00863 0.56 0.6957 0.9911 2062788 Enamine_004493 Clc1ccc(cc1)S(=O)(=O)NCCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M06 compound treatment 0.432 0.0376 1.38 0.431 0.0356 2.31 2.6063 0.9699 2062789 Enamine_004494 NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M07 compound treatment 0.397 0.00259 0.1 0.398 0.00263 0.17 0.1875 0.9626 2062790 Enamine_004495 Fc1ccccc1N(CCC#N)C(=O)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M08 compound treatment 0.413 0.0186 0.68 0.413 0.0176 1.14 1.2893 0.9699 2062791 Enamine_004496 Clc1ccc(s1)C(=O)CSc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M09 compound treatment 0.38 -0.0144 -0.53 0.382 -0.0134 -0.87 -0.9861 -0.9721 2062792 Enamine_004497 Cc1ccc(cc1)c2cn3cccc(C)c3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M10 compound treatment 0.399 0.00459 0.17 0.401 0.00563 0.36 0.3767 0.9389 2062793 Enamine_004498 CC1CCCC(NC(=O)CSc2ncnc3ccccc23)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M11 compound treatment 0.424 0.0296 1.09 0.421 0.0256 1.66 1.941 0.979 2062794 Enamine_004499 Clc1ccccc1SCC(=O)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M12 compound treatment 0.43 0.0356 1.31 0.443 0.0476 3.08 3.1035 0.9271 2062795 Enamine_004500 CCc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M13 compound treatment 0.404 0.00959 0.35 0.394 -0.00137 -0.09 0.1862 0.5124 2062796 Enamine_004501 O=C(COc1ccc(C#N)cc1)Nc2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M14 compound treatment 0.407 0.0126 0.46 0.401 0.00563 0.36 0.5844 0.993 2062797 Enamine_004502 CC(O)CNC(=O)c1sc2ccccc2c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M15 compound treatment 0.401 0.00659 0.24 0.403 0.00763 0.49 0.5201 0.9463 2062798 Enamine_004503 OC(=O)COc1ccc(Nc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M16 compound treatment 0.407 0.0126 0.46 0.398 0.00263 0.17 0.4471 0.9075 2062799 Enamine_004504 CC1CCN(CC1)C(=O)COC(=O)c2ccc(cc2)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M17 compound treatment 0.363 -0.0314 -1.15 0.365 -0.0304 -1.97 -2.2054 -0.9677 1540129 Enamine_004505 Oc1cc(c2ccc(Br)cc2)c3oc(=O)sc3c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M18 compound treatment 0.412 0.0176 0.65 0.405 0.00963 0.62 0.8973 0.9998 2062800 Enamine_004506 CC(CCc1ccccc1)NC(=O)CSc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M19 compound treatment 0.401 0.00659 0.24 0.404 0.00863 0.56 0.5659 0.9301 2062801 Enamine_004507 COc1ccc(/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M20 compound treatment 0.406 0.0116 0.43 0.397 0.00163 0.11 0.3754 0.856 2062802 Enamine_004508 CN(C1CCCCC1)C(=O)COC(=O)c2ccc(NC(=O)C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M21 compound treatment 0.393 -0.00141 -0.05 0.394 -0.00137 -0.09 -0.0994 -0.9665 2062803 Enamine_004509 CNC(=O)CSc1nnc(c2ccccc2F)n1CCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M22 compound treatment 0.394 -4.06E-4 -0.01 0.393 -0.00237 -0.15 -0.1192 -0.7721 2062804 Enamine_004510 CC(C)N(C(=O)CSc1ncnc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M23 mock treatment 0.393 -0.00141 -0.05 0.394 -0.00137 -0.09 -0.0994 -0.9665 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 M24 mock treatment 0.395 5.94E-4 0.02 0.394 -0.00137 -0.09 -0.0475 -0.5185 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N01 compound treatment 0.409 0.0146 0.54 0.397 0.00163 0.11 0.4533 0.83 1374445 Enamine_004511 CN(C(=O)COC(=O)c1cc(C)oc1C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N02 compound treatment 0.395 5.94E-4 0.02 0.401 0.00563 0.36 0.2728 0.7481 2062805 Enamine_004512 O=C(NCc1nc2ccccc2n1Cc3ccccc3)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N03 compound treatment 0.398 0.00359 0.13 0.403 0.00763 0.49 0.4422 0.8658 1279790 Enamine_004513 CCC1CCCCN1C(=O)COc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N04 compound treatment 0.392 -0.00241 -0.09 0.393 -0.00237 -0.15 -0.1712 -0.9655 2062806 Enamine_004514 [O-][n+]1ccccc1SCC(=O)N(CCc2ccccc2)Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N05 compound treatment 0.412 0.0176 0.65 0.4 0.00463 0.3 0.6685 0.9388 2062807 Enamine_004515 Clc1ccc(CC(=O)OCC(=O)NC2CCCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N06 compound treatment 0.407 0.0126 0.46 0.403 0.00763 0.49 0.6759 0.9995 2062808 Enamine_004516 Cc1cccc(c1)C(=O)NCC(=O)OCc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N07 compound treatment 0.399 0.00459 0.17 0.394 -0.00137 -0.09 0.0564 0.2955 1312278 Enamine_004517 Cc1cc(C(=O)OCC(=O)N)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N08 compound treatment 0.407 0.0126 0.46 0.4 0.00463 0.3 0.5386 0.9778 1039105 Enamine_004518 Cc1ccc(C)n1CCN2CCNCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N09 compound treatment 0.396 0.00159 0.06 0.395 -3.75E-4 -0.02 0.0242 0.3824 2062809 Enamine_004519 NC(=O)COC(=O)c1ccccc1Oc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N10 compound treatment 0.399 0.00459 0.17 0.398 0.00263 0.17 0.2394 1.0 2062810 Enamine_004520 FC(F)(F)c1cccc(OCc2nnc3CCCCCn23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N11 compound treatment 0.399 0.00459 0.17 0.402 0.00663 0.43 0.4224 0.9169 2062811 Enamine_004521 CC1CC(C)CN(C1)C(=O)COC(=O)Cc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N12 compound treatment 0.402 0.00759 0.28 0.396 6.25E-4 0.04 0.2258 0.8013 2062812 Enamine_004522 O=C(COc1ccccc1)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N13 compound treatment 0.401 0.00659 0.24 0.394 -0.00137 -0.09 0.1083 0.4198 2062813 Enamine_004523 CC(OC(=O)c1c(F)cccc1F)C(=O)Nc2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N14 compound treatment 0.402 0.00759 0.28 0.396 6.25E-4 0.04 0.2258 0.8013 2062814 Enamine_004524 CCc1ccc(cc1)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N15 compound treatment 0.403 0.00859 0.32 0.395 -3.75E-4 -0.02 0.206 0.6508 2062815 Enamine_004525 COC(=O)C1(CC2CC3(C)CC(C)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N16 compound treatment 0.328 -0.0664 -2.44 0.318 -0.0774 -5.01 -5.2649 -0.9453 2062816 Enamine_004526 Cc1nc2ccccn2c1C3(O)C(=O)Nc4c3cc(Cl)cc4Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N17 compound treatment 0.403 0.00859 0.32 0.405 0.00963 0.62 0.6636 0.9504 2062817 Enamine_004527 CCOC(=O)C1CCN(CC1)C(=O)CSC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N18 compound treatment 0.412 0.0176 0.65 0.404 0.00863 0.56 0.8515 0.9973 2062818 Enamine_004528 CC(=O)Nc1c(O)nn2c(C)cc(C)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N19 compound treatment 0.429 0.0346 1.27 0.417 0.0216 1.4 1.8878 0.9988 2062819 Enamine_004529 CSc1ncccc1C(=O)OCc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N20 compound treatment 0.404 0.00959 0.35 0.396 6.25E-4 0.04 0.2777 0.7831 2062820 Enamine_004530 OC(=O)C1CCCN1C(=O)C2(CC3CC4C2)CC(C3)CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N21 compound treatment 0.468 0.0736 2.7 0.476 0.0806 5.22 5.6002 0.9531 1719025 Enamine_004531 O=C(COc1ncnc2ccccc12)NC(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N22 compound treatment 0.389 -0.00541 -0.2 0.388 -0.00737 -0.48 -0.4778 -0.9245 2062821 Enamine_004532 COC(=O)c1ccc(NC(=O)C2(CC3CC4CC(Cl)(C3)C2)C4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N23 mock treatment 0.396 0.00159 0.06 0.398 0.00263 0.17 0.1615 0.8989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 N24 mock treatment 0.394 -4.06E-4 -0.01 0.395 -3.75E-4 -0.02 -0.0277 -0.9727 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O01 compound treatment 0.393 -0.00141 -0.05 0.396 6.25E-4 0.04 -0.0079 -0.1207 2062822 Enamine_004533 O=C(CC1CCCC1)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O02 compound treatment 0.391 -0.00341 -0.13 0.387 -0.00837 -0.54 -0.4717 -0.848 2062823 Enamine_004534 [O-][n+]1ccccc1SCC(=O)c2ccc3Cc4ccccc4-c3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O03 compound treatment 0.417 0.0226 0.83 0.421 0.0256 1.66 1.7592 0.9488 2062824 Enamine_004535 Cc1ccc(NC(=O)C(OC(=O)c2ccccn2)c3ccccc3)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O04 compound treatment 0.4 0.00559 0.21 0.401 0.00563 0.36 0.4026 0.9633 2062825 Enamine_004536 O=C(COc1ncnc2ccccc12)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O05 compound treatment 0.402 0.00759 0.28 0.403 0.00763 0.49 0.5461 0.9635 2062826 Enamine_004537 CC(C)N(C(=O)Cn1c(nc2ccccc12)c3ccco3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O06 compound treatment 0.405 0.0106 0.39 0.406 0.0106 0.69 0.7613 0.9636 2062827 Enamine_004538 CCC1CCCCN1C(=O)COC(=O)c2ccc(NC(=O)C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O07 compound treatment 0.402 0.00759 0.28 0.396 6.25E-4 0.04 0.2258 0.8013 2062828 Enamine_004539 CN1CCCN(CC1)C(=O)COc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O08 compound treatment 0.402 0.00759 0.28 0.407 0.0116 0.75 0.7291 0.9088 2062829 Enamine_004540 OCCn1c(CC(NC(=O)c2ccccc2)c3ccccc3)nc4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O09 compound treatment 0.4 0.00559 0.21 0.395 -3.75E-4 -0.02 0.1281 0.6193 2062830 Enamine_004541 Cc1cccc(N2CCN(CC2)C(=O)COc3ccc(C#N)cc3)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O10 compound treatment 0.422 0.0276 1.01 0.407 0.0116 0.75 1.2484 0.9892 2062831 Enamine_004542 CCc1ccc(NC(=O)C(C)Sc2ncnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O11 compound treatment 0.438 0.0436 1.6 0.437 0.0416 2.69 3.0367 0.9691 2062832 Enamine_004543 CC1CCCC(NC(=O)CSc2ccccc2Cl)C1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O12 compound treatment 0.453 0.0586 2.15 0.454 0.0586 3.79 4.204 0.9639 1141242 Enamine_004544 Nc1sc2CCCCc2c1c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O13 compound treatment 0.409 0.0146 0.54 0.395 -3.75E-4 -0.02 0.3618 0.6744 2062833 Enamine_004545 O=C(CCCC(=O)OC1CCCC1)OC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O14 compound treatment 0.401 0.00659 0.24 0.402 0.00663 0.43 0.4744 0.9634 1249787 Enamine_004546 CC(C)C(NC(=O)c1ccccc1F)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O15 compound treatment 0.4 0.00559 0.21 0.398 0.00263 0.17 0.2654 0.9955 2062834 Enamine_004547 Cc1n[nH]c2nc(cc(c12)C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O16 compound treatment 0.417 0.0226 0.83 0.401 0.00563 0.36 0.8441 0.9316 1601682 Enamine_004548 CN(Cc1ccccc1)C(=O)COC(=O)c2ccc(I)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O17 compound treatment 0.4 0.00559 0.21 0.399 0.00363 0.23 0.3111 0.9978 1558188 Enamine_004549 CCCn1c(N)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O18 compound treatment 0.415 0.0206 0.76 0.412 0.0166 1.08 1.2955 0.9851 2062835 Enamine_004550 CCc1ccc(NC(=O)C(C)OC(=O)c2c(F)cccc2F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O19 compound treatment 0.395 5.94E-4 0.02 0.389 -0.00637 -0.41 -0.2763 -0.6688 2062836 Enamine_004551 O=C(NCc1nc2ccccc2c(=O)[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O20 compound treatment 0.399 0.00459 0.17 0.395 -3.75E-4 -0.02 0.1021 0.5992 1581853 Enamine_004552 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N2CC3(C)CC2CC(C)(C)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O21 compound treatment 0.39 -0.00441 -0.16 0.398 0.00263 0.17 0.0057 0.0243 2062837 Enamine_004553 Clc1ccc(CSC2=NCCCN2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O22 compound treatment 0.409 0.0146 0.54 0.405 0.00963 0.62 0.8194 0.9972 2062838 Enamine_004554 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)N(C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O23 mock treatment 0.392 -0.00241 -0.09 0.395 -3.75E-4 -0.02 -0.0796 -0.8691 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 O24 mock treatment 0.387 -0.00741 -0.27 0.389 -0.00637 -0.41 -0.484 -0.9796 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P01 compound treatment 0.374 -0.0204 -0.75 0.398 0.00263 0.17 -0.4098 -0.5333 1682317 Enamine_004555 CC1CC(C)CN(C1)C(=O)COC(=O)c2cccc(C)c2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P02 compound treatment 0.395 5.94E-4 0.02 0.388 -0.00737 -0.48 -0.322 -0.6741 1598888 Enamine_004556 Oc1ccccc1OCC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P03 compound treatment 0.415 0.0206 0.76 0.405 0.00963 0.62 0.9752 0.9954 2062839 Enamine_004557 CN(C)c1cccc(c1)C(=O)OCC(=O)N(C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P04 compound treatment 0.397 0.00259 0.1 0.4 0.00463 0.3 0.279 0.8882 1582529 Enamine_004558 Cc1ccc(s1)C(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P05 compound treatment 0.408 0.0136 0.5 0.407 0.0116 0.75 0.8849 0.9802 2062840 Enamine_004559 CCCCc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P06 compound treatment 0.4 0.00559 0.21 0.402 0.00663 0.43 0.4484 0.9432 1346416 Enamine_004560 CCC(C)(C)C1CCc2nc3ccccc3c(C(=O)OCC(=O)N)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P07 compound treatment 0.403 0.00859 0.32 0.403 0.00763 0.49 0.5721 0.9767 1386093 Enamine_004561 Cc1c(nc2ccccc2c1C(=O)OCC(=O)N)c3cccc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P08 compound treatment 0.405 0.0106 0.39 0.4 0.00463 0.3 0.4867 0.9916 2062841 Enamine_004562 Fc1cc(C(=O)OCC2CCCO2)c(F)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P09 compound treatment 0.411 0.0166 0.61 0.414 0.0186 1.21 1.2831 0.9501 2062842 Enamine_004563 FC(F)(F)C(=O)Nc1ncnc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P10 compound treatment 0.402 0.00759 0.28 0.4 0.00463 0.3 0.4088 0.9994 2062843 Enamine_004564 COc1cc(/C=C/C(=O)NC(C)C2CC3CCC2C3)cc(OC)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P11 compound treatment 0.394 -4.06E-4 -0.01 0.406 0.0106 0.69 0.4756 0.6916 2062844 Enamine_004565 COc1ccccc1NC(=O)COC(=O)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P12 compound treatment 0.399 0.00459 0.17 0.397 0.00163 0.11 0.1936 0.9741 2062845 Enamine_004566 O=C(COc1ccccc1)N(C2CCCCC2)c3nccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P13 compound treatment 0.4 0.00559 0.21 0.408 0.0126 0.82 0.7229 0.8582 1477587 Enamine_004567 NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P14 compound treatment 0.399 0.00459 0.17 0.399 0.00363 0.23 0.2852 0.9869 1176142 Enamine_004568 NC(=O)Cc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P15 compound treatment 0.439 0.0446 1.64 0.432 0.0366 2.37 2.8338 0.9837 2062846 Enamine_004569 Brc1ccccc1C(=O)CSC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P16 compound treatment 0.407 0.0126 0.46 0.4 0.00463 0.3 0.5386 0.9778 2062847 Enamine_004570 COc1ccc(cc1)C(=O)CNc2cccc(Cl)c2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P17 compound treatment 0.407 0.0126 0.46 0.408 0.0126 0.82 0.9047 0.9637 2062848 Enamine_004571 CC(=O)Oc1cccc2CC(C)(C)Oc21 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P18 compound treatment 0.402 0.00759 0.28 0.385 -0.0104 -0.67 -0.2776 -0.3818 1497880 Enamine_004572 COc1ccccc1C(=O)OCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P19 compound treatment 0.403 0.00859 0.32 0.401 0.00563 0.36 0.4805 0.9975 2062849 Enamine_004573 COc1ccc(cc1)C(=O)OCC(=O)N(C)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P20 compound treatment 0.4 0.00559 0.21 0.396 6.25E-4 0.04 0.1738 0.8304 2062850 Enamine_004574 COc1ccc(CC(=O)N=c2sc3cc(Cl)ccc3n2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P21 compound treatment 0.396 0.00159 0.06 0.397 0.00163 0.11 0.1157 0.9617 2062851 Enamine_004575 COc1cccc(NC(=O)COC(=O)C2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P22 compound treatment 0.395 5.94E-4 0.02 0.392 -0.00337 -0.22 -0.139 -0.6334 2062852 Enamine_004576 CC(C)(C)C1CCC(CC1)OC(=O)c2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P23 mock treatment 0.395 5.94E-4 0.02 0.395 -3.75E-4 -0.02 -0.0017 -0.0534 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1406 P24 mock treatment 0.385 -0.00941 -0.35 0.399 0.00363 0.23 -0.0784 -0.1877 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A01 compound treatment 0.368 -0.0257 -0.94 0.371 -0.0243 -1.57 -1.7758 -0.9702 2062853 Enamine_004577 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A02 compound treatment 0.385 -0.00866 -0.32 0.379 -0.0163 -1.05 -0.9683 -0.8815 2062854 Enamine_004578 Clc1ccccc1COC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A03 compound treatment 0.37 -0.0237 -0.87 0.388 -0.00725 -0.47 -0.946 -0.9582 2062855 Enamine_004579 ClCc1csc(Nc2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A04 compound treatment 0.39 -0.00366 -0.13 0.393 -0.00225 -0.15 -0.1979 -0.9992 2062856 Enamine_004580 CC(C)C(=O)Nc1nnc(s1)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A05 compound treatment 0.391 -0.00266 -0.1 0.393 -0.00225 -0.15 -0.1719 -0.981 1241788 Enamine_004581 Cc1cc(C)n(n1)C(=O)CCCC(=O)n2nc(C)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A06 compound treatment 0.398 0.00434 0.16 0.389 -0.00625 -0.4 -0.1732 -0.3984 2062857 Enamine_004582 O=C(NC1=NCCS1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A07 compound treatment 0.406 0.0123 0.45 0.409 0.0138 0.89 0.9497 0.951 2062858 Enamine_004583 CN1/C(=C/C(=O)CSC2CCCC2)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A08 compound treatment 0.391 -0.00266 -0.1 0.394 -0.00125 -0.08 -0.1262 -0.9957 2062859 Enamine_004584 C1CC1c2nnc3CCCCCn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A09 compound treatment 0.4 0.00634 0.23 0.395 -2.5E-4 -0.02 0.1533 0.6564 2062860 Enamine_004585 Fc1ccc2c(Cl)c(sc2c1)C(=O)N3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A10 compound treatment 0.398 0.00434 0.16 0.391 -0.00425 -0.28 -0.0817 -0.2569 1345220 Enamine_004586 CCC1CCCCN1C(=O)COC(=O)c2ccc(O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A11 compound treatment 0.435 0.0413 1.52 0.432 0.0367 2.38 2.7552 0.9765 1712564 Enamine_004587 Brc1ccc(OCC(=O)OCC(=O)NC2CCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A12 compound treatment 0.416 0.0223 0.82 0.413 0.0177 1.15 1.3924 0.9864 2062861 Enamine_004588 Cn1ccnc1C(=O)c2cc(nc3ccccc23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A13 compound treatment 0.398 0.00434 0.16 0.399 0.00375 0.24 0.2844 0.9793 2062862 Enamine_004589 FC(F)(F)c1cnc(NC(=O)COC(=O)C2CCCCC2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A14 compound treatment 0.398 0.00434 0.16 0.388 -0.00725 -0.47 -0.219 -0.4419 2062863 Enamine_004590 CC1CCCN(C1)C(=O)COC(=O)/C=C/c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A15 compound treatment 0.386 -0.00766 -0.28 0.386 -0.00925 -0.6 -0.6221 -0.9406 1542799 Enamine_004591 CC1(CC2CC(C)(C)C1)CN2C(=O)COC(=O)c3ccc(Cl)c(N)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A16 compound treatment 0.397 0.00334 0.12 0.391 -0.00425 -0.28 -0.1076 -0.3574 2062864 Enamine_004592 CCOC(=O)c1cc(nn1CCC#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A17 compound treatment 0.445 0.0513 1.89 0.443 0.0478 3.09 3.5182 0.9719 2062865 Enamine_004593 Fc1cccc(NC(=O)COC(=O)c2cc(nn2c3ccccc3)c4ccccc4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A18 compound treatment 0.396 0.00234 0.09 0.395 -2.5E-4 -0.02 0.0494 0.5643 2062866 Enamine_004594 O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A19 compound treatment 0.393 -6.56E-4 -0.02 0.39 -0.00525 -0.34 -0.2573 -0.7554 2062867 Enamine_004595 CCc1cccc(CC)c1NC(=O)COC(=O)c2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A20 compound treatment 0.391 -0.00266 -0.1 0.393 -0.00225 -0.15 -0.1719 -0.981 2062868 Enamine_004596 Clc1ccc(Sc2ncccn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A21 compound treatment 0.393 -6.56E-4 -0.02 0.385 -0.0103 -0.66 -0.4861 -0.7323 2062869 Enamine_004597 COc1cccc(OCC(=O)N2CCCc3ccccc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A22 compound treatment 0.393 -6.56E-4 -0.02 0.39 -0.00525 -0.34 -0.2573 -0.7554 2062870 Enamine_004598 CCN(C(=O)CSc1ncccn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A23 mock treatment 0.394 3.44E-4 0.01 0.391 -0.00425 -0.28 -0.1855 -0.6739 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 A24 mock treatment 0.371 -0.0227 -0.83 0.369 -0.0262 -1.7 -1.7895 -0.9461 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B01 compound treatment 0.4 0.00634 0.23 0.405 0.00975 0.63 0.6109 0.9083 2062871 Enamine_004599 Brc1cccc(c1)C2(C#N)C(=O)Nc3ccccc32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B02 compound treatment 0.418 0.0243 0.89 0.423 0.0278 1.8 1.9019 0.9481 2062872 Enamine_004600 ClCc1nc2scc(c3ccccc3)c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B03 compound treatment 0.408 0.0143 0.53 0.408 0.0127 0.83 0.9559 0.9765 2062873 Enamine_004601 CC(C)C(=O)/N=C\1/N(Cc2ccccc12)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B04 compound treatment 0.426 0.0323 1.19 0.433 0.0377 2.44 2.5672 0.9451 2062874 Enamine_004602 Cc1ccc(Cl)cc1NC(=O)COC(=O)c2n[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B05 compound treatment 0.414 0.0203 0.75 0.412 0.0168 1.08 1.2947 0.9835 2062875 Enamine_004603 Cc1cc(C)n(CCc2nc(cs2)c3cccs3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B06 compound treatment 0.423 0.0293 1.08 0.434 0.0388 2.51 2.5351 0.9288 2062876 Enamine_004604 CC1CCN(CC1)S(=O)(=O)c2ccc(F)c(F)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B07 compound treatment 0.403 0.00934 0.34 0.414 0.0187 1.21 1.1006 0.8728 1238662 Enamine_004605 Brc1cc(Br)c2cccnc2c1OCC(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B08 compound treatment 0.43 0.0363 1.33 0.43 0.0348 2.25 2.5338 0.969 2062877 Enamine_004606 CCCCc1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B09 compound treatment 0.41 0.0163 0.6 0.413 0.0177 1.15 1.2366 0.9542 2062878 Enamine_004607 CC(=O)N(C1CCCCC1)c2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B10 compound treatment 0.403 0.00934 0.34 0.404 0.00875 0.57 0.643 0.9712 2062879 Enamine_004608 COCc1cn2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B11 compound treatment 0.411 0.0173 0.64 0.411 0.0158 1.02 1.171 0.9744 2062880 Enamine_004609 CC(C)(C)c1ccc(OCc2ccc(cc2)c3nnco3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B12 compound treatment 0.406 0.0123 0.45 0.41 0.0147 0.95 0.9955 0.9421 2062881 Enamine_004610 COC(=O)c1ccc(cc1)n2c(C)ccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B13 compound treatment 0.407 0.0133 0.49 0.417 0.0217 1.41 1.3417 0.9003 2062882 Enamine_004611 O=C(OCc1ccccc1)C2=COCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B14 compound treatment 0.426 0.0323 1.19 0.426 0.0308 1.99 2.2469 0.9696 2062883 Enamine_004612 COc1ccc(cc1)C(=O)CNc2ccccc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B15 compound treatment 0.482 0.0883 3.24 0.461 0.0658 4.25 5.3026 0.991 1357475 Enamine_004613 Clc1ccc(CC(=O)OCC(=O)c2cc3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B16 compound treatment 0.414 0.0203 0.75 0.417 0.0217 1.41 1.5235 0.9561 2062884 Enamine_004614 O=C(NC1CCCc2ccccc12)/C=C/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B17 compound treatment 0.411 0.0173 0.64 0.415 0.0198 1.28 1.3541 0.9483 2062885 Enamine_004615 O=C(Cc1nc2ccccc2n1C(=O)c3ccccc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B18 compound treatment 0.399 0.00534 0.2 0.402 0.00675 0.44 0.4476 0.9348 2062886 Enamine_004616 Cc1noc2NC3=C(C(c12)c4ccccc4)C(=O)CC(C)(C)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B19 compound treatment 0.404 0.0103 0.38 0.401 0.00575 0.37 0.5317 0.9999 1037860 Enamine_004617 C(c1nc2ccccc2[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B20 compound treatment 0.449 0.0553 2.03 0.446 0.0508 3.28 3.7593 0.9734 2062887 Enamine_004618 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)c2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B21 compound treatment 0.436 0.0423 1.55 0.433 0.0377 2.44 2.8269 0.9762 2062888 Enamine_004619 C=CCNC(=O)C1C(=O)Nc2nc3ccccc3nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B22 compound treatment 0.395 0.00134 0.05 0.397 0.00175 0.11 0.115 0.9307 2062889 Enamine_004620 CC1(C)C2CCC1(CS(=O)(=O)NC3CCCC3)C(=O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B23 mock treatment 0.4 0.00634 0.23 0.406 0.0107 0.7 0.6566 0.895 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 B24 mock treatment 0.391 -0.00266 -0.1 0.399 0.00375 0.24 0.1026 0.3924 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C01 compound treatment 0.377 -0.0167 -0.61 0.375 -0.0203 -1.31 -1.3591 -0.9398 2062890 Enamine_004621 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C02 compound treatment 0.389 -0.00466 -0.17 0.397 0.00175 0.11 -0.0408 -0.1991 2062891 Enamine_004622 Clc1nc2ccccc2nc1C(C#N)C(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C03 compound treatment 0.38 -0.0137 -0.5 0.382 -0.0133 -0.86 -0.9609 -0.9674 2062892 Enamine_004623 OC(=O)COc1cccc(c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C04 compound treatment 0.384 -0.00966 -0.35 0.389 -0.00625 -0.4 -0.5367 -0.9979 2062893 Enamine_004624 Cc1cc(C(=O)OCC(=O)N2CCCC2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C05 compound treatment 0.378 -0.0157 -0.57 0.384 -0.0113 -0.73 -0.9213 -0.9932 1790199 Enamine_004625 Cc1cc(C(=O)OCC(=O)N)c2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C06 compound treatment 0.381 -0.0127 -0.46 0.383 -0.0123 -0.79 -0.8892 -0.9676 2062894 Enamine_004626 Brc1cccc(/C=C/C(=O)N2CCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C07 compound treatment 0.653 0.259 9.52 0.369 -0.0262 -1.7 5.5331 0.572 2062895 Enamine_004627 c1nn(c2ccccc2)c3ncn4cnnc4c13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C08 compound treatment 0.394 3.44E-4 0.01 0.396 7.5E-4 0.05 0.0432 0.8623 2062896 Enamine_004628 CC(NC(=O)CSc1ccccc1C(=O)O)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C09 compound treatment 0.398 0.00434 0.16 0.412 0.0168 1.08 0.8792 0.8025 1196381 Enamine_004629 O=C(COc1ncnc2ccccc12)N(Cc3ccccc3)Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C10 compound treatment 0.384 -0.00966 -0.35 0.381 -0.0143 -0.92 -0.9028 -0.9138 1497034 Enamine_004630 CC1CCCC(C)N1C(=O)COC(=O)c2ccc(O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C11 compound treatment 0.382 -0.0117 -0.43 0.379 -0.0163 -1.05 -1.0462 -0.9215 2062897 Enamine_004631 CC(O)c1nc2ccccc2n1CC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C12 compound treatment 0.387 -0.00666 -0.24 0.388 -0.00725 -0.47 -0.5046 -0.9538 2062898 Enamine_004632 Cc1ccc(cc1)c2cc(C(=O)c3nccn3C)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C13 compound treatment 0.38 -0.0137 -0.5 0.386 -0.00925 -0.6 -0.7779 -0.9961 1218641 Enamine_004633 O=C(COc1ncnc2ccccc12)NC3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C14 compound treatment 0.38 -0.0137 -0.5 0.378 -0.0173 -1.12 -1.1439 -0.9348 2062899 Enamine_004634 CC1(C)CSC(=N1)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C15 compound treatment 0.392 -0.00166 -0.06 0.386 -0.00925 -0.6 -0.4663 -0.775 2062900 Enamine_004635 CC(OC(=O)c1cc(C)nc2ccccc12)C(=O)Nc3cccc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C16 compound treatment 0.383 -0.0107 -0.39 0.382 -0.0133 -0.86 -0.883 -0.9369 2062901 Enamine_004636 NC(=O)/C=C\c1cn(nc1c2ccc3OCCOc3c2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C17 compound treatment 0.425 0.0313 1.15 0.421 0.0257 1.67 1.9922 0.9837 2062902 Enamine_004637 Cc1ccc(cc1)C(=O)NCC(=O)OCc2ccc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C18 compound treatment 0.42 0.0263 0.97 0.415 0.0198 1.28 1.5878 0.9906 1306222 Enamine_004638 NC(=O)c1ccccc1NC(=O)COC(=O)CC2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C19 compound treatment 0.379 -0.0147 -0.54 0.382 -0.0133 -0.86 -0.9869 -0.9748 2062903 Enamine_004639 Fc1ccc(cc1F)S(=O)(=O)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C20 compound treatment 0.484 0.0903 3.32 0.452 0.0568 3.67 4.9427 0.9987 1719350 Enamine_004640 Cc1ccsc1C(=O)OCC(=O)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C21 compound treatment 0.381 -0.0127 -0.46 0.378 -0.0173 -1.12 -1.118 -0.9246 2062904 Enamine_004641 O=C(COc1ccc(C#N)cc1)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C22 compound treatment 0.378 -0.0157 -0.57 0.376 -0.0193 -1.25 -1.2874 -0.9383 2062905 Enamine_004642 O=C(COc1ccc2ccc(=O)oc2c1)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C23 mock treatment 0.384 -0.00966 -0.35 0.378 -0.0173 -1.12 -1.0401 -0.888 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 C24 mock treatment 0.379 -0.0147 -0.54 0.385 -0.0103 -0.66 -0.8496 -0.9946 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D01 compound treatment 0.397 0.00334 0.12 0.398 0.00275 0.18 0.2127 0.9836 2062906 Enamine_004643 Clc1ccccc1C2(C#N)C(=O)Nc3ccccc32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D02 compound treatment 0.402 0.00834 0.31 0.399 0.00375 0.24 0.3883 0.9933 2062907 Enamine_004644 COC(=O)c1ccc(OCC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D03 compound treatment 0.396 0.00234 0.09 0.41 0.0147 0.95 0.7358 0.7678 2062908 Enamine_004645 O=C(/N=C\1/N(Cc2ccccc12)c3ccc(C#N)cc3)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D04 compound treatment 0.407 0.0133 0.49 0.395 -2.5E-4 -0.02 0.3351 0.6834 2062909 Enamine_004646 O=C(COC(=O)C1(CC2CC3CC(C2)C1)C3)Nc4ccccc4C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D05 compound treatment 0.412 0.0183 0.67 0.403 0.00775 0.5 0.8309 0.9894 2062910 Enamine_004647 Cc1nn(CCc2nc(cs2)C(C)(C)C)c3[nH]c(=O)cc(c13)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D06 compound treatment 0.444 0.0503 1.85 0.442 0.0468 3.03 3.4464 0.9721 2062911 Enamine_004648 Fc1ccc(cc1F)S(=O)(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D07 compound treatment 0.421 0.0273 1.0 0.431 0.0357 2.31 2.3459 0.9302 2062912 Enamine_004649 Cc1cc(NC(=O)Cc2cccc(c2)C(F)(F)F)n(n1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D08 compound treatment 0.452 0.0583 2.14 0.448 0.0527 3.41 3.9287 0.9748 2062913 Enamine_004650 Cc1ccc(cc1)c2csc(n2)n3sc4ccccc4c3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D09 compound treatment 0.399 0.00534 0.2 0.402 0.00675 0.44 0.4476 0.9348 2062914 Enamine_004651 COc1ccc(cc1)C(=O)OCC(=O)N2CC(C)CC(C)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D10 compound treatment 0.403 0.00934 0.34 0.391 -0.00425 -0.28 0.0482 0.1095 2062915 Enamine_004652 COC(=O)c1ccc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D11 compound treatment 0.441 0.0473 1.74 0.437 0.0418 2.7 3.1397 0.9773 2062916 Enamine_004653 Clc1ccccc1c2cc(c3nnco3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D12 compound treatment 0.42 0.0263 0.97 0.419 0.0238 1.54 1.7708 0.9751 2062917 Enamine_004654 CCc1ccc(cc1)n2c(C)ccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D13 compound treatment 0.392 -0.00166 -0.06 0.406 0.0107 0.7 0.4489 0.6428 1708790 Enamine_004655 O=C(CSc1nc2ccccc2n1c3ccccc3)NCC4CCCO4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D14 compound treatment 0.415 0.0213 0.78 0.41 0.0147 0.95 1.2292 0.9952 2062918 Enamine_004656 CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D15 compound treatment 0.444 0.0503 1.85 0.441 0.0457 2.96 3.4007 0.9743 2062919 Enamine_004657 Brc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D16 compound treatment 0.447 0.0533 1.96 0.438 0.0428 2.77 3.3413 0.9857 2062920 Enamine_004658 Clc1cccc(Oc2ncnc3sccc23)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D17 compound treatment 0.459 0.0653 2.4 0.484 0.0887 5.74 5.7578 0.925 2062921 Enamine_004659 O=C(/C=C\c1cn(nc1c2cccs2)c3ccccc3)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D18 compound treatment 0.408 0.0143 0.53 0.405 0.00975 0.63 0.8186 0.996 2062922 Enamine_004660 CN1C(=O)C(O)(c2c(C)nn(c2N)c3ccc(Cl)cc3)c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D19 compound treatment 0.406 0.0123 0.45 0.411 0.0158 1.02 1.0412 0.9334 1473430 Enamine_004661 Nc1c(C(=O)NCC=C)c2nc3ccccc3nc2n1c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D20 compound treatment 0.439 0.0453 1.67 0.443 0.0478 3.09 3.3624 0.9579 2062923 Enamine_004662 O=c1[nH]c(nc2sc3CCCc3c12)c4ccsc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D21 compound treatment 0.4 0.00634 0.23 0.393 -0.00225 -0.15 0.0618 0.2248 2062924 Enamine_004663 C[n+]1cn(CC(=O)Nc2ccccc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D22 compound treatment 0.39 -0.00366 -0.13 0.396 7.5E-4 0.05 -0.0606 -0.4246 2062925 Enamine_004664 CC(C)c1cccc(C(C)C)c1OCCCN2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D23 mock treatment 0.397 0.00334 0.12 0.392 -0.00325 -0.21 -0.0619 -0.2541 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 D24 mock treatment 0.395 0.00134 0.05 0.395 -2.5E-4 -0.02 0.0235 0.4516 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E01 compound treatment 0.394 3.44E-4 0.01 0.404 0.00875 0.57 0.4093 0.7227 2062926 Enamine_004665 COc1cccc(NC(=O)COC(=O)c2ccccc2F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E02 compound treatment 0.455 0.0613 2.25 0.459 0.0638 4.13 4.51 0.9595 1617245 Enamine_004666 Nc1c(C(=O)NCC=C)c2nc3ccccc3nc2n1Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E03 compound treatment 0.405 0.0113 0.42 0.406 0.0107 0.7 0.7865 0.9699 1134250 Enamine_004667 Nc1nnc(Cc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E04 compound treatment 0.415 0.0213 0.78 0.42 0.0248 1.6 1.6867 0.9459 2062927 Enamine_004668 O=C(N1CCCCCC1)/C(=C/c2cccs2)/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E05 compound treatment 0.457 0.0633 2.33 0.444 0.0488 3.15 3.8755 0.9888 2062928 Enamine_004669 Brc1cccc(c1)C(=O)COC(=O)CCc2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E06 compound treatment 0.398 0.00434 0.16 0.397 0.00175 0.11 0.1929 0.9859 2062929 Enamine_004670 Clc1ncccc1C(=O)Oc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E07 compound treatment 0.569 0.175 6.44 0.581 0.186 12.02 13.0526 0.9572 2062930 Enamine_004671 Clc1ccc(C(=O)CSc2nncc3ccccc23)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E08 compound treatment 0.408 0.0143 0.53 0.413 0.0177 1.15 1.1847 0.9375 2062931 Enamine_004672 CCN(Cc1ccccc1)C(=O)CSc2ccccc2C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E09 compound treatment 0.399 0.00534 0.2 0.405 0.00975 0.63 0.5849 0.8852 2062932 Enamine_004673 Cc1cc(C)cc(OCC(=O)OCC(=O)NC2(CC3CC4CC(C3)C2)C4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E10 compound treatment 0.407 0.0133 0.49 0.405 0.00975 0.63 0.7926 0.9922 2062933 Enamine_004674 CN(Cc1ccccc1)C(=O)COC(=O)c2ccc(Cl)c(N)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E11 compound treatment 0.4 0.00634 0.23 0.391 -0.00425 -0.28 -0.0297 -0.0825 2062934 Enamine_004675 CC1CN(CC(C)O1)C(=O)C2CCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E12 compound treatment 0.404 0.0103 0.38 0.406 0.0107 0.7 0.7605 0.9595 2062935 Enamine_004676 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)N4CCCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E13 compound treatment 0.414 0.0203 0.75 0.423 0.0278 1.8 1.798 0.9245 1580471 Enamine_004677 OC1=C(C(N(CCCn2ccnc2)C1=O)c3ccc(Cl)cc3)C(=O)c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E14 compound treatment 0.399 0.00534 0.2 0.396 7.5E-4 0.05 0.1731 0.8562 1146256 Enamine_004678 O=S(=O)(N1CCNCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E15 compound treatment 0.4 0.00634 0.23 0.403 0.00775 0.5 0.5193 0.9392 2062936 Enamine_004679 NC(=O)COC(=O)c1ccc(Cl)cc1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E16 compound treatment 0.414 0.0203 0.75 0.403 0.00775 0.5 0.8829 0.9812 2062937 Enamine_004680 COc1ccc(cc1OC)c2nn(cc2CC#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E17 compound treatment 0.41 0.0163 0.6 0.406 0.0107 0.7 0.9163 0.9973 1482224 Enamine_004681 O=C1CCCCC1Sc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E18 compound treatment 0.413 0.0193 0.71 0.416 0.0208 1.34 1.4518 0.9557 1538088 Enamine_004682 Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E19 compound treatment 0.4 0.00634 0.23 0.398 0.00275 0.18 0.2906 0.9912 2062938 Enamine_004683 Fc1ccc(cc1F)S(=O)(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E20 compound treatment 0.426 0.0323 1.19 0.417 0.0217 1.41 1.8351 0.9964 2062939 Enamine_004684 CN(Cc1ccccc1)C(=O)COC(=O)c2ccc(Cl)cc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E21 compound treatment 0.404 0.0103 0.38 0.402 0.00675 0.44 0.5775 0.9976 2062940 Enamine_004685 O/C(=C\SC1=NCCN1)/C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E22 compound treatment 0.412 0.0183 0.67 0.419 0.0238 1.54 1.5631 0.9315 2062941 Enamine_004686 CC(C)c1ccccc1NC(=O)COc2ccc3ccc(=O)oc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E23 mock treatment 0.395 0.00134 0.05 0.395 -2.5E-4 -0.02 0.0235 0.4516 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 E24 mock treatment 0.395 0.00134 0.05 0.402 0.00675 0.44 0.3438 0.782 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F01 compound treatment 0.411 0.0173 0.64 0.41 0.0147 0.95 1.1253 0.9807 2062942 Enamine_004687 COc1ccccc1C2(C#N)C(=O)Nc3ccccc32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F02 compound treatment 0.402 0.00834 0.31 0.407 0.0118 0.76 0.7543 0.9201 2062943 Enamine_004688 Clc1ccc(COC(=O)C2CCC2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F03 compound treatment 0.403 0.00934 0.34 0.403 0.00775 0.5 0.5972 0.9829 2062944 Enamine_004689 CC(=O)/N=C\1/N(Cc2ccccc12)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F04 compound treatment 0.407 0.0133 0.49 0.404 0.00875 0.57 0.7469 0.9974 1190198 Enamine_004690 O=C(COC(=O)c1n[nH]c2ccccc12)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F05 compound treatment 0.443 0.0493 1.81 0.446 0.0508 3.28 3.6035 0.9607 2062945 Enamine_004691 Clc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F06 compound treatment 0.404 0.0103 0.38 0.409 0.0138 0.89 0.8978 0.9279 1876401 Enamine_004692 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(F)c(F)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F07 compound treatment 0.441 0.0473 1.74 0.445 0.0498 3.22 3.5058 0.9582 1142910 Enamine_004693 Clc1ccc2oc(SCC(=O)NC3CCCC3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F08 compound treatment 0.408 0.0143 0.53 0.414 0.0187 1.21 1.2304 0.9302 1527065 Enamine_004694 CC1CN(CC(C)O1)C(=O)COC(=O)c2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F09 compound treatment 0.409 0.0153 0.56 0.4 0.00475 0.31 0.6158 0.9594 1614774 Enamine_004695 O=C(COC(=O)C1CCC(=O)N1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F10 compound treatment 0.417 0.0233 0.86 0.422 0.0267 1.73 1.8302 0.9475 2062946 Enamine_004696 CCOC(=O)c1c(C)n(c(C)c1C#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F11 compound treatment 0.409 0.0153 0.56 0.401 0.00575 0.37 0.6615 0.9797 2062947 Enamine_004697 Cc1nc2ccccn2c1c3nnco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F12 compound treatment 0.407 0.0133 0.49 0.407 0.0118 0.76 0.8841 0.9774 1628194 Enamine_004698 Cn1c(NCCO)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F13 compound treatment 0.454 0.0603 2.22 0.451 0.0558 3.61 4.1179 0.9726 1209060 Enamine_004699 Cc1nc2ccccc2n1CC(=O)OCC(=O)c3cccc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F14 compound treatment 0.432 0.0383 1.41 0.423 0.0278 1.8 2.2654 0.9928 2062948 Enamine_004700 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F15 compound treatment 0.411 0.0173 0.64 0.405 0.00975 0.63 0.8965 1.0 2062949 Enamine_004701 O=C(OCc1ccc(C#N)cc1)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F16 compound treatment 0.449 0.0553 2.03 0.437 0.0418 2.7 3.3475 0.9902 2062950 Enamine_004702 Fc1ccc(Oc2ncnc3sccc23)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F17 compound treatment 0.427 0.0333 1.22 0.423 0.0278 1.8 2.1356 0.9826 2062951 Enamine_004703 OC(=O)c1cc(nn1c2ccccc2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F18 compound treatment 0.451 0.0573 2.11 0.441 0.0457 2.96 3.5824 0.9861 2062952 Enamine_004704 FC(F)(F)c1ccccc1C(=O)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F19 compound treatment 0.441 0.0473 1.74 0.442 0.0468 3.03 3.3685 0.9654 2062953 Enamine_004705 O=C(NCc1nc2ccccc2n1Cc3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F20 compound treatment 0.412 0.0183 0.67 0.415 0.0198 1.28 1.38 0.9552 2062954 Enamine_004706 Cc1cc(C(=O)OCc2ccccc2)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F21 compound treatment 0.415 0.0213 0.78 0.415 0.0198 1.28 1.4579 0.9724 2062955 Enamine_004707 CCOC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)n3ccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F22 compound treatment 0.429 0.0353 1.3 0.424 0.0288 1.86 2.2333 0.9845 2062956 Enamine_004708 Clc1cccc(Cl)c1OCCCn2ccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F23 mock treatment 0.4 0.00634 0.23 0.405 0.00975 0.63 0.6109 0.9083 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 F24 mock treatment 0.409 0.0153 0.56 0.404 0.00875 0.57 0.7988 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G01 compound treatment 0.391 -0.00266 -0.1 0.394 -0.00125 -0.08 -0.1262 -0.9957 2062957 Enamine_004709 CC1CCN(CC1)C(=O)COC(=O)c2cc(C)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G02 compound treatment 0.399 0.00534 0.2 0.4 0.00475 0.31 0.3561 0.9765 2062958 Enamine_004710 Cn1ccnc1C(=O)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G03 compound treatment 0.393 -6.56E-4 -0.02 0.392 -0.00325 -0.21 -0.1658 -0.783 1022120 Enamine_004711 OC(=O)COc1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G04 compound treatment 0.395 0.00134 0.05 0.402 0.00675 0.44 0.3438 0.782 2062959 Enamine_004712 Brc1cccc(OC(=O)C2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G05 compound treatment 0.393 -6.56E-4 -0.02 0.409 0.0138 0.89 0.6121 0.6877 2062960 Enamine_004713 CC(OC(=O)c1ccc(O)cc1)C(=O)Nc2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G06 compound treatment 0.401 0.00734 0.27 0.398 0.00275 0.18 0.3165 0.9796 2062961 Enamine_004714 CC(NC(=O)COc1ccc(C#N)cc1)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G07 compound treatment 0.398 0.00434 0.16 0.401 0.00575 0.37 0.3759 0.9285 2062962 Enamine_004715 COc1ccccc1C(=O)CSc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G08 compound treatment 0.407 0.0133 0.49 0.417 0.0217 1.41 1.3417 0.9003 2062963 Enamine_004716 OC(=O)c1ccccc1SCC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G09 compound treatment 0.391 -0.00266 -0.1 0.398 0.00275 0.18 0.0569 0.2802 2062964 Enamine_004717 CN(Cc1ccccc1)C(=O)COC(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G10 compound treatment 0.405 0.0113 0.42 0.398 0.00275 0.18 0.4204 0.928 1350345 Enamine_004718 Clc1cc(cnc1Cl)C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G11 compound treatment 0.396 0.00234 0.09 0.399 0.00375 0.24 0.2325 0.9028 2062965 Enamine_004719 CC(C)CCSc1nnc2nc(C)cc(C)n12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G12 compound treatment 0.402 0.00834 0.31 0.401 0.00575 0.37 0.4798 0.9953 2062966 Enamine_004720 CN(CC(O)COc1ccc2oc3ccccc3c2c1)C4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G13 compound treatment 0.402 0.00834 0.31 0.405 0.00975 0.63 0.6628 0.945 2062967 Enamine_004721 Nc1nc(c(NC(=O)c2ccccc2Cl)s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G14 compound treatment 0.881 0.487 17.9 0.817 0.422 27.29 31.9531 0.9791 2062968 Enamine_004722 CN1C/C(=C\c2ccc(O)cc2)/C(=O)\C(=C\c3ccc(O)cc3)\C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G15 compound treatment 0.388 -0.00566 -0.21 0.384 -0.0113 -0.73 -0.6617 -0.874 2062969 Enamine_004723 CC(Sc1ncnc2ccccc12)C(=O)Nc3cccc(c3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G16 compound treatment 0.389 -0.00466 -0.17 0.385 -0.0103 -0.66 -0.5899 -0.8612 2062970 Enamine_004724 CN(C)C(=O)/C=C\c1cn(nc1c2ccc3OCCOc3c2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G17 compound treatment 0.407 0.0133 0.49 0.409 0.0138 0.89 0.9757 0.9605 2062971 Enamine_004725 Cc1ccc(C)c(NC(=O)COC(=O)c2ccc[n+]([O-])c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G18 compound treatment 0.406 0.0123 0.45 0.403 0.00775 0.5 0.6751 0.9987 1444760 Enamine_004726 Oc1ccc(cc1)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G19 compound treatment 0.389 -0.00466 -0.17 0.397 0.00175 0.11 -0.0408 -0.1991 2062972 Enamine_004727 Fc1ccc(cc1F)S(=O)(=O)NCCc2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G20 compound treatment 0.437 0.0433 1.59 0.438 0.0428 2.77 3.0816 0.9655 2062973 Enamine_004728 Fc1ccc(/C=C/C(=O)OCC(=O)Nc2ncc(cc2Cl)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G21 compound treatment 0.403 0.00934 0.34 0.406 0.0107 0.7 0.7345 0.947 2062974 Enamine_004729 CC(C)N(C)c1ncnc2sc3CCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G22 compound treatment 0.39 -0.00366 -0.13 0.387 -0.00825 -0.53 -0.4724 -0.8582 1160528 Enamine_004730 CC(O)c1nc2ccccc2n1Cc3ccc(Cl)cc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G23 mock treatment 0.39 -0.00366 -0.13 0.391 -0.00425 -0.28 -0.2894 -0.9456 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 G24 mock treatment 0.393 -6.56E-4 -0.02 0.4 0.00475 0.31 0.2003 0.6497 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H01 compound treatment 0.422 0.0283 1.04 0.42 0.0248 1.6 1.8685 0.9782 2062975 Enamine_004731 Cc1ccc(c(C)c1)C2(C#N)C(=O)Nc3ccccc32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H02 compound treatment 0.406 0.0123 0.45 0.399 0.00375 0.24 0.4921 0.9571 2062976 Enamine_004732 CCC(C)c1ccccc1NC(=O)CNc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H03 compound treatment 0.425 0.0313 1.15 0.422 0.0267 1.73 2.0379 0.9803 2062977 Enamine_004733 CC(=O)/N=C\1/N(Cc2ccccc12)c3cc(Cl)cc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H04 compound treatment 0.408 0.0143 0.53 0.406 0.0107 0.7 0.8644 0.9906 2062978 Enamine_004734 Brc1cccc(Oc2ncnc3sccc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H05 compound treatment 0.479 0.0853 3.13 0.475 0.0798 5.16 5.8653 0.9714 2062979 Enamine_004735 Cn1c(=NC(=O)Cc2cccs2)sc3cc(F)ccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H06 compound treatment 0.396 0.00234 0.09 0.393 -0.00225 -0.15 -0.0421 -0.2489 1535834 Enamine_004736 CN(C1CCCCC1)S(=O)(=O)c2ccc(F)c(F)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H07 compound treatment 0.436 0.0423 1.55 0.432 0.0367 2.38 2.7811 0.9788 2062980 Enamine_004737 Cc1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H08 compound treatment 0.4 0.00634 0.23 0.401 0.00575 0.37 0.4278 0.9746 2062981 Enamine_004738 CC1CN(CC(C)O1)C(=O)COC(=O)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H09 compound treatment 0.399 0.00534 0.2 0.4 0.00475 0.31 0.3561 0.9765 1252230 Enamine_004739 Nc1nc(COc2ccccc2)cs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H10 compound treatment 0.407 0.0133 0.49 0.4 0.00475 0.31 0.5638 0.9748 1644545 Enamine_004740 O=C1OCCC1Sc2nc3ccccc3n2c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H11 compound treatment 0.402 0.00834 0.31 0.401 0.00575 0.37 0.4798 0.9953 2062982 Enamine_004741 OC(COCc1ccco1)CN2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H12 compound treatment 0.41 0.0163 0.6 0.405 0.00975 0.63 0.8705 0.9997 2062983 Enamine_004742 CC1S/C(=C/c2nc3ccccc3s2)/NC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H13 compound treatment 0.397 0.00334 0.12 0.401 0.00575 0.37 0.3499 0.8931 1711533 Enamine_004743 CCC1CCCCN1C(=O)COC(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H14 compound treatment 0.403 0.00934 0.34 0.403 0.00775 0.5 0.5972 0.9829 2062984 Enamine_004744 CC(C)c1ccccc1NC(=O)COC(=O)c2ccc(N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H15 compound treatment 0.402 0.00834 0.31 0.41 0.0147 0.95 0.8916 0.8894 2062985 Enamine_004745 COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H16 compound treatment 0.398 0.00434 0.16 0.394 -0.00125 -0.08 0.0556 0.3108 2062986 Enamine_004746 CC1(CC2CC(C)(C)C1)CN2S(=O)(=O)c3ccc(F)cc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H17 compound treatment 0.409 0.0153 0.56 0.411 0.0158 1.02 1.1191 0.961 1177099 Enamine_004747 CC(N)C1(CC2CC3CC(O)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H18 compound treatment 0.411 0.0173 0.64 0.408 0.0127 0.83 1.0338 0.9918 2062987 Enamine_004748 Cc1cnc(cn1)C(=O)Nc2ccc(cc2)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H19 compound treatment 0.399 0.00534 0.2 0.402 0.00675 0.44 0.4476 0.9348 2062988 Enamine_004749 COC(=O)C1COc2ccccc2O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H20 compound treatment 0.395 0.00134 0.05 0.394 -0.00125 -0.08 -0.0223 -0.2354 1356519 Enamine_004750 CCC1CCCCN1C(=O)COC(=O)c2cncc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H21 compound treatment 0.401 0.00734 0.27 0.399 0.00375 0.24 0.3623 0.9986 2062989 Enamine_004751 CCOC(=O)c1cc(nn1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H22 compound treatment 0.36 -0.0337 -1.24 0.367 -0.0283 -1.83 -2.1666 -0.9818 2062990 Enamine_004752 Cc1ccc(c2cc([nH]n2)c3cccs3)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H23 mock treatment 0.401 0.00734 0.27 0.396 7.5E-4 0.05 0.225 0.8212 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 H24 mock treatment 0.393 -6.56E-4 -0.02 0.405 0.00975 0.63 0.4291 0.6796 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I01 compound treatment 0.389 -0.00466 -0.17 0.391 -0.00425 -0.28 -0.3154 -0.9739 2062991 Enamine_004753 Cc1nc2ccccc2n1CC(=O)Nc3cccc(Br)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I02 compound treatment 0.439 0.0453 1.67 0.424 0.0288 1.86 2.493 0.9985 2062992 Enamine_004754 Cc1[nH]c2ccccc2c1C(=O)CSc3ncnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I03 compound treatment 0.403 0.00934 0.34 0.405 0.00975 0.63 0.6888 0.959 2062993 Enamine_004755 OC(=O)CCc1nc2ccccc2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I04 compound treatment 0.396 0.00234 0.09 0.402 0.00675 0.44 0.3697 0.8305 2062994 Enamine_004756 CCOc1ccccc1C(=O)OCCN2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I05 compound treatment 0.414 0.0203 0.75 0.41 0.0147 0.95 1.2032 0.9927 2062995 Enamine_004757 Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)NCc3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I06 compound treatment 0.411 0.0173 0.64 0.405 0.00975 0.63 0.8965 1.0 2062996 Enamine_004758 NC(=O)C1CCN(CC1)C(=O)COc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I07 compound treatment 0.405 0.0113 0.42 0.401 0.00575 0.37 0.5577 0.9984 2062997 Enamine_004759 CC(C)N(C(=O)CSc1ccccn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I08 compound treatment 0.441 0.0473 1.74 0.449 0.0537 3.48 3.6888 0.9486 2062998 Enamine_004760 Cc1cc(SCC(=O)Nc2ncc(Cl)cc2Cl)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I09 compound treatment 0.4 0.00634 0.23 0.41 0.0147 0.95 0.8397 0.8546 1697440 Enamine_004761 Fc1ccccc1OCC(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I10 compound treatment 0.407 0.0133 0.49 0.407 0.0118 0.76 0.8841 0.9774 1648328 Enamine_004762 CN(Cc1ccccc1)C(=O)COC(=O)c2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I11 compound treatment 0.404 0.0103 0.38 0.4 0.00475 0.31 0.4859 0.9945 2062999 Enamine_004763 Cc1ccc(C)c(OC(=O)c2cccnc2Cl)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I12 compound treatment 0.409 0.0153 0.56 0.41 0.0147 0.95 1.0734 0.9684 2063000 Enamine_004764 CN(Cc1ccccc1)C(=O)CSc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I13 compound treatment 0.419 0.0253 0.93 0.413 0.0177 1.15 1.4703 0.9946 2063001 Enamine_004765 Cc1c(oc2ccccc12)C(=O)NCCCn3ccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I14 compound treatment 0.406 0.0123 0.45 0.406 0.0107 0.7 0.8124 0.9785 2063002 Enamine_004766 FC(F)(F)c1cccc(NC2=NCCCS2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I15 compound treatment 0.403 0.00934 0.34 0.393 -0.00225 -0.15 0.1397 0.3747 2063003 Enamine_004767 CCC1CCCCN1C(=O)CSc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I16 compound treatment 0.461 0.0673 2.47 0.451 0.0558 3.61 4.2997 0.983 2063004 Enamine_004768 COc1ccc(cc1)C(=O)CNc2ccccc2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I17 compound treatment 0.415 0.0213 0.78 0.422 0.0267 1.73 1.7783 0.9358 2063005 Enamine_004769 CCSc1ncnc2sc3CCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I18 compound treatment 0.426 0.0323 1.19 0.42 0.0248 1.6 1.9724 0.9892 1446978 Enamine_004770 Nc1cc(Cl)ccc1C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I19 compound treatment 0.355 -0.0387 -1.42 0.342 -0.0532 -3.45 -3.4404 -0.9231 1595167 Enamine_004771 Cc1ccn2cc(nc2c1)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I20 compound treatment 0.405 0.0113 0.42 0.404 0.00875 0.57 0.6949 0.9886 1153536 Enamine_004772 CN(C(=O)COC(=O)c1ccc(C)s1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I21 compound treatment 0.494 0.1 3.68 0.516 0.121 7.81 8.1309 0.9412 2063006 Enamine_004773 CC1Cc2ccccc2N1C(=O)/C=C/c3cccc(Br)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I22 compound treatment 0.442 0.0483 1.78 0.451 0.0558 3.61 3.8063 0.9467 2063007 Enamine_004774 Clc1cccc(Cl)c1C(=O)Oc2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I23 mock treatment 0.398 0.00434 0.16 0.402 0.00675 0.44 0.4217 0.9068 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 I24 mock treatment 0.397 0.00334 0.12 0.404 0.00875 0.57 0.4872 0.8409 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J01 compound treatment 0.399 0.00534 0.2 0.394 -0.00125 -0.08 0.0816 0.3843 1465842 Enamine_004775 Cc1ccccc1Cn2c(CCCO)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J02 compound treatment 0.394 3.44E-4 0.01 0.386 -0.00925 -0.6 -0.4143 -0.692 1790190 Enamine_004776 COc1ccc(cc1)c2cn3cc(Br)ccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J03 compound treatment 0.394 3.44E-4 0.01 0.399 0.00375 0.24 0.1805 0.7429 2063008 Enamine_004777 CC1(C)C2CCC1(CS(=O)(=O)NCC=C)C(=O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J04 compound treatment 0.417 0.0233 0.86 0.409 0.0138 0.89 1.2353 0.9998 2063009 Enamine_004778 Cc1csc(NC(=O)c2cc[n+]([O-])cc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J05 compound treatment 0.395 0.00134 0.05 0.397 0.00175 0.11 0.115 0.9307 2063010 Enamine_004779 O=C1CSC(N1Cc2cn3ccccc3n2)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J06 compound treatment 0.405 0.0113 0.42 0.393 -0.00225 -0.15 0.1916 0.4342 2063011 Enamine_004780 Fc1ccc(cc1F)S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J07 compound treatment 0.393 -6.56E-4 -0.02 0.396 7.5E-4 0.05 0.0173 0.3189 2063012 Enamine_004781 Cc1ccc(s1)C(=O)OCc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J08 compound treatment 0.398 0.00434 0.16 0.398 0.00275 0.18 0.2386 0.9985 2063013 Enamine_004782 CC1Cc2ccccc2N1C(=O)COC(=O)c3cccc(NC(=O)C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J09 compound treatment 0.428 0.0343 1.26 0.429 0.0338 2.18 2.4361 0.9659 2063014 Enamine_004783 Clc1c(sc2ccccc12)c3nnco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J10 compound treatment 0.401 0.00734 0.27 0.394 -0.00125 -0.08 0.1335 0.4741 2063015 Enamine_004784 CC1(C)CSC(=N1)Nc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J11 compound treatment 0.378 -0.0157 -0.57 0.379 -0.0163 -1.05 -1.1501 -0.9596 2063016 Enamine_004785 CC1(C)Cc2cccc(OCc3nc4ccccc4[nH]3)c2O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J12 compound treatment 0.432 0.0383 1.41 0.432 0.0367 2.38 2.6773 0.9687 2063017 Enamine_004786 COC(=O)c1ccccc1OCC(=O)Nc2ccc(C)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J13 compound treatment 0.396 0.00234 0.09 0.389 -0.00625 -0.4 -0.2251 -0.5444 1601584 Enamine_004787 CCC1CCCCN1C(=O)COC(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J14 compound treatment 0.403 0.00934 0.34 0.396 7.5E-4 0.05 0.2769 0.7992 2063018 Enamine_004788 CC(C)c1cccc(C)c1NC(=O)COC(=O)c2ccccc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J15 compound treatment 0.446 0.0523 1.92 0.451 0.0558 3.61 3.9102 0.9566 2063019 Enamine_004789 CC(NC(=O)c1ccco1)C(=O)Nc2ccc(OCc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J16 compound treatment 0.413 0.0193 0.71 0.402 0.00675 0.44 0.8112 0.9727 2063020 Enamine_004790 Cc1csc(NC(=O)c2cccs2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J17 compound treatment 0.399 0.00534 0.2 0.405 0.00975 0.63 0.5849 0.8852 2063021 Enamine_004791 CS(=O)(=O)c1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J18 compound treatment 0.423 0.0293 1.08 0.42 0.0248 1.6 1.8945 0.9814 2063022 Enamine_004792 Clc1ccc(CNC(=O)CCC(=O)c2cccs2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J19 compound treatment 0.42 0.0263 0.97 0.423 0.0278 1.8 1.9538 0.9579 2063023 Enamine_004793 COCC(C)n1c(C)ccc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J20 compound treatment 0.421 0.0273 1.0 0.426 0.0308 1.99 2.1171 0.9498 1295650 Enamine_004794 O=C(COC(=O)c1cccnc1)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J21 compound treatment 0.422 0.0283 1.04 0.422 0.0267 1.73 1.96 0.9704 1871097 Enamine_004795 CC(=O)Nc1ccccc1OC(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J22 compound treatment 0.407 0.0133 0.49 0.418 0.0227 1.47 1.3875 0.8942 1675921 Enamine_004796 Clc1ccc2occ(C(=O)c3cccs3)c(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J23 mock treatment 0.39 -0.00366 -0.13 0.391 -0.00425 -0.28 -0.2894 -0.9456 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 J24 mock treatment 0.392 -0.00166 -0.06 0.395 -2.5E-4 -0.02 -0.0544 -0.8651 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K01 compound treatment 0.4 0.00634 0.23 0.4 0.00475 0.31 0.3821 0.9906 2063024 Enamine_004797 CC1CCN(CC1)C(=O)COC(=O)/C=C/c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K02 compound treatment 0.402 0.00834 0.31 0.412 0.0168 1.08 0.9831 0.8728 2063025 Enamine_004798 [O-][n+]1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K03 compound treatment 0.398 0.00434 0.16 0.398 0.00275 0.18 0.2386 0.9985 1028654 Enamine_004799 NS(=O)(=O)c1cc(Cl)ccc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K04 compound treatment 0.393 -6.56E-4 -0.02 0.398 0.00275 0.18 0.1088 0.6058 2063026 Enamine_004800 Oc1ccccc1c2nnc3CCCn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K05 compound treatment 0.41 0.0163 0.6 0.401 0.00575 0.37 0.6875 0.9736 2063027 Enamine_004801 O=C(CSc1nnc2ccccn12)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K06 compound treatment 0.401 0.00734 0.27 0.399 0.00375 0.24 0.3623 0.9986 1038038 Enamine_004802 Oc1ccccc1C2CCC=C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K07 compound treatment 0.4 0.00634 0.23 0.391 -0.00425 -0.28 -0.0297 -0.0825 2063028 Enamine_004803 O=C(CSc1ccccn1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K08 compound treatment 0.472 0.0783 2.88 0.433 0.0377 2.44 3.7617 0.9967 2063029 Enamine_004804 CC1=CC(=O)C(C(=O)/C=C/c2ccc(Cl)cc2)C(=O)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K09 compound treatment 0.503 0.109 4.02 0.488 0.0927 6.0 7.0833 0.9809 2063030 Enamine_004805 Clc1ncccc1C(=O)Oc2ccc3cc(Br)ccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K10 compound treatment 0.403 0.00934 0.34 0.407 0.0118 0.76 0.7803 0.9354 2063031 Enamine_004806 CC1CCCN(C1)C(=O)COC(=O)c2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K11 compound treatment 0.401 0.00734 0.27 0.402 0.00675 0.44 0.4996 0.9731 2063032 Enamine_004807 BrC1(CC2CC3C1)CC(CC(=O)OCC(=O)N4CCCC4)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K12 compound treatment 0.399 0.00534 0.2 0.405 0.00975 0.63 0.5849 0.8852 1350507 Enamine_004808 CC1CCN(CC1)C(=O)COC(=O)Cc2c(Cl)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K13 compound treatment 0.411 0.0173 0.64 0.391 -0.00425 -0.28 0.2559 0.3688 1406458 Enamine_004809 CCN(C(=O)c1oc2ccccc2c1C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K14 compound treatment 0.562 0.168 6.18 0.557 0.162 10.47 11.7727 0.9684 2063033 Enamine_004810 Cc1ccc(cc1)c2csc(/C=C\3/NC(=O)CS3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K15 compound treatment 0.393 -6.56E-4 -0.02 0.398 0.00275 0.18 0.1088 0.6058 2063034 Enamine_004811 BrC1(CC2CC3C1)CC(CC(=O)Nc4cccnc4)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K16 compound treatment 0.424 0.0303 1.11 0.416 0.0208 1.34 1.7374 0.9957 2063035 Enamine_004812 CCn1c(Cc2cccn2C)nnc1SCC(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K17 compound treatment 0.397 0.00334 0.12 0.397 0.00175 0.11 0.1669 0.9992 2063036 Enamine_004813 CC(C)c1cccc(C)c1NC(=O)CSc2ncnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K18 compound treatment 0.404 0.0103 0.38 0.4 0.00475 0.31 0.4859 0.9945 2063037 Enamine_004814 NC(=O)COC(=O)c1cc2ccccc2cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K19 compound treatment 0.413 0.0193 0.71 0.437 0.0418 2.7 2.4127 0.8637 2063038 Enamine_004815 CCOc1ccccc1NCC(=O)Nc2cc(C)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K20 compound treatment 0.399 0.00534 0.2 0.395 -2.5E-4 -0.02 0.1273 0.6466 2063039 Enamine_004816 Ic1ccccc1C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K21 compound treatment 0.391 -0.00266 -0.1 0.395 -2.5E-4 -0.02 -0.0804 -0.8133 2063040 Enamine_004817 Fc1ccc(C(=O)N2CCCC2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K22 compound treatment 0.4 0.00634 0.23 0.413 0.0177 1.15 0.9769 0.8335 2063041 Enamine_004818 CCOC(=O)c1sc(/N=C/c2cccc(Br)c2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K23 mock treatment 0.393 -6.56E-4 -0.02 0.394 -0.00125 -0.08 -0.0742 -0.8796 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 K24 mock treatment 0.4 0.00634 0.23 0.396 7.5E-4 0.05 0.199 0.8365 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L01 compound treatment 0.415 0.0213 0.78 0.406 0.0107 0.7 1.0461 0.9982 2063042 Enamine_004819 CC(C)(C)N/C=C/1\N=C(OC1=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L02 compound treatment 0.402 0.00834 0.31 0.408 0.0127 0.83 0.8001 0.909 2063043 Enamine_004820 COC(=O)c1ccc(NCC(=O)N2CCCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L03 compound treatment 0.459 0.0653 2.4 0.458 0.0628 4.06 4.5681 0.9685 2063044 Enamine_004821 O=C(OCc1ccccc1)/C=C/c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L04 compound treatment 0.402 0.00834 0.31 0.401 0.00575 0.37 0.4798 0.9953 1458888 Enamine_004822 O=C(COC(=O)c1n[nH]c2ccccc12)NC3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L05 compound treatment 0.409 0.0153 0.56 0.407 0.0118 0.76 0.9361 0.9891 2063045 Enamine_004823 CN(CC(O)COc1ccccc1c2ccccc2)C3CCN(C)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L06 compound treatment 0.437 0.0433 1.59 0.433 0.0377 2.44 2.8529 0.9785 2063046 Enamine_004824 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(F)c(F)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L07 compound treatment 0.404 0.0103 0.38 0.403 0.00775 0.5 0.6232 0.9906 2063047 Enamine_004825 O=C(COC(=O)C1CCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L08 compound treatment 0.4 0.00634 0.23 0.407 0.0118 0.76 0.7024 0.8832 2063048 Enamine_004826 COc1ccc(NC(=O)CNc2cccc3CCCCc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L09 compound treatment 0.404 0.0103 0.38 0.412 0.0168 1.08 1.035 0.9012 2063049 Enamine_004827 Cc1cc(c(C)n1c2ccccc2)c3nnco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L10 compound treatment 0.402 0.00834 0.31 0.395 -2.5E-4 -0.02 0.2052 0.6688 2063050 Enamine_004828 CCOc1ccc(CC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L11 compound treatment 0.413 0.0193 0.71 0.403 0.00775 0.5 0.8569 0.9855 1442976 Enamine_004829 COc1ccc(OCCC(=O)OCc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L12 compound treatment 0.442 0.0483 1.78 0.458 0.0628 4.06 4.1266 0.9311 2063051 Enamine_004830 COc1ccc(cc1)C(=O)CNc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L13 compound treatment 0.419 0.0253 0.93 0.421 0.0257 1.67 1.8364 0.9621 2063052 Enamine_004831 C(c1ccccc1)n2c(/C=N/n3cnnc3)nc4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L14 compound treatment 0.444 0.0503 1.85 0.437 0.0418 2.7 3.2176 0.9829 2063053 Enamine_004832 Brc1ccc(cc1)C(=O)OCC(=O)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L15 compound treatment 0.402 0.00834 0.31 0.407 0.0118 0.76 0.7543 0.9201 1138346 Enamine_004833 O=C(CNC(=O)c1ccccc1)OCc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L16 compound treatment 0.405 0.0113 0.42 0.402 0.00675 0.44 0.6034 0.9997 2063054 Enamine_004834 Nc1cc(cc2NC(=O)COc12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L17 compound treatment 0.419 0.0253 0.93 0.42 0.0248 1.6 1.7906 0.9666 1085170 Enamine_004835 OC(=O)c1cccc(OCc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L18 compound treatment 0.46 0.0663 2.44 0.463 0.0678 4.38 4.8228 0.9616 2063055 Enamine_004836 CC(C)c1ccccc1NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L19 compound treatment 0.408 0.0143 0.53 0.417 0.0217 1.41 1.3677 0.9101 2063056 Enamine_004837 Cc1ccc(C)n1CC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L20 compound treatment 0.424 0.0303 1.11 0.44 0.0447 2.9 2.8356 0.9139 2063057 Enamine_004838 Clc1ccc(COC(=O)CCc2nc3ccccc3[nH]c2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L21 compound treatment 0.416 0.0223 0.82 0.434 0.0388 2.51 2.3533 0.8919 2063058 Enamine_004839 Cc1cc(C)c2cccc(NC=C3C(=O)CC(C)(C)CC3=O)c2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L22 compound treatment 0.395 0.00134 0.05 0.403 0.00775 0.5 0.3895 0.7729 1046400 Enamine_004840 Clc1ccc2oc(cc(=O)c2c1)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L23 mock treatment 0.403 0.00934 0.34 0.399 0.00375 0.24 0.4142 0.9856 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 L24 mock treatment 0.398 0.00434 0.16 0.395 -2.5E-4 -0.02 0.1014 0.6321 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M01 compound treatment 0.425 0.0313 1.15 0.425 0.0297 1.93 2.1752 0.9698 2063059 Enamine_004841 O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M02 compound treatment 0.456 0.0623 2.29 0.449 0.0537 3.48 4.0783 0.9794 2063060 Enamine_004842 CCC(C)C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M03 compound treatment 0.449 0.0553 2.03 0.449 0.0537 3.48 3.8966 0.9673 2063061 Enamine_004843 CC(C)N1C(=O)/C(=N/c2ccc(C#N)cc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M04 compound treatment 0.478 0.0843 3.1 0.461 0.0658 4.25 5.1987 0.9878 1339294 Enamine_004844 Fc1ccccc1Nc2ncnc3sc(cc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M05 compound treatment 0.413 0.0193 0.71 0.406 0.0107 0.7 0.9942 0.9999 1496681 Enamine_004845 O=C(COC(=O)c1c2CCCc2nc3ccccc13)Nc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M06 compound treatment 0.407 0.0133 0.49 0.401 0.00575 0.37 0.6096 0.9908 2063062 Enamine_004846 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)N(CCC#N)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M07 compound treatment 0.398 0.00434 0.16 0.403 0.00775 0.5 0.4674 0.8882 2063063 Enamine_004847 Cc1ccc(cc1Br)C(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M08 compound treatment 0.458 0.0643 2.36 0.459 0.0638 4.13 4.5879 0.965 2063064 Enamine_004848 Fc1ccccc1C(=O)OCC(=O)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M09 compound treatment 0.399 0.00534 0.2 0.398 0.00275 0.18 0.2646 0.9988 2063065 Enamine_004849 Clc1ccc(NC(=O)COC(=O)C2CCC(=O)N2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M10 compound treatment 0.398 0.00434 0.16 0.4 0.00475 0.31 0.3301 0.9533 1179866 Enamine_004850 CC1CC(C)CN(C1)C(=O)COC(=O)c2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M11 compound treatment 0.396 0.00234 0.09 0.396 7.5E-4 0.05 0.0952 0.9633 2063066 Enamine_004851 CC(NC(=O)CSc1ncnc2ccccc12)C3CC4CCC3C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M12 compound treatment 0.398 0.00434 0.16 0.402 0.00675 0.44 0.4217 0.9068 1292013 Enamine_004852 CC(C)(C)C(=O)COC(=O)C1(CCCC1)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M13 compound treatment 0.421 0.0273 1.0 0.412 0.0168 1.08 1.4765 0.9993 1683647 Enamine_004853 COc1ccccc1NC(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M14 compound treatment 0.411 0.0173 0.64 0.412 0.0168 1.08 1.2168 0.9679 2063067 Enamine_004854 OC(=O)c1ccccc1NCCc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M15 compound treatment 0.406 0.0123 0.45 0.416 0.0208 1.34 1.27 0.8961 2063068 Enamine_004855 COc1ccc(CC(=O)Nc2sccc2C#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M16 compound treatment 0.428 0.0343 1.26 0.424 0.0288 1.86 2.2073 0.9821 2063069 Enamine_004856 COc1ccccc1Nc2nc3cc(Cl)ccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M17 compound treatment 0.433 0.0393 1.44 0.438 0.0428 2.77 2.9778 0.9541 1464193 Enamine_004857 Oc1ccccc1C(=O)OCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M18 compound treatment 0.398 0.00434 0.16 0.392 -0.00325 -0.21 -0.0359 -0.1361 1848156 Enamine_004858 O=C(CSC1=NCCS1)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M19 compound treatment 0.394 3.44E-4 0.01 0.4 0.00475 0.31 0.2263 0.7355 2063070 Enamine_004859 CC1CCCCN1C(=O)CSc2nnc3ccccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M20 compound treatment 0.469 0.0753 2.77 0.451 0.0558 3.61 4.5074 0.9914 2063071 Enamine_004860 C(Sc1nnc(o1)c2c[nH]c3ccccc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M21 compound treatment 0.391 -0.00266 -0.1 0.389 -0.00625 -0.4 -0.355 -0.8532 1297516 Enamine_004861 CC(=O)Nc1ccc(cc1)C(=O)COc2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M22 compound treatment 0.414 0.0203 0.75 0.422 0.0267 1.73 1.7523 0.9294 2063072 Enamine_004862 CC(C)c1ccc(cc1)C2(C#N)C(=O)Nc3ccccc32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M23 mock treatment 0.391 -0.00266 -0.1 0.395 -2.5E-4 -0.02 -0.0804 -0.8133 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 M24 mock treatment 0.397 0.00334 0.12 0.396 7.5E-4 0.05 0.1211 0.9175 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N01 compound treatment 0.405 0.0113 0.42 0.398 0.00275 0.18 0.4204 0.928 2063073 Enamine_004863 COc1cccc(/C=N/n2cnc3cc(C)c(C)cc23)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N02 compound treatment 0.393 -6.56E-4 -0.02 0.398 0.00275 0.18 0.1088 0.6058 1644841 Enamine_004864 NC(=O)COC(=O)C1(CCCC1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N03 compound treatment 0.403 0.00934 0.34 0.408 0.0127 0.83 0.826 0.9244 1651753 Enamine_004865 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N04 compound treatment 0.392 -0.00166 -0.06 0.394 -0.00125 -0.08 -0.1002 -0.9901 2063074 Enamine_004866 CC1CC1C(=O)OCc2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N05 compound treatment 0.408 0.0143 0.53 0.4 0.00475 0.31 0.5898 0.9671 2063075 Enamine_004867 Nc1nc(cs1)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N06 compound treatment 0.4 0.00634 0.23 0.393 -0.00225 -0.15 0.0618 0.2248 2063076 Enamine_004868 CC(NC(=O)c1ccc(F)cc1Cl)C(N2CCCC2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N07 compound treatment 0.462 0.0683 2.51 0.449 0.0537 3.48 4.2341 0.9872 2063077 Enamine_004869 CC1CCc2c(C1)sc3ncnc(Oc4ccccc4F)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N08 compound treatment 0.396 0.00234 0.09 0.389 -0.00625 -0.4 -0.2251 -0.5444 2063078 Enamine_004870 COc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N09 compound treatment 0.415 0.0213 0.78 0.414 0.0187 1.21 1.4122 0.9776 2063079 Enamine_004871 Cc1cc(C)n(CCc2nc(cs2)c3ccco3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N10 compound treatment 0.432 0.0383 1.41 0.427 0.0318 2.05 2.4485 0.983 2063080 Enamine_004872 Cc1ccc(C)n1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N11 compound treatment 0.404 0.0103 0.38 0.406 0.0107 0.7 0.7605 0.9595 1288692 Enamine_004873 Fc1ccc(cc1)C2(CCCC2)C(=O)OCC(=O)NCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N12 compound treatment 0.414 0.0203 0.75 0.422 0.0267 1.73 1.7523 0.9294 2063081 Enamine_004874 COc1ccc(cc1)C(=O)CNc2ccccc2CO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N13 compound treatment 0.448 0.0543 2.0 0.425 0.0297 1.93 2.7724 0.9998 1872194 Enamine_004875 Cc1ccc(Oc2cc(C#N)c3ccccc3n2)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N14 compound treatment 0.398 0.00434 0.16 0.399 0.00375 0.24 0.2844 0.9793 1465489 Enamine_004876 CN(C(=O)COC(=O)c1n[nH]c2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N15 compound treatment 0.385 -0.00866 -0.32 0.381 -0.0143 -0.92 -0.8768 -0.8989 2063082 Enamine_004877 COc1ccc2nc(SCC(=O)Nc3cc(F)ccc3F)[nH]c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N16 compound treatment 0.398 0.00434 0.16 0.398 0.00275 0.18 0.2386 0.9985 2063083 Enamine_004878 NC(=O)c1ccc(NC(=O)CC2(CC3CC4CC(Br)(C3)C2)C4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N17 compound treatment 0.432 0.0383 1.41 0.443 0.0478 3.09 3.1806 0.9367 2063084 Enamine_004879 Clc1nc2ccccc2nc1NC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N18 compound treatment 0.425 0.0313 1.15 0.422 0.0267 1.73 2.0379 0.9803 2063085 Enamine_004880 Brc1ccc(o1)C(=O)OCC(=O)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N19 compound treatment 0.397 0.00334 0.12 0.4 0.00475 0.31 0.3042 0.919 1049774 Enamine_004881 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N20 compound treatment 0.415 0.0213 0.78 0.412 0.0168 1.08 1.3207 0.9873 2063086 Enamine_004882 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N21 compound treatment 0.401 0.00734 0.27 0.404 0.00875 0.57 0.5911 0.9424 1008339 Enamine_004883 O=C(Cc1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N22 compound treatment 0.358 -0.0357 -1.31 0.367 -0.0283 -1.83 -2.2185 -0.9866 2063087 Enamine_004884 Oc1ccc(Br)cc1c2cc([nH]n2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N23 mock treatment 0.395 0.00134 0.05 0.397 0.00175 0.11 0.115 0.9307 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 N24 mock treatment 0.394 3.44E-4 0.01 0.392 -0.00325 -0.21 -0.1398 -0.6635 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O01 compound treatment 0.395 0.00134 0.05 0.397 0.00175 0.11 0.115 0.9307 2063088 Enamine_004885 C(Nc1nc2ccccc2s1)C3CCCO3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O02 compound treatment 0.404 0.0103 0.38 0.402 0.00675 0.44 0.5775 0.9976 2063089 Enamine_004886 NC(=O)COC(=O)c1ccc(Cl)c(N)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O03 compound treatment 0.407 0.0133 0.49 0.41 0.0147 0.95 1.0214 0.952 2063090 Enamine_004887 Cc1ccc(/C=N/c2sc3CCCc3c2C(=O)N)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O04 compound treatment 0.4 0.00634 0.23 0.405 0.00975 0.63 0.6109 0.9083 2063091 Enamine_004888 Clc1ccccc1OCc2nnc3CCCn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O05 compound treatment 0.402 0.00834 0.31 0.403 0.00775 0.5 0.5713 0.9721 2063092 Enamine_004889 CC1CCCC(C)N1C(=O)COC(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O06 compound treatment 0.408 0.0143 0.53 0.403 0.00775 0.5 0.7271 0.9997 1693008 Enamine_004890 Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O07 compound treatment 0.4 0.00634 0.23 0.394 -0.00125 -0.08 0.1075 0.436 2063093 Enamine_004891 O=C(Nc1ccccc1)C2CCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O08 compound treatment 0.397 0.00334 0.12 0.406 0.0107 0.7 0.5787 0.8193 1725774 Enamine_004892 Clc1ccc(cc1Cl)C(=O)OCC(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O09 compound treatment 0.401 0.00734 0.27 0.395 -2.5E-4 -0.02 0.1793 0.6635 2063094 Enamine_004893 CC1CCCC(C)N1C(=O)COC(=O)c2cc(C)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O10 compound treatment 0.4 0.00634 0.23 0.399 0.00375 0.24 0.3363 0.9998 2063095 Enamine_004894 CN1CCCC(C1)OC(=O)c2cc(F)c(F)c(F)c2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O11 compound treatment 0.379 -0.0147 -0.54 0.378 -0.0173 -1.12 -1.1699 -0.944 2063096 Enamine_004895 N#Cc1ccc(CSc2ncnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O12 compound treatment 0.4 0.00634 0.23 0.398 0.00275 0.18 0.2906 0.9912 1351948 Enamine_004896 CN(C1CCCCC1)C(=O)COC(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O13 compound treatment 0.406 0.0123 0.45 0.396 7.5E-4 0.05 0.3548 0.7784 2063097 Enamine_004897 CN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O14 compound treatment 0.484 0.0903 3.32 0.467 0.0717 4.64 5.629 0.9864 2063098 Enamine_004898 COc1ccc(cc1)c2nn(cc2/C=C\C(=O)N(C)C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O15 compound treatment 0.447 0.0533 1.96 0.451 0.0558 3.61 3.9362 0.9588 2063099 Enamine_004899 O=C(Nc1nc(cs1)c2ccc3CCCCc3c2)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O16 compound treatment 0.469 0.0753 2.77 0.461 0.0658 4.25 4.965 0.9783 2063100 Enamine_004900 CCOc1ccccc1Nc2nc3cc(Cl)ccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O17 compound treatment 0.399 0.00534 0.2 0.402 0.00675 0.44 0.4476 0.9348 2063101 Enamine_004901 Cc1ccc(s1)C(=O)OCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O18 compound treatment 0.401 0.00734 0.27 0.4 0.00475 0.31 0.408 0.9979 1422192 Enamine_004902 Oc1ccc(cc1)C(=O)OCC(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O19 compound treatment 0.406 0.0123 0.45 0.405 0.00975 0.63 0.7667 0.9868 2063102 Enamine_004903 COc1ccc(cc1)C(=O)CN2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O20 compound treatment 0.398 0.00434 0.16 0.394 -0.00125 -0.08 0.0556 0.3108 1665806 Enamine_004904 Cc1ccc(C(=O)OCC(=O)NCC2CCCO2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O21 compound treatment 0.402 0.00834 0.31 0.408 0.0127 0.83 0.8001 0.909 1290790 Enamine_004905 Nc1c(C(=O)NCC=C)c2nc3ccccc3nc2n1CCc4ccccc4F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O22 compound treatment 0.394 3.44E-4 0.01 0.399 0.00375 0.24 0.1805 0.7429 2063103 Enamine_004906 COC(=O)c1ccc(cc1)C2(C#N)C(=O)Nc3ccccc32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O23 mock treatment 0.392 -0.00166 -0.06 0.398 0.00275 0.18 0.0828 0.4404 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 O24 mock treatment 0.391 -0.00266 -0.1 0.392 -0.00325 -0.21 -0.2177 -0.939 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P01 compound treatment 0.386 -0.00766 -0.28 0.406 0.0107 0.7 0.2931 0.3906 2063104 Enamine_004907 CCC1CCCCN1C(=O)COC(=O)c2cc(C)nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P02 compound treatment 0.401 0.00734 0.27 0.399 0.00375 0.24 0.3623 0.9986 2063105 Enamine_004908 FC(F)(F)c1ccccc1NC(=O)COC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P03 compound treatment 0.408 0.0143 0.53 0.4 0.00475 0.31 0.5898 0.9671 1400908 Enamine_004909 Clc1c(sc2ccccc12)C(=O)OCC(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P04 compound treatment 0.397 0.00334 0.12 0.395 -2.5E-4 -0.02 0.0754 0.6087 1742219 Enamine_004910 Cc1cc(cc(C)c1COC(=O)C2CCC(=O)N2)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P05 compound treatment 0.404 0.0103 0.38 0.404 0.00875 0.57 0.669 0.9811 2063106 Enamine_004911 CCOC(=O)C1CCCN(C1)C(=O)COc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P06 compound treatment 0.398 0.00434 0.16 0.396 7.5E-4 0.05 0.1471 0.8823 2063107 Enamine_004912 CC(NC(=O)c1ccc(cc1)C(F)(F)F)C(N2CCCC2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P07 compound treatment 0.407 0.0133 0.49 0.399 0.00375 0.24 0.5181 0.9475 2063108 Enamine_004913 COc1cccc(C(=O)NC(C)C2CC3CCC2C3)c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P08 compound treatment 0.406 0.0123 0.45 0.399 0.00375 0.24 0.4921 0.9571 2063109 Enamine_004914 COc1ccc(NC(=O)CNc2cccc(Oc3ccccc3)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P09 compound treatment 0.402 0.00834 0.31 0.407 0.0118 0.76 0.7543 0.9201 2063110 Enamine_004915 Fc1ccccc1C(=O)CSC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P10 compound treatment 0.406 0.0123 0.45 0.406 0.0107 0.7 0.8124 0.9785 2063111 Enamine_004916 Cc1ccc(C)n1Cc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P11 compound treatment 0.401 0.00734 0.27 0.395 -2.5E-4 -0.02 0.1793 0.6635 1380673 Enamine_004917 Clc1ccc(cc1)C2(CCCC2)C(=O)OC3CCOC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P12 compound treatment 0.421 0.0273 1.0 0.406 0.0107 0.7 1.2019 0.9839 2063112 Enamine_004918 Cc1c(Cl)cccc1NCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P13 compound treatment 0.394 3.44E-4 0.01 0.399 0.00375 0.24 0.1805 0.7429 2063113 Enamine_004919 CC(C)c1cccc(C(C)C)c1NC(=O)CSc2ncccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P14 compound treatment 0.398 0.00434 0.16 0.399 0.00375 0.24 0.2844 0.9793 2063114 Enamine_004920 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)NCc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P15 compound treatment 0.401 0.00734 0.27 0.4 0.00475 0.31 0.408 0.9979 2063115 Enamine_004921 CCN(CC)c1ccc(/C=N/O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P16 compound treatment 0.394 3.44E-4 0.01 0.384 -0.0113 -0.73 -0.5059 -0.6947 2063116 Enamine_004922 CCc1ccc(cc1)C(=O)Nc2cc(C)nn2c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P17 compound treatment 0.412 0.0183 0.67 0.419 0.0238 1.54 1.5631 0.9315 1915989 Enamine_004923 CC(=O)Nc1ccc(cc1)n2c(C)ccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P18 compound treatment 0.397 0.00334 0.12 0.382 -0.0133 -0.86 -0.5195 -0.5997 2063117 Enamine_004924 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(F)c(F)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P19 compound treatment 0.4 0.00634 0.23 0.401 0.00575 0.37 0.4278 0.9746 2063118 Enamine_004925 Cn1c(nc2ccccc12)N3CCNCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P20 compound treatment 0.395 0.00134 0.05 0.396 7.5E-4 0.05 0.0692 1.0 2063119 Enamine_004926 CC1(C)C2CCC1(CS(=O)(=O)NCc3ccc(Cl)cc3Cl)C(=O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P21 compound treatment 0.398 0.00434 0.16 0.398 0.00275 0.18 0.2386 0.9985 2063120 Enamine_004927 COC(=O)C(N)c1c[nH]c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P22 compound treatment 0.389 -0.00466 -0.17 0.392 -0.00325 -0.21 -0.2696 -0.9947 2063121 Enamine_004928 Brc1ccc2oc(cc(=O)c2c1)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P23 mock treatment 0.395 0.00134 0.05 0.393 -0.00225 -0.15 -0.0681 -0.4427 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1407 P24 mock treatment 0.384 -0.00966 -0.35 0.396 7.5E-4 0.05 -0.2164 -0.6047 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A01 compound treatment 0.374 -0.0225 -0.83 0.381 -0.011 -0.71 -1.089 -0.9973 2063122 Enamine_004929 CCn1c2C(=O)c3ccccc3C(=O)c2n[n+]1[O-] 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A02 compound treatment 0.384 -0.0125 -0.46 0.384 -0.00803 -0.52 -0.6921 -0.9981 2063123 Enamine_004930 Fc1ccc(NCC(=O)Nc2ccc3OCCOc3c2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A03 compound treatment 0.384 -0.0125 -0.46 0.386 -0.00603 -0.39 -0.6006 -0.9967 2063124 Enamine_004931 CCCCc1ccc(NS(=O)(=O)CC2(CCC3CC2=O)C3(C)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A04 compound treatment 0.387 -0.0095 -0.35 0.397 0.00497 0.32 -0.0193 -0.0407 2063125 Enamine_004932 CCC(=O)c1cc(F)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A05 compound treatment 0.385 -0.0115 -0.42 0.391 -0.00103 -0.07 -0.3458 -0.8088 2063126 Enamine_004933 CC(C)c1cccc(C)c1NC(=O)COC(=O)c2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A06 compound treatment 0.382 -0.0145 -0.53 0.391 -0.00103 -0.07 -0.4237 -0.7896 2063127 Enamine_004934 O=C(CC#N)N1CCn2c1nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A07 compound treatment 0.4 0.0035 0.13 0.386 -0.00603 -0.39 -0.1851 -0.4505 2063128 Enamine_004935 CC(NC(=O)CN1CCc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A08 compound treatment 0.394 -0.0025 -0.09 0.396 0.00397 0.26 0.1167 0.4278 1170075 Enamine_004936 CC(C)(C)c1ccc(cc1)C(=O)NC(C)(C)CO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A09 compound treatment 0.389 -0.0075 -0.28 0.399 0.00697 0.45 0.1241 0.2349 2063129 Enamine_004937 COc1cc(cc(OC)c1OC)C(=O)CBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A10 compound treatment 0.398 0.0015 0.06 0.401 0.00897 0.58 0.4493 0.7708 2063130 Enamine_004938 CCCCn1ccnc1C(=O)c2cc(Cl)cc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A11 compound treatment 0.39 -0.0065 -0.24 0.393 9.69E-4 0.06 -0.1245 -0.5043 1663761 Enamine_004939 O=S(=O)(N1CCOCC1)c2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A12 compound treatment 0.401 0.0045 0.17 0.404 0.012 0.77 0.6645 0.8391 1287304 Enamine_004940 CC1CN(CCCC(=O)Nc2c(C)cccc2C)CC(C)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A13 compound treatment 0.436 0.0395 1.45 0.433 0.041 2.65 2.9003 0.9597 2063131 Enamine_004941 Cc1ccc(C)n1c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A14 compound treatment 0.423 0.0265 0.97 0.419 0.027 1.75 1.9221 0.962 1691365 Enamine_004942 CCOC(=O)c1cc(sc1N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A15 compound treatment 0.388 -0.0085 -0.31 0.396 0.00397 0.26 -0.0391 -0.0968 2063132 Enamine_004943 Cc1ccc(cc1)c2nc(N)oc2c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A16 compound treatment 0.394 -0.0025 -0.09 0.389 -0.00303 -0.2 -0.2036 -0.9402 2063133 Enamine_004944 O=C(CC(=O)N1CCc2ccccc2C1)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A17 compound treatment 0.403 0.0065 0.24 0.389 -0.00303 -0.2 0.0301 0.0974 2063134 Enamine_004945 OC(=O)/C=C/C(=O)c1ccc(F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A18 compound treatment 0.418 0.0215 0.79 0.418 0.026 1.68 1.7466 0.9407 2063135 Enamine_004946 ClCc1nc2sc3CCCCc3c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A19 compound treatment 0.401 0.0045 0.17 0.402 0.00997 0.65 0.573 0.8605 2063136 Enamine_004947 Cc1sc2nc(CC#N)[nH]c(=O)c2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A20 compound treatment 0.393 -0.0035 -0.13 0.387 -0.00503 -0.33 -0.3211 -0.9174 2063137 Enamine_004948 CC(C)C(C(=O)O)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A21 compound treatment 0.39 -0.0065 -0.24 0.397 0.00497 0.32 0.0586 0.1463 1019585 Enamine_004949 CN(C)C(=S)SCc1ccc(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A22 compound treatment 0.39 -0.0065 -0.24 0.389 -0.00303 -0.2 -0.3075 -0.9952 2063138 Enamine_004950 Cc1cccc2nc(CSCc3ccco3)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A23 mock treatment 0.39 -0.0065 -0.24 0.389 -0.00303 -0.2 -0.3075 -0.9952 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 A24 mock treatment 0.385 -0.0115 -0.42 0.382 -0.01 -0.65 -0.7576 -0.9783 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B01 compound treatment 0.394 -0.0025 -0.09 0.425 0.033 2.13 1.4437 0.6761 1914791 Enamine_004951 Oc1ccccc1/C=N/c2ccc(\N=C\c3ccccc3O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B02 compound treatment 0.406 0.0095 0.35 0.406 0.014 0.9 0.8859 0.9143 1464999 Enamine_004952 O=c1nc2scc(c3ccccc3)n2c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B03 compound treatment 0.409 0.0125 0.46 0.407 0.015 0.97 1.0095 0.9418 2063139 Enamine_004953 COc1ccc(cc1OC)c2csc(C)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B04 compound treatment 0.406 0.0095 0.35 0.401 0.00897 0.58 0.6571 0.9703 2063140 Enamine_004954 CC1CCCC(C)N1C(=O)COc2ccc(cc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B05 compound treatment 0.406 0.0095 0.35 0.408 0.016 1.03 0.9774 0.8961 2063141 Enamine_004955 COC(=O)c1ccc(NC(=O)CCCCl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B06 compound treatment 0.402 0.0055 0.2 0.398 0.00597 0.39 0.4159 0.9543 2063142 Enamine_004956 OC(=O)CCOc1cccc(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B07 compound treatment 0.41 0.0135 0.5 0.405 0.013 0.84 0.944 0.9685 2063143 Enamine_004957 CC1CN=C(NC(=O)c2ccccc2)S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B08 compound treatment 0.429 0.0325 1.19 0.415 0.023 1.49 1.8949 0.9941 2063144 Enamine_004958 CC(C)C(NC(=O)c1cccs1)C(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B09 compound treatment 0.417 0.0205 0.75 0.406 0.014 0.9 1.1715 0.9959 1711477 Enamine_004959 CCCc1nnc(NC2CCCC2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B10 compound treatment 0.425 0.0285 1.05 0.437 0.045 2.91 2.7977 0.9047 2063145 Enamine_004960 O=C(COC(=O)c1n[nH]c2ccccc12)NC(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B11 compound treatment 0.433 0.0365 1.34 0.44 0.048 3.1 3.1427 0.9295 1043590 Enamine_004961 c1ccc(cc1)c2nnc(nn2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B12 compound treatment 0.348 -0.0485 -1.78 0.351 -0.041 -2.66 -3.1369 -0.9811 1212840 Enamine_004962 Cc1ccn2cc(nc2c1)c3cccc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B13 compound treatment 0.427 0.0305 1.12 0.404 0.012 0.77 1.3396 0.9838 1005695 Enamine_004963 Oc1ccccc1C(=O)Nc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B14 compound treatment 0.409 0.0125 0.46 0.407 0.015 0.97 1.0095 0.9418 2063146 Enamine_004964 Nc1nn2cc(nc2s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B15 compound treatment 0.406 0.0095 0.35 0.41 0.018 1.16 1.0689 0.8805 1606738 Enamine_004965 OC(=O)CCS(=O)(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B16 compound treatment 0.419 0.0225 0.83 0.416 0.024 1.55 1.681 0.9565 1034514 Enamine_004966 Cc1c(Cl)cccc1N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B17 compound treatment 0.416 0.0195 0.72 0.409 0.017 1.1 1.2828 0.9785 2063147 Enamine_004967 COCCN1C(=O)C=CC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B18 compound treatment 0.4 0.0035 0.13 0.402 0.00997 0.65 0.547 0.8316 2063148 Enamine_004968 Cc1cc(C)n(n1)c2ccc(cc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B19 compound treatment 0.426 0.0295 1.08 0.431 0.039 2.52 2.5491 0.9288 2063149 Enamine_004969 Cc1ccc2nc(sc2c1)c3ccc(cc3)N4C(=O)C=CC4=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B20 compound treatment 0.404 0.0075 0.28 0.403 0.011 0.71 0.6967 0.915 2063150 Enamine_004970 Cc1ccc(/C=C/C(=O)O)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B21 compound treatment 0.43 0.0335 1.23 0.429 0.037 2.39 2.5615 0.9522 2063151 Enamine_004971 O=C1C=CC(=O)N1c2ccccc2Sc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B22 compound treatment 0.401 0.0045 0.17 0.4 0.00797 0.52 0.4815 0.8892 2063152 Enamine_004972 COc1ccc2C(=O)NC(Oc2c1)(c3ccccc3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B23 mock treatment 0.405 0.0085 0.31 0.398 0.00597 0.39 0.4938 0.9944 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 B24 mock treatment 0.398 0.0015 0.06 0.392 -3.12E-5 0.0 0.0375 0.6807 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C01 compound treatment 0.376 -0.0205 -0.75 0.379 -0.013 -0.84 -1.1286 -0.9984 2063153 Enamine_004973 [O-][n+]1nc2C(=O)c3ccccc3C(=O)c2n1c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C02 compound treatment 0.44 0.0435 1.6 0.416 0.024 1.55 2.2263 0.9999 2063154 Enamine_004974 Clc1ccc2n(Cc3ccccc3)c(=O)c(=O)[nH]c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C03 compound treatment 0.426 0.0295 1.08 0.426 0.034 2.2 2.3204 0.9468 2063155 Enamine_004975 Cc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C04 compound treatment 0.4 0.0035 0.13 0.394 0.00197 0.13 0.181 1.0 1017602 Enamine_004976 N#CCCN1c2ccccc2Sc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C05 compound treatment 0.398 0.0015 0.06 0.414 0.022 1.42 1.0442 0.734 2063156 Enamine_004977 COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C06 compound treatment 0.428 0.0315 1.16 0.426 0.034 2.2 2.3723 0.955 2063157 Enamine_004978 OC(=O)CSc1nc2cc(Cl)ccc2n1Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C07 compound treatment 0.385 -0.0115 -0.42 0.385 -0.00703 -0.46 -0.6204 -0.9993 2063158 Enamine_004979 CN(Cc1ccccc1)C(=O)CNc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C08 compound treatment 0.388 -0.0085 -0.31 0.385 -0.00703 -0.46 -0.5425 -0.9831 2063159 Enamine_004980 FC(F)(F)c1cccc(/C=C/C(=O)NCc2cn3ccccc3n2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C09 compound treatment 0.387 -0.0095 -0.35 0.379 -0.013 -0.84 -0.843 -0.9237 1219770 Enamine_004981 OC(=O)C1(CC2CC3C1)CC(C2)(C3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C10 compound treatment 0.385 -0.0115 -0.42 0.384 -0.00803 -0.52 -0.6661 -0.9947 2063160 Enamine_004982 Cc1nn(c(N)c1C2=CCC(CC2)C(C)(C)C)c3nc(C)cc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C11 compound treatment 0.444 0.0475 1.74 0.44 0.048 3.1 3.4284 0.9628 2063161 Enamine_004983 Cc1cc(OC(=O)c2ccc(C)cc2)n(Cc3ccccc3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C12 compound treatment 0.381 -0.0155 -0.57 0.379 -0.013 -0.84 -0.9988 -0.9817 1439257 Enamine_004984 Cc1ccc(cc1)c2ccc(cc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C13 compound treatment 0.383 -0.0135 -0.5 0.376 -0.016 -1.04 -1.0841 -0.9429 1008056 Enamine_004985 NN(Cc1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C14 compound treatment 0.338 -0.0585 -2.15 0.342 -0.05 -3.24 -3.8084 -0.9802 1660477 Enamine_004986 Cc1cc(NN)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C15 compound treatment 0.373 -0.0235 -0.86 0.382 -0.01 -0.65 -1.0692 -0.9901 1433800 Enamine_004987 OC(=O)CNC(=O)c1cccs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C16 compound treatment 0.385 -0.0115 -0.42 0.387 -0.00503 -0.33 -0.5288 -0.9917 1429343 Enamine_004988 CC(=O)Nc1sc(C)c(C)c1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C17 compound treatment 0.399 0.0025 0.09 0.404 0.012 0.77 0.6126 0.7854 2063162 Enamine_004989 Cc1ccc(cc1)c2cc(N)n(n2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C18 compound treatment 0.392 -0.0045 -0.17 0.39 -0.00203 -0.13 -0.2098 -0.9936 1278835 Enamine_004990 CCOc1ccccc1C(=O)NCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C19 compound treatment 0.388 -0.0085 -0.31 0.384 -0.00803 -0.52 -0.5882 -0.9702 2063163 Enamine_004991 CCCc1ccc(cc1)c2cc(N)[nH]n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C20 compound treatment 0.38 -0.0165 -0.61 0.385 -0.00703 -0.46 -0.7502 -0.99 2063164 Enamine_004992 COC(=O)CCc1nc2cc(Cl)ccc2n(Cc3ccccc3)c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C21 compound treatment 0.403 0.0065 0.24 0.395 0.00297 0.19 0.3046 0.9942 2063165 Enamine_004993 Cc1[nH]c2ccccc2c1C(=O)COc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C22 compound treatment 0.395 -0.0015 -0.06 0.39 -0.00203 -0.13 -0.1319 -0.9255 2063166 Enamine_004994 Clc1ccccc1C(=O)CSC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C23 mock treatment 0.377 -0.0195 -0.72 0.371 -0.021 -1.36 -1.4687 -0.955 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 C24 mock treatment 0.382 -0.0145 -0.53 0.378 -0.014 -0.91 -1.0186 -0.9677 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D01 compound treatment 0.404 0.0075 0.28 0.4 0.00797 0.52 0.5594 0.9568 2063167 Enamine_004995 CC(=O)Nc1nc2ccccc2nc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D02 compound treatment 0.397 5.0E-4 0.02 0.401 0.00897 0.58 0.4234 0.7291 2063168 Enamine_004996 Cc1ccc(cc1C)N2C(=O)/C(=C/NCC3CCCO3)/c4ccccc4C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D03 compound treatment 0.397 5.0E-4 0.02 0.398 0.00597 0.39 0.2861 0.7399 2063169 Enamine_004997 Cc1nc(cs1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D04 compound treatment 0.395 -0.0015 -0.06 0.405 0.013 0.84 0.5545 0.6593 2063170 Enamine_004998 Cc1cc(C(=O)CC#N)c(C)n1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D05 compound treatment 0.394 -0.0025 -0.09 0.399 0.00697 0.45 0.254 0.5518 1009925 Enamine_004999 CC(NC(=O)c1ccccc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D06 compound treatment 0.402 0.0055 0.2 0.392 -3.12E-5 0.0 0.1414 0.7 1248451 Enamine_005000 OC(=O)c1ccc(cc1)N2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D07 compound treatment 0.404 0.0075 0.28 0.399 0.00697 0.45 0.5136 0.972 2063171 Enamine_005001 CC1CN=C(Nc2cccc3ccccc23)S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D08 compound treatment 0.393 -0.0035 -0.13 0.395 0.00297 0.19 0.045 0.1945 2063172 Enamine_005002 Cc1nnsc1c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D09 compound treatment 0.404 0.0075 0.28 0.402 0.00997 0.65 0.6509 0.928 2063173 Enamine_005003 C[n+]1c(CF)sc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D10 compound treatment 0.388 -0.0085 -0.31 0.391 -0.00103 -0.07 -0.2679 -0.8393 2063174 Enamine_005004 CCN(C1CCCCC1)C(=O)COc2ccc3ccc(=O)oc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D11 compound treatment 0.402 0.0055 0.2 0.396 0.00397 0.26 0.3244 0.9929 2063175 Enamine_005005 CCC(=O)n1cnc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D12 compound treatment 0.396 -5.0E-4 -0.02 0.398 0.00597 0.39 0.2601 0.6727 2063176 Enamine_005006 Clc1ccc(Cl)c(NCC(=O)N2CCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D13 compound treatment 0.295 -0.102 -3.73 0.286 -0.106 -6.86 -7.4874 -0.9589 1227363 Enamine_005007 CCOc1ccccc1NC(=O)c2ccccc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D14 compound treatment 0.392 -0.0045 -0.17 0.401 0.00897 0.58 0.2935 0.4864 2063177 Enamine_005008 Cn1c(c(C(=O)CC#N)c2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D15 compound treatment 0.315 -0.0815 -2.99 0.32 -0.072 -4.66 -5.4123 -0.9771 1446943 Enamine_005009 Cc1ccc(NC(=O)c2ccccc2O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D16 compound treatment 0.397 5.0E-4 0.02 0.401 0.00897 0.58 0.4234 0.7291 2063178 Enamine_005010 Cc1ccc(NC2=NC(C)(C)CS2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D17 compound treatment 0.405 0.0085 0.31 0.412 0.02 1.29 1.1344 0.8534 2063179 Enamine_005011 Cc1ccccc1c2nn[nH]n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D18 compound treatment 0.399 0.0025 0.09 0.4 0.00797 0.52 0.4296 0.8201 2063180 Enamine_005012 CCCCS(=O)(=O)C1CCS(=O)(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D19 compound treatment 0.421 0.0245 0.9 0.401 0.00897 0.58 1.0466 0.9775 1234419 Enamine_005013 Nc1nc(cs1)c2ccc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D20 compound treatment 0.448 0.0515 1.89 0.434 0.042 2.72 3.2577 0.9844 2063181 Enamine_005014 Clc1ccc(OCc2nc(no2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D21 compound treatment 0.391 -0.0055 -0.2 0.4 0.00797 0.52 0.2218 0.4005 2063182 Enamine_005015 CC(O)CNc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D22 compound treatment 0.399 0.0025 0.09 0.396 0.00397 0.26 0.2465 0.9039 2063183 Enamine_005016 NC(=S)n1ncc(C#N)c1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D23 mock treatment 0.418 0.0215 0.79 0.398 0.00597 0.39 0.8314 0.9459 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 D24 mock treatment 0.392 -0.0045 -0.17 0.389 -0.00303 -0.2 -0.2556 -0.9964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E01 compound treatment 0.419 0.0225 0.83 0.406 0.014 0.9 1.2234 0.999 2063184 Enamine_005017 Cc1ccc(O)c(c1)C(=O)CC(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E02 compound treatment 0.415 0.0185 0.68 0.414 0.022 1.42 1.4856 0.9429 2063185 Enamine_005018 Cc1ccc(C)n1C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E03 compound treatment 0.41 0.0135 0.5 0.4 0.00797 0.52 0.7152 0.9998 1477723 Enamine_005019 O=C(COC(=O)c1n[nH]c2ccccc12)N3CCCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E04 compound treatment 0.411 0.0145 0.53 0.397 0.00497 0.32 0.6039 0.9708 2063186 Enamine_005020 CC1CCCCN1C(=O)CC(=O)N2CCCCC2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E05 compound treatment 0.397 5.0E-4 0.02 0.399 0.00697 0.45 0.3319 0.7353 2063187 Enamine_005021 Clc1ccc(CNC(=O)CC2OC(=O)c3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E06 compound treatment 0.404 0.0075 0.28 0.4 0.00797 0.52 0.5594 0.9568 2063188 Enamine_005022 Cc1ccc(NCCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E07 compound treatment 0.372 -0.0245 -0.9 0.364 -0.028 -1.81 -1.9188 -0.9477 2063189 Enamine_005023 Cc1cccn2cc(nc12)c3cccc(Br)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E08 compound treatment 0.418 0.0215 0.79 0.414 0.022 1.42 1.5635 0.9615 2063190 Enamine_005024 FC(F)(F)c1cc(Cl)c2nc(CSc3ncccn3)cn2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E09 compound treatment 0.403 0.0065 0.24 0.397 0.00497 0.32 0.3961 0.9892 2063191 Enamine_005025 Clc1ccc(Cl)c(c1)C(=O)CBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E10 compound treatment 0.407 0.0105 0.39 0.404 0.012 0.77 0.8203 0.9481 2063192 Enamine_005026 Clc1nc2sccn2c1C(=O)Nc3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E11 compound treatment 0.392 -0.0045 -0.17 0.399 0.00697 0.45 0.202 0.4206 2063193 Enamine_005027 CCCc1nc2ccccc2n1CC(=O)Nc3ccc(OC)cc3OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E12 compound treatment 0.452 0.0555 2.04 0.446 0.054 3.49 3.9106 0.9671 2063194 Enamine_005028 Cc1ccnc2nc(nn12)C(=O)Nc3ccc(Cl)cc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E13 compound treatment 0.418 0.0215 0.79 0.4 0.00797 0.52 0.9229 0.9787 2063195 Enamine_005029 CCNc1ccc2oc3ccccc3c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E14 compound treatment 0.398 0.0015 0.06 0.396 0.00397 0.26 0.2206 0.8397 2063196 Enamine_005030 c1ccc(cc1)c2nn[nH]n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E15 compound treatment 0.486 0.0895 3.29 0.476 0.084 5.43 6.1662 0.971 1047840 Enamine_005031 ClCc1cccc2c(CCl)cccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E16 compound treatment 0.394 -0.0025 -0.09 0.398 0.00597 0.39 0.2082 0.5244 2063197 Enamine_005032 Fc1ccccc1OCCBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E17 compound treatment 0.407 0.0105 0.39 0.415 0.023 1.49 1.3237 0.862 2063198 Enamine_005033 Cc1cc(C)c(cc1C)c2cc(N)[nH]n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E18 compound treatment 0.415 0.0185 0.68 0.425 0.033 2.13 1.989 0.8883 2063199 Enamine_005034 OC(=O)CCc1nc2cc(Cl)ccc2n(Cc3ccccc3)c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E19 compound treatment 0.394 -0.0025 -0.09 0.398 0.00597 0.39 0.2082 0.5244 1088355 Enamine_005035 ClCc1nnc(o1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E20 compound treatment 0.396 -5.0E-4 -0.02 0.4 0.00797 0.52 0.3517 0.6815 1652376 Enamine_005036 OC(=O)CNC(=O)C1CCCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E21 compound treatment 0.397 5.0E-4 0.02 0.402 0.00997 0.65 0.4691 0.7269 1510954 Enamine_005037 CSc1ccccc1NC(=O)CSc2nccn2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E22 compound treatment 0.4 0.0035 0.13 0.395 0.00297 0.19 0.2267 0.9809 2063200 Enamine_005038 O=C(CSC1CCCC1)NCC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E23 mock treatment 0.393 -0.0035 -0.13 0.392 -3.12E-5 0.0 -0.0923 -0.7181 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 E24 mock treatment 0.401 0.0045 0.17 0.393 9.69E-4 0.06 0.1612 0.9119 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F01 compound treatment 0.435 0.0385 1.41 0.44 0.048 3.1 3.1947 0.9366 2063201 Enamine_005039 Cc1ccc(cc1C)N2C(=O)/C(=C/Nc3ccccn3)/c4ccccc4C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F02 compound treatment 0.51 0.114 4.17 0.511 0.119 7.7 8.391 0.9585 2063202 Enamine_005040 Cc1ccc(cc1C)N2C(=O)/C(=C/NCc3ccncc3)/c4ccccc4C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F03 compound treatment 0.407 0.0105 0.39 0.41 0.018 1.16 1.0949 0.8937 1584940 Enamine_005041 NC(Cc1ccccc1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F04 compound treatment 0.421 0.0245 0.9 0.436 0.044 2.85 2.6481 0.8874 2063203 Enamine_005042 Cc1ccc(cc1)c2sc(nc2CC(=O)O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F05 compound treatment 0.412 0.0155 0.57 0.409 0.017 1.1 1.1789 0.9532 2063204 Enamine_005043 CC(C)(C)c1ccc(cc1)C(=O)CCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F06 compound treatment 0.413 0.0165 0.61 0.408 0.016 1.03 1.1591 0.9676 2063205 Enamine_005044 OC(=O)c1cc(nn1c2cccc(c2)C(F)(F)F)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F07 compound treatment 0.435 0.0385 1.41 0.432 0.04 2.59 2.8286 0.9596 2063206 Enamine_005045 O=C/1Nc2ccccc2\C1=N\c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F08 compound treatment 0.438 0.0415 1.52 0.422 0.03 1.94 2.4489 0.9929 2063207 Enamine_005046 c1ccc(cc1)c2nnsc2c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F09 compound treatment 0.401 0.0045 0.17 0.416 0.024 1.55 1.2136 0.778 2063208 Enamine_005047 Cc1csc(NC(=O)C(C)(C)Br)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F10 compound treatment 0.406 0.0095 0.35 0.401 0.00897 0.58 0.6571 0.9703 2063209 Enamine_005048 Fc1cccc(F)c1NC(=O)COC(=O)Cn2cnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F11 compound treatment 0.422 0.0255 0.94 0.43 0.038 2.46 2.3995 0.9126 2063210 Enamine_005049 Cc1cc(nnc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F12 compound treatment 0.5 0.103 3.8 0.489 0.097 6.28 7.1246 0.9711 2063211 Enamine_005050 Clc1ccc(CSC(=S)NC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F13 compound treatment 0.414 0.0175 0.64 0.406 0.014 0.9 1.0936 0.986 3054578 Enamine_005051 CC[N+](CC)(CC)Cc1ccccc1.OC(=O)c1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F14 compound treatment 0.405 0.0085 0.31 0.41 0.018 1.16 1.0429 0.8663 2063212 Enamine_005052 COC(=O)c1ccc(cc1)n2c(C)cc(C(=O)CC#N)c2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F15 compound treatment 0.408 0.0115 0.42 0.41 0.018 1.16 1.1208 0.906 1012057 Enamine_005053 Clc1ccc(cc1)S(=O)(=O)Nc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F16 compound treatment 0.408 0.0115 0.42 0.408 0.016 1.03 1.0293 0.9221 2063213 Enamine_005054 Nc1nc(cs1)c2ccc3CCCCc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F17 compound treatment 0.427 0.0305 1.12 0.453 0.061 3.95 3.5818 0.8733 2063214 Enamine_005055 O=C(Cc1nc2ccccc2[nH]1)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F18 compound treatment 0.463 0.0665 2.44 0.474 0.082 5.3 5.4775 0.938 2063215 Enamine_005056 Cc1cc(NC(=O)c2ccc(F)cc2F)n(n1)c3nc(C)cc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F19 compound treatment 0.425 0.0285 1.05 0.423 0.031 2.0 2.1571 0.9541 1034229 Enamine_005057 O=C1C=CC(=O)N1CCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F20 compound treatment 0.386 -0.0105 -0.39 0.384 -0.00803 -0.52 -0.6401 -0.9892 2063216 Enamine_005058 COc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F21 compound treatment 0.406 0.0095 0.35 0.405 0.013 0.84 0.8401 0.9244 2063217 Enamine_005059 CCOc1ccc(OCCCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F22 compound treatment 0.421 0.0245 0.9 0.427 0.035 2.26 2.2363 0.9183 2063218 Enamine_005060 ClCc1cc(=O)oc2ccc3ccccc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F23 mock treatment 0.404 0.0075 0.28 0.403 0.011 0.71 0.6967 0.915 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 F24 mock treatment 0.403 0.0065 0.24 0.401 0.00897 0.58 0.5792 0.9229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G01 compound treatment 0.375 -0.0215 -0.79 0.35 -0.042 -2.72 -2.4815 -0.8762 2063219 Enamine_005061 Oc1ccc(Cl)cc1c2cc([nH]n2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G02 compound treatment 0.4 0.0035 0.13 0.4 0.00797 0.52 0.4555 0.8571 2063220 Enamine_005062 Cc1ccc(/C=C/C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G03 compound treatment 0.39 -0.0065 -0.24 0.393 9.69E-4 0.06 -0.1245 -0.5043 2063221 Enamine_005063 O=C(COc1ccc(cc1)C(=O)c2ccccc2)NCC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G04 compound treatment 0.405 0.0085 0.31 0.398 0.00597 0.39 0.4938 0.9944 2063222 Enamine_005064 Clc1nc2ccccc2nc1NC(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G05 compound treatment 0.393 -0.0035 -0.13 0.402 0.00997 0.65 0.3653 0.5553 2063223 Enamine_005065 FC(F)(F)Oc1ccc(NC(=O)COc2cccc(Cl)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G06 compound treatment 0.468 0.0715 2.63 0.471 0.079 5.11 5.4701 0.9521 1191318 Enamine_005066 COc1cccc2c(C)cc(=O)[nH]c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G07 compound treatment 0.409 0.0125 0.46 0.409 0.017 1.1 1.101 0.9251 2063224 Enamine_005067 COC(=O)c1ccc(NCC(=O)N2CC(C)CC(C)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G08 compound treatment 0.41 0.0135 0.5 0.403 0.011 0.71 0.8525 0.9846 2063225 Enamine_005068 OC(COCc1cccs1)CN2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G09 compound treatment 0.393 -0.0035 -0.13 0.4 0.00797 0.52 0.2738 0.5151 2063226 Enamine_005069 Cc1ccccc1/C(=N\O)/N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G10 compound treatment 0.41 0.0135 0.5 0.407 0.015 0.97 1.0355 0.9516 2063227 Enamine_005070 FC(F)(F)c1cnc(NC(=O)COC(=O)CCC2CCCC2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G11 compound treatment 0.398 0.0015 0.06 0.401 0.00897 0.58 0.4493 0.7708 2063228 Enamine_005071 CCCc1nc2ccccc2n1CC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G12 compound treatment 0.4 0.0035 0.13 0.411 0.019 1.23 0.9589 0.7769 1468746 Enamine_005072 Cn1ccnc1SCC(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G13 compound treatment 0.406 0.0095 0.35 0.401 0.00897 0.58 0.6571 0.9703 1870875 Enamine_005073 Nc1nc(c(o1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G14 compound treatment 0.397 5.0E-4 0.02 0.399 0.00697 0.45 0.3319 0.7353 1639858 Enamine_005074 COc1ccccc1NC(=O)CC(=O)Nc2ccccc2OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G15 compound treatment 0.395 -0.0015 -0.06 0.395 0.00297 0.19 0.0969 0.4848 1312906 Enamine_005075 CCN(CC)CCn1c(N)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G16 compound treatment 0.404 0.0075 0.28 0.411 0.019 1.23 1.0627 0.8448 1628273 Enamine_005076 Cc1csc(Nc2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G17 compound treatment 0.407 0.0105 0.39 0.406 0.014 0.9 0.9118 0.9278 2063229 Enamine_005077 OC(=O)Cn1c[n+](CC(=O)O)c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G18 compound treatment 0.401 0.0045 0.17 0.402 0.00997 0.65 0.573 0.8605 1490201 Enamine_005078 CC(NC(=O)c1ccco1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G19 compound treatment 0.427 0.0305 1.12 0.418 0.026 1.68 1.9803 0.9806 2063230 Enamine_005079 COc1ccc(cc1)c2nc3c4ccccc4[nH]c(=O)n3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G20 compound treatment 0.396 -5.0E-4 -0.02 0.401 0.00897 0.58 0.3974 0.6844 2063231 Enamine_005080 Cc1cc(C)cc(c1)C(=O)NCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G21 compound treatment 0.389 -0.0075 -0.28 0.388 -0.00403 -0.26 -0.3792 -0.9996 2063232 Enamine_005081 Cc1[nH]c2ccccc2c1C(=O)COC(=O)C3CCC(=O)N3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G22 compound treatment 0.396 -5.0E-4 -0.02 0.401 0.00897 0.58 0.3974 0.6844 2063233 Enamine_005082 Brc1ccccc1C(=O)CSC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G23 mock treatment 0.391 -0.0055 -0.2 0.392 -3.12E-5 0.0 -0.1442 -0.7142 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 G24 mock treatment 0.395 -0.0015 -0.06 0.392 -3.12E-5 0.0 -0.0404 -0.7326 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H01 compound treatment 0.406 0.0095 0.35 0.4 0.00797 0.52 0.6113 0.9819 1232854 Enamine_005083 Cc1ccc(NC(=O)c2c(N)n(CC=C)c3nc4ccccc4nc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H02 compound treatment 0.543 0.146 5.38 0.563 0.171 11.06 11.6273 0.9451 2063234 Enamine_005084 Cc1cccc(n1)N2C(=O)/C(=C/Nc3ccccc3)/c4ccccc4C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H03 compound treatment 0.399 0.0025 0.09 0.396 0.00397 0.26 0.2465 0.9039 2063235 Enamine_005085 ClCN1C(=O)c2ccccc2S1(=O)=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H04 compound treatment 0.397 5.0E-4 0.02 0.394 0.00197 0.13 0.1031 0.8007 1205524 Enamine_005086 OC(=O)c1ccc2[nH]c3CCCCc3c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H05 compound treatment 0.398 0.0015 0.06 0.399 0.00697 0.45 0.3578 0.7876 2063236 Enamine_005087 OC(=O)/C=C/c1cccc(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H06 compound treatment 0.399 0.0025 0.09 0.392 -3.12E-5 0.0 0.0635 0.6914 2063237 Enamine_005088 Cc1nn(C)c2nc(cc(c12)C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H07 compound treatment 0.457 0.0605 2.22 0.462 0.07 4.53 4.7726 0.9463 1549228 Enamine_005089 N(C(c1ccccc1)c2ccccc2)c3nccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H08 compound treatment 0.405 0.0085 0.31 0.399 0.00697 0.45 0.5396 0.9839 2063238 Enamine_005090 Cn1nc(cc1n2cnc3ccccc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H09 compound treatment 0.399 0.0025 0.09 0.396 0.00397 0.26 0.2465 0.9039 1483944 Enamine_005091 CC(=O)Nc1cc(Cl)ccc1Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H10 compound treatment 0.396 -5.0E-4 -0.02 0.401 0.00897 0.58 0.3974 0.6844 2063239 Enamine_005092 Cc1cc(NC(=O)c2cccs2)n(n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H11 compound treatment 0.398 0.0015 0.06 0.403 0.011 0.71 0.5409 0.7597 2063240 Enamine_005093 CC(C)(CCl)Nc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H12 compound treatment 0.388 -0.0085 -0.31 0.393 9.69E-4 0.06 -0.1764 -0.554 2063241 Enamine_005094 Oc1ccc(F)cc1C(=O)c2cn[nH]c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H13 compound treatment 0.406 0.0095 0.35 0.396 0.00397 0.26 0.4283 0.9887 1039834 Enamine_005095 CCOC(=S)NC(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H14 compound treatment 0.436 0.0395 1.45 0.429 0.037 2.39 2.7173 0.9713 1489437 Enamine_005096 Clc1ccc(CNC(=O)CC(=O)NCc2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H15 compound treatment 0.402 0.0055 0.2 0.403 0.011 0.71 0.6447 0.8736 1506648 Enamine_005097 CC1CCCC(C)N1C(=O)CSCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H16 compound treatment 0.406 0.0095 0.35 0.413 0.021 1.36 1.2062 0.8609 2063242 Enamine_005098 Brc1ccccc1N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H17 compound treatment 0.422 0.0255 0.94 0.419 0.027 1.75 1.8962 0.9574 2063243 Enamine_005099 CCCCc1ccc(cc1)N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H18 compound treatment 0.432 0.0355 1.3 0.445 0.053 3.43 3.3456 0.9123 2063244 Enamine_005100 O=C(Nc1nnc(s1)C2CC2)C(c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H19 compound treatment 0.402 0.0055 0.2 0.407 0.015 0.97 0.8278 0.8366 2063245 Enamine_005101 Nc1cc(ccc1Oc2ccc(Br)cc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H20 compound treatment 0.398 0.0015 0.06 0.394 0.00197 0.13 0.129 0.9297 1005066 Enamine_005102 CCOc1ccc(OCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H21 compound treatment 0.414 0.0175 0.64 0.414 0.022 1.42 1.4597 0.9356 2063246 Enamine_005103 COc1ccc(CCN2C(=O)C=CC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H22 compound treatment 0.395 -0.0015 -0.06 0.398 0.00597 0.39 0.2342 0.6002 1015321 Enamine_005104 COC(=O)c1[nH]c(C)c(C(=O)OC)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H23 mock treatment 0.401 0.0045 0.17 0.4 0.00797 0.52 0.4815 0.8892 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 H24 mock treatment 0.402 0.0055 0.2 0.39 -0.00203 -0.13 0.0499 0.2069 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I01 compound treatment 0.403 0.0065 0.24 0.401 0.00897 0.58 0.5792 0.9229 2063247 Enamine_005105 CC(O)C(=O)NC1(CCCC1)C(=O)Nc2c(C)cccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I02 compound treatment 0.405 0.0085 0.31 0.409 0.017 1.1 0.9972 0.8735 2063248 Enamine_005106 Fc1ccc(NC(=O)CC#N)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I03 compound treatment 0.458 0.0615 2.26 0.462 0.07 4.53 4.7986 0.9484 2063249 Enamine_005107 Fc1cccc(Oc2ncnc3scc(c4ccccc4)c23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I04 compound treatment 0.401 0.0045 0.17 0.398 0.00597 0.39 0.39 0.9282 1705175 Enamine_005108 O=S(=O)(Cc1nc2ccccc2[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I05 compound treatment 0.403 0.0065 0.24 0.406 0.014 0.9 0.808 0.8642 1670683 Enamine_005109 CC(Oc1ccccc1)C(=O)Nc2ccc(NC(=O)C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I06 compound treatment 0.409 0.0125 0.46 0.405 0.013 0.84 0.918 0.9597 1117232 Enamine_005110 CCNC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I07 compound treatment 0.406 0.0095 0.35 0.407 0.015 0.97 0.9316 0.9049 2063250 Enamine_005111 Clc1ccc(cc1)C(=O)NC2CC(=O)NC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I08 compound treatment 0.413 0.0165 0.61 0.411 0.019 1.23 1.2964 0.9471 1700514 Enamine_005112 CN(C(=O)CSCc1ccco1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I09 compound treatment 0.413 0.0165 0.61 0.404 0.012 0.77 0.9761 0.9926 1443630 Enamine_005113 CCOc1ccc(CC#N)cc1OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I10 compound treatment 0.407 0.0105 0.39 0.409 0.017 1.1 1.0491 0.9014 1620747 Enamine_005114 CCN1CCN(CCC(=O)Nc2ccc(cc2)c3ccccc3)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I11 compound treatment 0.406 0.0095 0.35 0.409 0.017 1.1 1.0231 0.888 2063251 Enamine_005115 Cc1ccc(NC(=O)CN(CCO)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I12 compound treatment 0.416 0.0195 0.72 0.42 0.028 1.81 1.7861 0.9177 1558953 Enamine_005116 COc1cccc(c1)C(=O)OCC(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I13 compound treatment 0.459 0.0625 2.3 0.46 0.068 4.4 4.733 0.954 2063252 Enamine_005117 Cc1cc(C(=O)O)c(C)n1c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I14 compound treatment 0.412 0.0155 0.57 0.407 0.015 0.97 1.0874 0.9679 1021586 Enamine_005118 CCCc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I15 compound treatment 0.394 -0.0025 -0.09 0.402 0.00997 0.65 0.3912 0.6004 1071434 Enamine_005119 CC1(C)CC(=O)C=C(C1)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I16 compound treatment 0.401 0.0045 0.17 0.404 0.012 0.77 0.6645 0.8391 1063841 Enamine_005120 Cc1ccc(cc1)S(=O)(=O)CCC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I17 compound treatment 0.414 0.0175 0.64 0.409 0.017 1.1 1.2309 0.9674 1019064 Enamine_005121 NC(=O)CC(NC(=O)c1ccccc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I18 compound treatment 0.467 0.0705 2.59 0.456 0.064 4.14 4.7577 0.9745 1435745 Enamine_005122 CC(=O)Oc1ccc(cc1Cl)c2ccc(cc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I19 compound treatment 0.399 0.0025 0.09 0.406 0.014 0.9 0.7041 0.7749 2063253 Enamine_005123 O=C(Cc1nc2ccccc2[nH]1)NCc3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I20 compound treatment 0.412 0.0155 0.57 0.414 0.022 1.42 1.4077 0.9193 2063254 Enamine_005124 Cc1cc(Nc2ccccc2)n(n1)c3ccccc3C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I21 compound treatment 0.406 0.0095 0.35 0.402 0.00997 0.65 0.7028 0.9583 2063255 Enamine_005125 Cc1cnc(cn1)C(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I22 compound treatment 0.409 0.0125 0.46 0.41 0.018 1.16 1.1468 0.9174 2063256 Enamine_005126 Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(n1)c4ccccc4C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I23 mock treatment 0.405 0.0085 0.31 0.4 0.00797 0.52 0.5853 0.9711 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 I24 mock treatment 0.407 0.0105 0.39 0.396 0.00397 0.26 0.4543 0.9805 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J01 compound treatment 0.399 0.0025 0.09 0.401 0.00897 0.58 0.4753 0.8089 2063257 Enamine_005127 OCCNc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J02 compound treatment 0.47 0.0735 2.7 0.457 0.065 4.2 4.8814 0.977 2063258 Enamine_005128 CN1C(=O)/C(=C(/C#N)\C(=O)NCc2ccc(Cl)cc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J03 compound treatment 0.431 0.0345 1.27 0.421 0.029 1.87 2.2214 0.9818 2063259 Enamine_005129 Cc1ccc(cc1)c2nnc(O)c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J04 compound treatment 0.396 -5.0E-4 -0.02 0.394 0.00197 0.13 0.0771 0.599 2063260 Enamine_005130 O=S(=O)(/C=C/c1ccccc1)N2CCNCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J05 compound treatment 0.397 5.0E-4 0.02 0.4 0.00797 0.52 0.3776 0.7318 1376575 Enamine_005131 OC(=O)c1cccc(c1)N2C(=O)CCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J06 compound treatment 0.401 0.0045 0.17 0.411 0.019 1.23 0.9848 0.7951 2063261 Enamine_005132 Cc1nn(c2ccccc2)c3nc(C)cc(c13)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J07 compound treatment 0.397 5.0E-4 0.02 0.396 0.00397 0.26 0.1946 0.7557 2063262 Enamine_005133 Cc1nnc(NC(C)(C)CCl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J08 compound treatment 0.4 0.0035 0.13 0.399 0.00697 0.45 0.4098 0.8738 2063263 Enamine_005134 CSc1ccc(/C=C/C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J09 compound treatment 0.402 0.0055 0.2 0.399 0.00697 0.45 0.4617 0.9344 1436232 Enamine_005135 CCOC(=O)c1cc2ccccc2cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J10 compound treatment 0.395 -0.0015 -0.06 0.398 0.00597 0.39 0.2342 0.6002 1639104 Enamine_005136 O=C(Cn1cnc2ccccc12)OCC(=O)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J11 compound treatment 0.399 0.0025 0.09 0.4 0.00797 0.52 0.4296 0.8201 1258677 Enamine_005137 CN(C)CC(C)(O)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J12 compound treatment 0.404 0.0075 0.28 0.406 0.014 0.9 0.8339 0.8825 2063264 Enamine_005138 CCOc1ccc(NC(=O)c2ccc(NCC(=O)N3CCCCCC3)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J13 compound treatment 0.412 0.0155 0.57 0.423 0.031 2.0 1.8196 0.8734 1029307 Enamine_005139 Brc1ccc(cc1)S(=O)(=O)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J14 compound treatment 0.393 -0.0035 -0.13 0.397 0.00497 0.32 0.1365 0.3941 1033059 Enamine_005140 Cc1ccc(NCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J15 compound treatment 0.393 -0.0035 -0.13 0.39 -0.00203 -0.13 -0.1838 -0.9999 2063265 Enamine_005141 CC(NC(=O)c1ccc(C#N)cc1)C(N2CCCC2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J16 compound treatment 0.391 -0.0055 -0.2 0.395 0.00297 0.19 -0.007 -0.025 1036013 Enamine_005142 NNS(=O)(=O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J17 compound treatment 0.414 0.0175 0.64 0.41 0.018 1.16 1.2766 0.9609 2063266 Enamine_005143 COc1ccc(cc1OC)N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J18 compound treatment 0.4 0.0035 0.13 0.402 0.00997 0.65 0.547 0.8316 2063267 Enamine_005144 OC1CCC(CC1)NC(=O)/C=C/c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J19 compound treatment 0.409 0.0125 0.46 0.408 0.016 1.03 1.0553 0.9333 2063268 Enamine_005145 FC(F)(F)c1ccccc1N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J20 compound treatment 0.401 0.0045 0.17 0.395 0.00297 0.19 0.2527 0.9972 2063269 Enamine_005146 CCN(CC)c1cccc(n1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J21 compound treatment 0.404 0.0075 0.28 0.409 0.017 1.1 0.9712 0.8579 2063270 Enamine_005147 O=C1C=CC(=O)N1CC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J22 compound treatment 0.395 -0.0015 -0.06 0.391 -0.00103 -0.07 -0.0861 -0.9955 2063271 Enamine_005148 Nc1ccc(F)cc1S(=O)(=O)Nc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J23 mock treatment 0.393 -0.0035 -0.13 0.387 -0.00503 -0.33 -0.3211 -0.9174 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 J24 mock treatment 0.392 -0.0045 -0.17 0.387 -0.00503 -0.33 -0.3471 -0.9506 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K01 compound treatment 0.397 5.0E-4 0.02 0.408 0.016 1.03 0.7437 0.7196 2063272 Enamine_005149 CCc1nc2ccccc2n1CC(=O)Nc3ccccc3C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K02 compound treatment 0.413 0.0165 0.61 0.404 0.012 0.77 0.9761 0.9926 2063273 Enamine_005150 Cc1nc(c(CC(=O)O)s1)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K03 compound treatment 0.396 -5.0E-4 -0.02 0.397 0.00497 0.32 0.2144 0.6656 1137389 Enamine_005151 Clc1cccc(Cl)c1C(=O)OCC(=O)N2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K04 compound treatment 0.411 0.0145 0.53 0.412 0.02 1.29 1.2902 0.9232 2063274 Enamine_005152 O=c1[nH]c(CC#N)nc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K05 compound treatment 0.406 0.0095 0.35 0.412 0.02 1.29 1.1604 0.867 1623034 Enamine_005153 O=C(COc1ncnc2ccccc12)NCC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K06 compound treatment 0.405 0.0085 0.31 0.416 0.024 1.55 1.3175 0.8327 2063275 Enamine_005154 COc1ccc(OCCBr)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K07 compound treatment 0.418 0.0215 0.79 0.422 0.03 1.94 1.9296 0.9215 2063276 Enamine_005155 COc1cc(Cl)c(C)cc1NCC(=O)Nc2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K08 compound treatment 0.408 0.0115 0.42 0.403 0.011 0.71 0.8005 0.9692 2063277 Enamine_005156 Cc1cccc2nc(CSc3nnc4ccccn34)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K09 compound treatment 0.405 0.0085 0.31 0.411 0.019 1.23 1.0887 0.8596 2063278 Enamine_005157 Cc1ccc(cc1C)C(=O)CBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K10 compound treatment 0.414 0.0175 0.64 0.415 0.023 1.49 1.5054 0.9297 2063279 Enamine_005158 CC(C)CCN1C(=O)C=CC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K11 compound treatment 0.434 0.0375 1.38 0.443 0.051 3.3 3.306 0.925 2063280 Enamine_005159 OC(=O)CSc1nc2cc(ccc2n1Cc3ccccc3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K12 compound treatment 0.447 0.0505 1.85 0.441 0.049 3.17 3.552 0.9674 2063281 Enamine_005160 CC(C)C(NC(=O)c1ccccc1)C(=O)Nc2nc3ccc(Cl)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K13 compound treatment 0.386 -0.0105 -0.39 0.404 0.012 0.77 0.275 0.3179 2063282 Enamine_005161 OC(=O)CCCSc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K14 compound treatment 0.411 0.0145 0.53 0.407 0.015 0.97 1.0615 0.9603 1368030 Enamine_005162 OC(=O)c1ccccc1C(=O)N2CCN(CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K15 compound treatment 0.398 0.0015 0.06 0.398 0.00597 0.39 0.3121 0.7999 2063283 Enamine_005163 Cc1cccc(OCCBr)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K16 compound treatment 0.4 0.0035 0.13 0.412 0.02 1.29 1.0046 0.7736 2063284 Enamine_005164 C1CCC(=Nc2ccccn2)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K17 compound treatment 0.398 0.0015 0.06 0.398 0.00597 0.39 0.3121 0.7999 1556984 Enamine_005165 Cc1ccc(cc1C)C(=O)NCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K18 compound treatment 0.403 0.0065 0.24 0.404 0.012 0.77 0.7164 0.884 2063285 Enamine_005166 CC(C)Sc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K19 compound treatment 0.396 -5.0E-4 -0.02 0.39 -0.00203 -0.13 -0.1059 -0.7981 2063286 Enamine_005167 OC(=O)CCC(=O)c1ccc(Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K20 compound treatment 0.399 0.0025 0.09 0.401 0.00897 0.58 0.4753 0.8089 2063287 Enamine_005168 CC(NC(=O)c1ccc(C)s1)C(N2CCCC2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K21 compound treatment 0.4 0.0035 0.13 0.402 0.00997 0.65 0.547 0.8316 1286444 Enamine_005169 Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(Cl)cc3)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K22 compound treatment 0.402 0.0055 0.2 0.404 0.012 0.77 0.6905 0.8627 2063288 Enamine_005170 COC(=O)c1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K23 mock treatment 0.393 -0.0035 -0.13 0.394 0.00197 0.13 -8.0E-4 -0.0044 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 K24 mock treatment 0.399 0.0025 0.09 0.398 0.00597 0.39 0.338 0.8515 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L01 compound treatment 0.432 0.0355 1.3 0.429 0.037 2.39 2.6134 0.9593 2063289 Enamine_005171 CC(=O)Oc1c(Cl)cc(cc1Cl)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L02 compound treatment 0.404 0.0075 0.28 0.405 0.013 0.84 0.7882 0.8923 2063290 Enamine_005172 COc1ccccc1OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L03 compound treatment 0.404 0.0075 0.28 0.403 0.011 0.71 0.6967 0.915 2063291 Enamine_005173 O=C(CC#N)Nc1ccc2OCCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L04 compound treatment 0.399 0.0025 0.09 0.403 0.011 0.71 0.5668 0.792 1310970 Enamine_005174 Clc1ccc(Cl)c(c1)S(=O)(=O)N2CCNCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L05 compound treatment 0.402 0.0055 0.2 0.411 0.019 1.23 1.0108 0.8125 1211876 Enamine_005175 OC(=O)C1CCCCC1C(=O)N2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L06 compound treatment 0.406 0.0095 0.35 0.403 0.011 0.71 0.7486 0.9465 2063292 Enamine_005176 Clc1ccc(cc1)c2nc3c4ccccc4[nH]c(=O)n3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L07 compound treatment 0.329 -0.0675 -2.48 0.329 -0.063 -4.08 -4.6369 -0.9715 1712788 Enamine_005177 Oc1ccccc1C(=O)Nc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L08 compound treatment 0.403 0.0065 0.24 0.394 0.00197 0.13 0.2589 0.9568 1003865 Enamine_005178 ClCC1CCCO1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L09 compound treatment 0.41 0.0135 0.5 0.407 0.015 0.97 1.0355 0.9516 2063293 Enamine_005179 CCC(C)(C)c1cnc(NC(=O)C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L10 compound treatment 0.399 0.0025 0.09 0.401 0.00897 0.58 0.4753 0.8089 2063294 Enamine_005180 O=S(=O)(Nc1nc2ccccc2[nH]1)c3ccc4ccccc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L11 compound treatment 0.449 0.0525 1.93 0.46 0.068 4.4 4.4734 0.9315 1241470 Enamine_005181 CCOC(=O)C1=C(C)NC2=C(C1C)C(=O)CC(C)(C)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L12 compound treatment 0.397 5.0E-4 0.02 0.402 0.00997 0.65 0.4691 0.7269 2063295 Enamine_005182 CC(Nc1ccc(C)cc1)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L13 compound treatment 0.365 -0.0315 -1.16 0.367 -0.025 -1.62 -1.9633 -0.9864 1111243 Enamine_005183 Oc1ccc(Cl)cc1C(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L14 compound treatment 0.398 0.0015 0.06 0.399 0.00697 0.45 0.3578 0.7876 1189584 Enamine_005184 O=C(CC(=O)NC1CCCCC1)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L15 compound treatment 0.408 0.0115 0.42 0.413 0.021 1.36 1.2581 0.8853 2063296 Enamine_005185 COc1ccccc1[n+]2cc(O)on2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L16 compound treatment 0.425 0.0285 1.05 0.438 0.046 2.97 2.8435 0.9017 1220330 Enamine_005186 C(Cc1ccccc1)Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L17 compound treatment 0.457 0.0605 2.22 0.468 0.076 4.92 5.0472 0.9356 2063297 Enamine_005187 Cc1sc2nc(CCl)[nH]c(=O)c2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L18 compound treatment 0.402 0.0055 0.2 0.399 0.00697 0.45 0.4617 0.9344 2063298 Enamine_005188 CCN(Cc1ccccc1)C(=O)Cn2c(nc3ccccc23)C(C)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L19 compound treatment 0.423 0.0265 0.97 0.423 0.031 2.0 2.1052 0.945 2063299 Enamine_005189 Clc1ccc(CN2C(=O)C=CC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L20 compound treatment 0.404 0.0075 0.28 0.402 0.00997 0.65 0.6509 0.928 2063300 Enamine_005190 OC(=O)c1ccccc1NC(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L21 compound treatment 0.406 0.0095 0.35 0.411 0.019 1.23 1.1147 0.8735 2063301 Enamine_005191 O=C1Cc2ccccc2C(=O)N1Cc3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L22 compound treatment 0.399 0.0025 0.09 0.399 0.00697 0.45 0.3838 0.834 2063302 Enamine_005192 COc1ccc2c(CCl)cc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L23 mock treatment 0.401 0.0045 0.17 0.401 0.00897 0.58 0.5272 0.8737 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 L24 mock treatment 0.396 -5.0E-4 -0.02 0.396 0.00397 0.26 0.1686 0.6549 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M01 compound treatment 0.395 -0.0015 -0.06 0.398 0.00597 0.39 0.2342 0.6002 2063303 Enamine_005193 Cc1cc(C)cc(NS(=O)(=O)CC2(CCC3CC2=O)C3(C)C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M02 compound treatment 0.408 0.0115 0.42 0.403 0.011 0.71 0.8005 0.9692 2063304 Enamine_005194 CCCc1ccc(cc1)C(=O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M03 compound treatment 0.405 0.0085 0.31 0.408 0.016 1.03 0.9514 0.8814 1283079 Enamine_005195 Clc1cnc(NC(=O)COC(=O)C2CC3CC2C=C3)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M04 compound treatment 0.409 0.0125 0.46 0.398 0.00597 0.39 0.5977 0.9963 2063305 Enamine_005196 OC(=O)CCc1nc2cc(ccc2n(Cc3ccccc3)c1=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M05 compound treatment 0.449 0.0525 1.93 0.446 0.054 3.49 3.8327 0.9608 2063306 Enamine_005197 FC(F)(F)c1cccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)s2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M06 compound treatment 0.403 0.0065 0.24 0.41 0.018 1.16 0.991 0.8349 2063307 Enamine_005198 Cc1cc(NC(=O)c2ccc(C#N)cc2)n(n1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M07 compound treatment 0.422 0.0255 0.94 0.417 0.025 1.62 1.8047 0.9664 2063308 Enamine_005199 Cc1c(CCl)cc(cc1CCl)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M08 compound treatment 0.41 0.0135 0.5 0.402 0.00997 0.65 0.8067 0.9915 1318755 Enamine_005200 O=C(CSCc1ccco1)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M09 compound treatment 0.396 -5.0E-4 -0.02 0.399 0.00697 0.45 0.3059 0.6778 1090051 Enamine_005201 Clc1ccc(NC2=NCCS2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M10 compound treatment 0.444 0.0475 1.74 0.433 0.041 2.65 3.1081 0.9794 1588688 Enamine_005202 Oc1c(cc(Cl)c2cccnc12)C(N3CCOCC3)c4ccc(Cl)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M11 compound treatment 0.443 0.0465 1.71 0.431 0.039 2.52 2.9906 0.982 2063309 Enamine_005203 CCCc1ccc(cc1)c2cc(N)n(n2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M12 compound treatment 0.461 0.0645 2.37 0.448 0.056 3.62 4.2359 0.9788 2063310 Enamine_005204 Cc1sc(NC(=O)COc2cccc(F)c2)c(C#N)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M13 compound treatment 0.397 5.0E-4 0.02 0.402 0.00997 0.65 0.4691 0.7269 2063311 Enamine_005205 O=S(=O)(Cc1nc2ccccc2s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M14 compound treatment 0.402 0.0055 0.2 0.404 0.012 0.77 0.6905 0.8627 2063312 Enamine_005206 CC1Cc2ccccc2N1C(=O)CC(=O)N3C(C)Cc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M15 compound treatment 0.397 5.0E-4 0.02 0.397 0.00497 0.32 0.2403 0.7463 2063313 Enamine_005207 Clc1ccccc1OCCBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M16 compound treatment 0.407 0.0105 0.39 0.408 0.016 1.03 1.0033 0.9097 2063314 Enamine_005208 CCn1c(CCl)nc2cc(ccc12)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M17 compound treatment 0.521 0.125 4.57 0.523 0.131 8.48 9.2257 0.958 2063315 Enamine_005209 O=C(/C=C/1\Nc2ccccc2NC1=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M18 compound treatment 0.408 0.0115 0.42 0.414 0.022 1.42 1.3039 0.8792 1027856 Enamine_005210 COc1ccc2nc(cc(C(=O)O)c2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M19 compound treatment 0.398 0.0015 0.06 0.398 0.00597 0.39 0.3121 0.7999 2063316 Enamine_005211 CCOc1ccc(OCCBr)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M20 compound treatment 0.397 5.0E-4 0.02 0.398 0.00597 0.39 0.2861 0.7399 2063317 Enamine_005212 FC(F)(F)c1cccc(c1)C(=O)CSC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M21 compound treatment 0.485 0.0885 3.25 0.484 0.092 5.95 6.5063 0.9595 2063318 Enamine_005213 O=C(Nc1ccc(Nc2ccccc2)cc1)c3cc(=O)c4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M22 compound treatment 0.414 0.0175 0.64 0.425 0.033 2.13 1.963 0.881 2063319 Enamine_005214 COc1ccccc1/C=C\2/SC(=S)NC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M23 mock treatment 0.396 -5.0E-4 -0.02 0.391 -0.00103 -0.07 -0.0602 -0.8694 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 M24 mock treatment 0.391 -0.0055 -0.2 0.385 -0.00703 -0.46 -0.4646 -0.9332 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N01 compound treatment 0.396 -5.0E-4 -0.02 0.405 0.013 0.84 0.5804 0.6915 1049534 Enamine_005215 Fc1ccc(cc1)S(=O)(=O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N02 compound treatment 0.393 -0.0035 -0.13 0.393 9.69E-4 0.06 -0.0466 -0.3256 1558708 Enamine_005216 Fc1ccc(CNC(=O)COC(=O)C2CC3CC2C=C3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N03 compound treatment 0.4 0.0035 0.13 0.393 9.69E-4 0.06 0.1352 0.9455 2063320 Enamine_005217 N/C(=N/O)/CC(=O)Nc1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N04 compound treatment 0.399 0.0025 0.09 0.399 0.00697 0.45 0.3838 0.834 2063321 Enamine_005218 CCOC(=O)c1cc(nn1c2ccc(F)cc2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N05 compound treatment 0.397 5.0E-4 0.02 0.404 0.012 0.77 0.5607 0.7237 2063322 Enamine_005219 FC(F)(F)C1=CN2C(=NCCS2(=O)=O)C(=C1)Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N06 compound treatment 0.407 0.0105 0.39 0.403 0.011 0.71 0.7746 0.9589 2063323 Enamine_005220 Cc1nn(C)c2nc(cc(c12)C(F)(F)F)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N07 compound treatment 0.397 5.0E-4 0.02 0.4 0.00797 0.52 0.3776 0.7318 2063324 Enamine_005221 CC(C)(Br)C(=O)Nc1nccs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N08 compound treatment 0.389 -0.0075 -0.28 0.394 0.00197 0.13 -0.1047 -0.3449 2063325 Enamine_005222 CN(C1CCCCC1)C(=O)COc2ccc3ccc(=O)oc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N09 compound treatment 0.394 -0.0025 -0.09 0.396 0.00397 0.26 0.1167 0.4278 2063326 Enamine_005223 CC(C)c1sc(NC(=O)C)nc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N10 compound treatment 0.4 0.0035 0.13 0.397 0.00497 0.32 0.3182 0.9191 2063327 Enamine_005224 CCCc1nc2ccccc2n1CC(=O)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N11 compound treatment 0.397 5.0E-4 0.02 0.396 0.00397 0.26 0.1946 0.7557 1060390 Enamine_005225 Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N12 compound treatment 0.399 0.0025 0.09 0.397 0.00497 0.32 0.2923 0.8741 2063328 Enamine_005226 CCN(CC)c1ccc(NC(C)C(=O)Nc2ccc(C)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N13 compound treatment 0.443 0.0465 1.71 0.432 0.04 2.59 3.0363 0.9797 1217396 Enamine_005227 O=C(Nc1nc2ccccc2s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N14 compound treatment 0.401 0.0045 0.17 0.401 0.00897 0.58 0.5272 0.8737 2063329 Enamine_005228 C(Cc1ccccc1)NC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N15 compound treatment 0.396 -5.0E-4 -0.02 0.405 0.013 0.84 0.5804 0.6915 2063330 Enamine_005229 CN(Cc1ccccc1)C(=O)CC(=O)N(C)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N16 compound treatment 0.399 0.0025 0.09 0.401 0.00897 0.58 0.4753 0.8089 1146910 Enamine_005230 O=C(CC#N)NCCN1CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N17 compound treatment 0.404 0.0075 0.28 0.405 0.013 0.84 0.7882 0.8923 2063331 Enamine_005231 OC(=O)C1CCCN(C1)C(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N18 compound treatment 0.394 -0.0025 -0.09 0.403 0.011 0.71 0.437 0.6106 2063332 Enamine_005232 Nc1cc(ccc1C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N19 compound treatment 0.401 0.0045 0.17 0.399 0.00697 0.45 0.4357 0.9072 2063333 Enamine_005233 CCOc1ccc(Oc2ccc(cc2N)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N20 compound treatment 0.393 -0.0035 -0.13 0.398 0.00597 0.39 0.1822 0.4477 2063334 Enamine_005234 CNCc1cn2cc(Cl)ccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N21 compound treatment 0.398 0.0015 0.06 0.395 0.00297 0.19 0.1748 0.8746 2063335 Enamine_005235 Cc1ccc(s1)C(=O)NCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N22 compound treatment 0.393 -0.0035 -0.13 0.394 0.00197 0.13 -8.0E-4 -0.0044 1138396 Enamine_005236 Cc1nc2cc(ccc2n1c3ccccc3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N23 mock treatment 0.397 5.0E-4 0.02 0.395 0.00297 0.19 0.1488 0.7712 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 N24 mock treatment 0.393 -0.0035 -0.13 0.394 0.00197 0.13 -8.0E-4 -0.0044 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O01 compound treatment 0.39 -0.0065 -0.24 0.386 -0.00603 -0.39 -0.4448 -0.9722 2063336 Enamine_005237 Cc1ccc(NS(=O)(=O)CC2(CCC3CC2=O)C3(C)C)c(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O02 compound treatment 0.404 0.0075 0.28 0.413 0.021 1.36 1.1542 0.8336 2063337 Enamine_005238 OC(=O)CCCOc1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O03 compound treatment 0.426 0.0295 1.08 0.419 0.027 1.75 2.0 0.9737 2063338 Enamine_005239 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)NCc2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O04 compound treatment 0.401 0.0045 0.17 0.398 0.00597 0.39 0.39 0.9282 2063339 Enamine_005240 Nc1cc(ccc1NCc2ccccc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O05 compound treatment 0.404 0.0075 0.28 0.401 0.00897 0.58 0.6051 0.942 2063340 Enamine_005241 Cc1cc(C(=O)COc2ccc(F)cc2)c(C)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O06 compound treatment 0.432 0.0355 1.3 0.438 0.046 2.97 3.0253 0.9315 2063341 Enamine_005242 Cc1cc(Nc2ccccc2)n(n1)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O07 compound treatment 0.398 0.0015 0.06 0.399 0.00697 0.45 0.3578 0.7876 2063342 Enamine_005243 COc1ccc2cc(ccc2c1)C(=O)CBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O08 compound treatment 0.408 0.0115 0.42 0.391 -0.00103 -0.07 0.2514 0.5881 1526486 Enamine_005244 O=C(Cc1cn2ccsc2n1)OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O09 compound treatment 0.398 0.0015 0.06 0.4 0.00797 0.52 0.4036 0.7782 2063343 Enamine_005245 Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O10 compound treatment 0.397 5.0E-4 0.02 0.394 0.00197 0.13 0.1031 0.8007 1431219 Enamine_005246 CCC(CO)NC1=CC(=O)CCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O11 compound treatment 0.4 0.0035 0.13 0.398 0.00597 0.39 0.364 0.8942 1864331 Enamine_005247 CCOC(=O)c1ccc(cc1)N2C(=O)Cc3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O12 compound treatment 0.4 0.0035 0.13 0.393 9.69E-4 0.06 0.1352 0.9455 2063344 Enamine_005248 CCC1CCCCN1C(=O)CC(=O)N2CCCCC2CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O13 compound treatment 0.391 -0.0055 -0.2 0.405 0.013 0.84 0.4506 0.522 2063345 Enamine_005249 OC(=O)CCCOc1cccc(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O14 compound treatment 0.437 0.0405 1.49 0.434 0.042 2.72 2.9721 0.9598 1045433 Enamine_005250 NNc1ccccn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O15 compound treatment 0.394 -0.0025 -0.09 0.397 0.00497 0.32 0.1624 0.4858 2063346 Enamine_005251 BrCCOc1cccc(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O16 compound treatment 0.394 -0.0025 -0.09 0.405 0.013 0.84 0.5285 0.626 2063347 Enamine_005252 Nc1cc(Cl)ccc1NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O17 compound treatment 0.398 0.0015 0.06 0.393 9.69E-4 0.06 0.0833 0.9979 2063348 Enamine_005253 Cc1cc(O)n(Cc2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O18 compound treatment 0.397 5.0E-4 0.02 0.398 0.00597 0.39 0.2861 0.7399 2063349 Enamine_005254 Cc1cccc(OCCCC(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O19 compound treatment 0.39 -0.0065 -0.24 0.392 -3.12E-5 0.0 -0.1702 -0.7131 2063350 Enamine_005255 O=C(COc1ccccc1)NCc2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O20 compound treatment 0.4 0.0035 0.13 0.394 0.00197 0.13 0.181 1.0 2063351 Enamine_005256 CC1(C)Cc2cccc(OCC(O)CNCc3ccccc3)c2O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O21 compound treatment 0.402 0.0055 0.2 0.394 0.00197 0.13 0.2329 0.9753 1274114 Enamine_005257 COc1cccc(c1)C(=O)OCC(=O)c2ccc(cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O22 compound treatment 0.408 0.0115 0.42 0.413 0.021 1.36 1.2581 0.8853 2063352 Enamine_005258 O=C1NC(=S)SC1CNc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O23 mock treatment 0.399 0.0025 0.09 0.388 -0.00403 -0.26 -0.1195 -0.4323 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 O24 mock treatment 0.392 -0.0045 -0.17 0.39 -0.00203 -0.13 -0.2098 -0.9936 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P01 compound treatment 0.384 -0.0125 -0.46 0.393 9.69E-4 0.06 -0.2803 -0.6049 1428573 Enamine_005259 CCOc1ccc(cc1)C(=O)NCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P02 compound treatment 0.396 -5.0E-4 -0.02 0.399 0.00697 0.45 0.3059 0.6778 2063353 Enamine_005260 CSc1nc2ccccc2c(=O)n1c3ccc(F)cc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P03 compound treatment 0.4 0.0035 0.13 0.405 0.013 0.84 0.6843 0.806 2063354 Enamine_005261 CN(C1CCCCC1)C(=O)CC(=O)N(C)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P04 compound treatment 0.394 -0.0025 -0.09 0.396 0.00397 0.26 0.1167 0.4278 2063355 Enamine_005262 CCn1c(c(C(=O)CC#N)c2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P05 compound treatment 0.405 0.0085 0.31 0.402 0.00997 0.65 0.6769 0.9445 2063356 Enamine_005263 CCOC(=O)/C=C/1\NC(=O)C(C)S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P06 compound treatment 0.402 0.0055 0.2 0.403 0.011 0.71 0.6447 0.8736 2063357 Enamine_005264 CCOC(=O)c1cc(nn1c2cccc(Cl)c2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P07 compound treatment 0.373 -0.0235 -0.86 0.379 -0.013 -0.84 -1.2065 -0.9999 1303534 Enamine_005265 Oc1ccccc1C(=O)Nc2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P08 compound treatment 0.394 -0.0025 -0.09 0.399 0.00697 0.45 0.254 0.5518 2063358 Enamine_005266 CCCSc1nc2ccccc2n1CC(=O)NCc3ccccc3OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P09 compound treatment 0.4 0.0035 0.13 0.404 0.012 0.77 0.6385 0.8133 2063359 Enamine_005267 Cc1nnc(NC2CCCC2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P10 compound treatment 0.396 -5.0E-4 -0.02 0.391 -0.00103 -0.07 -0.0602 -0.8694 2063360 Enamine_005268 CCC1CCCCN1C(=O)CNc2ccc(C)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P11 compound treatment 0.33 -0.0665 -2.44 0.325 -0.067 -4.34 -4.794 -0.9631 1113535 Enamine_005269 Cc1ccc(C)c(NC(=O)c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P12 compound treatment 0.392 -0.0045 -0.17 0.392 -3.12E-5 0.0 -0.1183 -0.7157 1005583 Enamine_005270 S=c1[nH]n(c2ccccc2)c(=S)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P13 compound treatment 0.401 0.0045 0.17 0.395 0.00297 0.19 0.2527 0.9972 1042861 Enamine_005271 O=S(=O)(CCC#N)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P14 compound treatment 0.401 0.0045 0.17 0.398 0.00597 0.39 0.39 0.9282 2063361 Enamine_005272 FC(F)(F)c1ccc(Cl)c(c1)N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P15 compound treatment 0.398 0.0015 0.06 0.397 0.00497 0.32 0.2663 0.8164 2063362 Enamine_005273 COc1cccc(Oc2ccc(cc2N)C(F)(F)F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P16 compound treatment 0.411 0.0145 0.53 0.399 0.00697 0.45 0.6954 0.9966 1070154 Enamine_005274 COc1ccccc1N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P17 compound treatment 0.39 -0.0065 -0.24 0.387 -0.00503 -0.33 -0.399 -0.9884 1185519 Enamine_005275 Oc1ccc2c(=O)c(Oc3ccccc3F)coc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P18 compound treatment 0.389 -0.0075 -0.28 0.4 0.00797 0.52 0.1699 0.2906 1029781 Enamine_005276 CCCC(C(=O)O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P19 compound treatment 0.412 0.0155 0.57 0.412 0.02 1.29 1.3162 0.9322 2063363 Enamine_005277 Fc1ccc(cc1Cl)N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P20 compound treatment 0.398 0.0015 0.06 0.398 0.00597 0.39 0.3121 0.7999 2063364 Enamine_005278 CCOC(=O)c1cc(nn1c2ccc(C)cc2C)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P21 compound treatment 0.411 0.0145 0.53 0.414 0.022 1.42 1.3818 0.9102 2063365 Enamine_005279 COc1ccc(OC)c(c1)N2C(=O)C=CC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P22 compound treatment 0.391 -0.0055 -0.2 0.392 -3.12E-5 0.0 -0.1442 -0.7142 1013577 Enamine_005280 OC(=O)CCC(=O)N1CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P23 mock treatment 0.401 0.0045 0.17 0.398 0.00597 0.39 0.39 0.9282 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1408 P24 mock treatment 0.396 -5.0E-4 -0.02 0.385 -0.00703 -0.46 -0.3347 -0.735 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A01 compound treatment 0.359 -0.0318 -1.17 0.365 -0.0261 -1.69 -2.0178 -0.9838 2063366 Enamine_005281 OC(=O)CCC(=O)c1ccc(I)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A02 compound treatment 0.393 0.00222 0.08 0.384 -0.00706 -0.46 -0.2656 -0.572 2063367 Enamine_005282 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N2CCNCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A03 compound treatment 0.392 0.00122 0.04 0.388 -0.00306 -0.2 -0.1085 -0.534 2063368 Enamine_005283 Cc1cc(N)n(n1)c2ccc(cc2)S(=O)(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A04 compound treatment 0.392 0.00122 0.04 0.39 -0.00106 -0.07 -0.017 -0.2069 2063369 Enamine_005284 CCc1cccc(OCC(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A05 compound treatment 0.389 -0.00178 -0.07 0.39 -0.00106 -0.07 -0.0949 -0.9997 2063370 Enamine_005285 OC(=O)CNC(=O)c1ccco1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A06 compound treatment 0.386 -0.00478 -0.18 0.387 -0.00406 -0.26 -0.31 -0.9807 2063371 Enamine_005286 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A07 compound treatment 0.395 0.00422 0.15 0.384 -0.00706 -0.46 -0.2136 -0.4427 2063372 Enamine_005287 CCCN(CCC)c1cccc(n1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A08 compound treatment 0.393 0.00222 0.08 0.388 -0.00306 -0.2 -0.0825 -0.3851 2063373 Enamine_005288 COC(=O)C1Cc2ccccc2CN1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A09 compound treatment 0.389 -0.00178 -0.07 0.396 0.00494 0.32 0.1797 0.5509 1473358 Enamine_005289 CSc1nc2ccccc2c(=O)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A10 compound treatment 0.379 -0.0118 -0.43 0.38 -0.0111 -0.72 -0.8121 -0.9709 2063374 Enamine_005290 COc1cc(/C=C/C(=O)O)cc(Br)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A11 compound treatment 0.383 -0.00778 -0.29 0.395 0.00394 0.25 -0.0219 -0.0571 2063375 Enamine_005291 CCCOc1c(Br)cc(cc1OC)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A12 compound treatment 0.397 0.00622 0.23 0.4 0.00894 0.58 0.5704 0.9174 2063376 Enamine_005292 Nc1nc(c(s1)c2nc3ccccc3[nH]2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A13 compound treatment 0.391 2.19E-4 0.01 0.39 -0.00106 -0.07 -0.0429 -0.6203 1739444 Enamine_005293 CCOc1ccc(cc1)N2CC(CC2=O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A14 compound treatment 0.389 -0.00178 -0.07 0.39 -0.00106 -0.07 -0.0949 -0.9997 2063377 Enamine_005294 N#Cc1ccc(COn2nnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A15 compound treatment 0.38 -0.0108 -0.4 0.385 -0.00606 -0.39 -0.5574 -1.0 2063378 Enamine_005295 Cc1ccc(cc1)c2csc(=S)n2CC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A16 compound treatment 0.391 2.19E-4 0.01 0.392 9.38E-4 0.06 0.0486 0.7938 2063379 Enamine_005296 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A17 compound treatment 0.391 2.19E-4 0.01 0.386 -0.00506 -0.33 -0.226 -0.6896 2063380 Enamine_005297 NCC(O)COCc1ccco1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A18 compound treatment 0.386 -0.00478 -0.18 0.391 -6.25E-5 0.0 -0.127 -0.7232 2063381 Enamine_005298 Fc1ccc(C(=O)OCc2c(Cl)nc3sccn23)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A19 compound treatment 0.39 -7.81E-4 -0.03 0.387 -0.00406 -0.26 -0.2062 -0.7796 2063382 Enamine_005299 OC(=O)c1cc(Cl)cc(Cl)c1NCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A20 compound treatment 0.406 0.0152 0.56 0.396 0.00494 0.32 0.6211 0.9648 2063383 Enamine_005300 Cc1nc2ccccc2c(C)c1C(=O)Nc3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A21 compound treatment 0.38 -0.0108 -0.4 0.386 -0.00506 -0.33 -0.5116 -0.9956 1510870 Enamine_005301 CCCOC(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A22 compound treatment 0.389 -0.00178 -0.07 0.39 -0.00106 -0.07 -0.0949 -0.9997 2063384 Enamine_005302 Oc1ccc(Cl)cc1C(=O)c2cnn(c2)C(=S)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A23 mock treatment 0.386 -0.00478 -0.18 0.386 -0.00506 -0.33 -0.3558 -0.9573 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 A24 mock treatment 0.36 -0.0308 -1.13 0.376 -0.0151 -0.97 -1.4885 -0.9973 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B01 compound treatment 0.403 0.0122 0.45 0.405 0.0139 0.9 0.955 0.948 2063385 Enamine_005303 CN1C(=O)/C(=C\c2c(C)nn(c2Cl)c3ccccc3)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B02 compound treatment 0.403 0.0122 0.45 0.403 0.0119 0.77 0.8635 0.9666 2063386 Enamine_005304 NC(=O)CSc1ccc(F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B03 compound treatment 0.409 0.0182 0.67 0.411 0.0199 1.29 1.3854 0.9532 1086827 Enamine_005305 CCOC(=O)Nc1cccc(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B04 compound treatment 0.408 0.0172 0.63 0.401 0.00994 0.64 0.9018 1.0 2063387 Enamine_005306 N#Cc1ccc(COc2cccc3cccnc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B05 compound treatment 0.414 0.0232 0.85 0.405 0.0139 0.9 1.2407 0.9996 2063388 Enamine_005307 CSc1nc2ccccc2n1CC(=O)N(C)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B06 compound treatment 0.405 0.0142 0.52 0.408 0.0169 1.1 1.1442 0.9425 2063389 Enamine_005308 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NC2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B07 compound treatment 0.408 0.0172 0.63 0.402 0.0109 0.71 0.9476 0.9984 2063390 Enamine_005309 OCc1nc2ccccc2n1CC(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B08 compound treatment 0.452 0.0612 2.25 0.444 0.0529 3.43 4.012 0.9791 2063391 Enamine_005310 CC(C)N(C(=O)CNc1cc(Cl)ccc1Cl)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B09 compound treatment 0.609 0.218 8.01 0.596 0.205 13.26 15.0439 0.9709 2063392 Enamine_005311 CC1(C)CC(=Cc2c(C#N)c(N)sc21)/C=C/c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B10 compound treatment 0.399 0.00822 0.3 0.403 0.0119 0.77 0.7596 0.9159 2063393 Enamine_005312 COC(=O)c1cn(nc1C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B11 compound treatment 0.404 0.0132 0.49 0.407 0.0159 1.03 1.0725 0.9409 2063394 Enamine_005313 CSc1nnc(c2ccncc2)n1Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B12 compound treatment 0.401 0.0102 0.38 0.409 0.0179 1.16 1.0861 0.8903 2063395 Enamine_005314 CNC(=O)CSc1nc(c([nH]1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B13 compound treatment 0.412 0.0212 0.78 0.407 0.0159 1.03 1.2802 0.9904 2063396 Enamine_005315 O=C(CSc1nc2ccccc2n1CCc3ccccc3)NC4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B14 compound treatment 0.427 0.0362 1.33 0.416 0.0249 1.61 2.0816 0.9954 2063397 Enamine_005316 CCCN1C(=O)/C(=N\O)/c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B15 compound treatment 0.354 -0.0368 -1.35 0.353 -0.0381 -2.46 -2.6967 -0.96 2063398 Enamine_005317 Oc1ccc(Cl)cc1C(=O)c2cc(C(=O)Nc3ccccc3)c(=O)n(c2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B16 compound treatment 0.412 0.0212 0.78 0.407 0.0159 1.03 1.2802 0.9904 2063399 Enamine_005318 Cc1cc(C)n(Cc2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B17 compound treatment 0.467 0.0762 2.8 0.439 0.0479 3.1 4.1727 0.9987 2063400 Enamine_005319 CC(C)c1ccc(NC(=O)COc2nncc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B18 compound treatment 0.404 0.0132 0.49 0.409 0.0179 1.16 1.164 0.9252 2063401 Enamine_005320 FC(F)(F)c1ccc(Cl)nc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B19 compound treatment 0.406 0.0152 0.56 0.41 0.0189 1.23 1.2617 0.9368 1546446 Enamine_005321 Cn1c(NN)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B20 compound treatment 0.395 0.00422 0.15 0.396 0.00494 0.32 0.3355 0.9448 2063402 Enamine_005322 Fc1ccc(Nc2ncnc3sccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B21 compound treatment 0.402 0.0112 0.41 0.405 0.0139 0.9 0.9291 0.937 2063403 Enamine_005323 CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B22 compound treatment 0.397 0.00622 0.23 0.397 0.00594 0.38 0.4332 0.9691 1462715 Enamine_005324 CCOC(=O)c1c(N)scc1C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B23 mock treatment 0.404 0.0132 0.49 0.396 0.00494 0.32 0.5692 0.9794 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 B24 mock treatment 0.393 0.00222 0.08 0.389 -0.00206 -0.13 -0.0368 -0.2351 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C01 compound treatment 0.376 -0.0148 -0.54 0.379 -0.0121 -0.78 -0.9358 -0.9842 1061568 Enamine_005325 CSc1nc2ccc(N)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C02 compound treatment 0.384 -0.00678 -0.25 0.378 -0.0131 -0.85 -0.7738 -0.8781 2063404 Enamine_005326 CCOC(=O)/C(=C(\C)/C1CC1)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C03 compound treatment 0.38 -0.0108 -0.4 0.378 -0.0131 -0.85 -0.8777 -0.9403 1005332 Enamine_005327 OC(=O)c1cc(Cl)nc(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C04 compound treatment 0.388 -0.00278 -0.1 0.385 -0.00606 -0.39 -0.3496 -0.8624 2063405 Enamine_005328 O=C1CSC(=N1)NC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C05 compound treatment 0.382 -0.00878 -0.32 0.375 -0.0161 -1.04 -0.963 -0.8849 2063406 Enamine_005329 Cc1ccc(cc1)S(=O)(=O)CCl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C06 compound treatment 0.381 -0.00978 -0.36 0.382 -0.00906 -0.59 -0.6687 -0.9723 1464302 Enamine_005330 CC(NCc1ccccc1)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C07 compound treatment 0.394 0.00322 0.12 0.395 0.00394 0.25 0.2638 0.939 2063407 Enamine_005331 Cc1sc2nc(CCl)nc(Cl)c2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C08 compound treatment 0.394 0.00322 0.12 0.389 -0.00206 -0.13 -0.0108 -0.0606 2063408 Enamine_005332 Cc1ccc(CN2C(=O)CSC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C09 compound treatment 0.385 -0.00578 -0.21 0.381 -0.0101 -0.65 -0.6106 -0.8915 2063409 Enamine_005333 Clc1ccc(NCC(=O)NCC2CCCO2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C10 compound treatment 0.384 -0.00678 -0.25 0.387 -0.00406 -0.26 -0.362 -0.9996 1463782 Enamine_005334 CCCCC1CCC(CC1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C11 compound treatment 0.381 -0.00978 -0.36 0.385 -0.00606 -0.39 -0.5314 -0.999 2063410 Enamine_005335 CN(C)c1ccc(cc1)C2NCC(CCl)O2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C12 compound treatment 0.394 0.00322 0.12 0.394 0.00294 0.19 0.218 0.9739 2063411 Enamine_005336 Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C13 compound treatment 0.387 -0.00378 -0.14 0.382 -0.00906 -0.59 -0.5129 -0.851 1696908 Enamine_005337 CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C14 compound treatment 0.425 0.0342 1.26 0.419 0.0279 1.81 2.1669 0.9842 2063412 Enamine_005338 CCc1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C15 compound treatment 0.376 -0.0148 -0.54 0.381 -0.0101 -0.65 -0.8443 -0.9959 1271283 Enamine_005339 OC(=O)c1ccccc1OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C16 compound treatment 0.409 0.0182 0.67 0.413 0.0219 1.42 1.4769 0.9411 2063413 Enamine_005340 COc1ccc2C(=O)/C(=C/c3ccsc3)/CCc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C17 compound treatment 0.4 0.00922 0.34 0.402 0.0109 0.71 0.7399 0.943 2063414 Enamine_005341 CC1(C)CC(=O)C=C(C1)Nc2sc3CCCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C18 compound treatment 0.391 2.19E-4 0.01 0.389 -0.00206 -0.13 -0.0887 -0.6633 2063415 Enamine_005342 Fc1cccc(Cl)c1c2nn[nH]n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C19 compound treatment 0.38 -0.0108 -0.4 0.382 -0.00906 -0.59 -0.6946 -0.9817 2063416 Enamine_005343 CCOc1ccc(NC2=NC(C)CS2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C20 compound treatment 0.415 0.0242 0.89 0.421 0.0299 1.94 1.9988 0.9376 2063417 Enamine_005344 Cc1ccc(Cn2c(nc3ccccc23)c4cscn4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C21 compound treatment 0.393 0.00222 0.08 0.39 -0.00106 -0.07 0.009 0.0844 2063418 Enamine_005345 CC(Nc1ccc(Br)cc1)C(=O)Nc2cccc(Cl)c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C22 compound treatment 0.409 0.0182 0.67 0.403 0.0119 0.77 1.0193 0.9974 1707231 Enamine_005346 Cc1ccc2[nH]c(=NC(=O)c3cccs3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C23 mock treatment 0.375 -0.0158 -0.58 0.371 -0.0201 -1.3 -1.3278 -0.9339 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 C24 mock treatment 0.378 -0.0128 -0.47 0.374 -0.0171 -1.1 -1.1126 -0.9274 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D01 compound treatment 0.397 0.00622 0.23 0.404 0.0129 0.84 0.7535 0.8683 2063419 Enamine_005347 COc1ccc(CCNC(=O)c2ccccc2N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D02 compound treatment 0.395 0.00422 0.15 0.399 0.00794 0.51 0.4728 0.8812 2063420 Enamine_005348 CC(CCc1ccccc1)NC(=O)c2ccc(O)nc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D03 compound treatment 0.403 0.0122 0.45 0.402 0.0109 0.71 0.8178 0.9758 2063421 Enamine_005349 CCOC(=O)Cc1csc(C)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D04 compound treatment 0.396 0.00522 0.19 0.403 0.0119 0.77 0.6817 0.8566 2063422 Enamine_005350 CCOc1ccc(cc1)C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D05 compound treatment 0.398 0.00722 0.27 0.401 0.00994 0.64 0.6422 0.9232 2063423 Enamine_005351 Clc1ncccc1C(=O)OC2CCCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D06 compound treatment 0.396 0.00522 0.19 0.4 0.00894 0.58 0.5445 0.8936 2063424 Enamine_005352 CCCNC(=O)c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D07 compound treatment 0.426 0.0352 1.29 0.423 0.0319 2.07 2.3759 0.9745 2063425 Enamine_005353 Brc1ccc(OCCSc2ncccn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D08 compound treatment 0.402 0.0112 0.41 0.4 0.00894 0.58 0.7003 0.9862 2063426 Enamine_005354 CC(Oc1ccccc1)c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D09 compound treatment 0.415 0.0242 0.89 0.402 0.0109 0.71 1.1294 0.9936 2063427 Enamine_005355 CCOC(=O)c1c(N)scc1CC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D10 compound treatment 0.393 0.00222 0.08 0.394 0.00294 0.19 0.192 0.9285 1035638 Enamine_005356 OC(=O)c1cccc(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D11 compound treatment 0.403 0.0122 0.45 0.401 0.00994 0.64 0.772 0.9845 2063428 Enamine_005357 O=C(OC1CCCCC1=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D12 compound treatment 0.404 0.0132 0.49 0.41 0.0189 1.23 1.2098 0.9178 2063429 Enamine_005358 CC1CCCCN1C(=O)CSc2nc3ccccc3n2c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D13 compound treatment 0.406 0.0152 0.56 0.394 0.00294 0.19 0.5296 0.8971 2063430 Enamine_005359 CC(CCc1ccccc1)NC(=O)c2cnc(C)cn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D14 compound treatment 0.393 0.00222 0.08 0.396 0.00494 0.32 0.2835 0.8599 2063431 Enamine_005360 CCCn1c(SC(C)C(=O)O)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D15 compound treatment 0.392 0.00122 0.04 0.393 0.00194 0.13 0.1203 0.9037 2063432 Enamine_005361 CC(NC(=O)c1ccc(O)nc1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D16 compound treatment 0.398 0.00722 0.27 0.402 0.0109 0.71 0.6879 0.9102 2063433 Enamine_005362 Cc1ccccc1NCCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D17 compound treatment 0.401 0.0102 0.38 0.404 0.0129 0.84 0.8573 0.9345 2063434 Enamine_005363 O=C(COc1ccccn1)N2CCN(CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D18 compound treatment 0.398 0.00722 0.27 0.4 0.00894 0.58 0.5964 0.9374 1049913 Enamine_005364 OC(=O)c1ccccc1C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D19 compound treatment 0.396 0.00522 0.19 0.396 0.00494 0.32 0.3614 0.9701 2063435 Enamine_005365 CC(Oc1ccc(C)cc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D20 compound treatment 0.42 0.0292 1.07 0.419 0.0279 1.81 2.0371 0.969 2063436 Enamine_005366 NC(=O)c1ccccc1NS(=O)(=O)c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D21 compound treatment 0.421 0.0302 1.11 0.415 0.0239 1.55 1.88 0.9866 2063437 Enamine_005367 FC(F)(F)c1ccc(NC(=O)c2ccccc2)c(OCc3ccccc3)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D22 compound treatment 0.393 0.00222 0.08 0.39 -0.00106 -0.07 0.009 0.0844 2063438 Enamine_005368 CC(N1C(=O)C2CC=CCC2C1=O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D23 mock treatment 0.39 -7.81E-4 -0.03 0.396 0.00494 0.32 0.2056 0.641 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 D24 mock treatment 0.384 -0.00678 -0.25 0.39 -0.00106 -0.07 -0.2247 -0.8698 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E01 compound treatment 0.395 0.00422 0.15 0.391 -6.25E-5 0.0 0.1067 0.6884 2063439 Enamine_005369 CCC(=O)c1cc(C)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E02 compound treatment 0.412 0.0212 0.78 0.408 0.0169 1.1 1.326 0.986 2063440 Enamine_005370 Cc1ccc(CNC(=O)c2ccccc2N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E03 compound treatment 0.398 0.00722 0.27 0.391 -6.25E-5 0.0 0.1846 0.6962 2063441 Enamine_005371 Cc1ccc(cc1)c2ccc(O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E04 compound treatment 0.409 0.0182 0.67 0.413 0.0219 1.42 1.4769 0.9411 2063442 Enamine_005372 COCC(C)Nc1nc(cs1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E05 compound treatment 0.396 0.00522 0.19 0.398 0.00694 0.45 0.453 0.9279 1021585 Enamine_005373 CCc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E06 compound treatment 0.405 0.0142 0.52 0.4 0.00894 0.58 0.7782 0.9987 2063443 Enamine_005374 Cc1nn(Cc2ccccc2)c3sc(cc13)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E07 compound treatment 0.414 0.0232 0.85 0.404 0.0129 0.84 1.1949 1.0 1053870 Enamine_005375 COc1cc(C)c(N)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E08 compound treatment 0.414 0.0232 0.85 0.407 0.0159 1.03 1.3322 0.9955 2063444 Enamine_005376 O=C1CCC(=O)N1Cc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E09 compound treatment 0.413 0.0222 0.82 0.41 0.0189 1.23 1.4435 0.9805 2063445 Enamine_005377 Cc1c(Cl)cccc1NCC(=O)N2CC3(C)CC2CC(C)(C)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E10 compound treatment 0.403 0.0122 0.45 0.41 0.0189 1.23 1.1838 0.9071 831727 Enamine_005378 OC(=O)/C=C/c1ccc(O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E11 compound treatment 0.397 0.00622 0.23 0.408 0.0169 1.1 0.9365 0.8365 2063446 Enamine_005379 CCn1nc(cc1n2cnc3ccccc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E12 compound treatment 0.453 0.0622 2.28 0.447 0.0559 3.62 4.1752 0.9754 2063447 Enamine_005380 Cc1ccc(cc1)n2nc(cc2C(=O)O)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E13 compound treatment 0.455 0.0642 2.36 0.441 0.0499 3.23 3.9526 0.988 2063448 Enamine_005381 CC(O)c1nc2ccccc2n1C(=O)c3ccc(OCc4ccccc4)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E14 compound treatment 0.424 0.0332 1.22 0.412 0.0209 1.35 1.8206 0.9986 2063449 Enamine_005382 CC(C)CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E15 compound treatment 0.432 0.0412 1.51 0.424 0.0329 2.13 2.5775 0.9859 2063450 Enamine_005383 S=c1[nH]n(Cc2ccccc2)c(=NCc3ccccc3)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E16 compound treatment 0.397 0.00622 0.23 0.418 0.0269 1.74 1.3941 0.793 1325640 Enamine_005384 Clc1cccc(Cl)c1CC(=O)OCC(=O)NCC2CCCO2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E17 compound treatment 0.308 -0.0828 -3.04 0.312 -0.0791 -5.12 -5.7673 -0.9691 2063451 Enamine_005385 NNc1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E18 compound treatment 0.46 0.0692 2.54 0.439 0.0479 3.1 3.9909 0.9951 2063452 Enamine_005386 COc1ccc2c(C)cc(Cl)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E19 compound treatment 0.399 0.00822 0.3 0.403 0.0119 0.77 0.7596 0.9159 2063453 Enamine_005387 CC1CSC(=N1)Nc2cccc(C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E20 compound treatment 0.382 -0.00878 -0.32 0.386 -0.00506 -0.33 -0.4597 -1.0 1559275 Enamine_005388 Oc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E21 compound treatment 0.397 0.00622 0.23 0.397 0.00594 0.38 0.4332 0.9691 2063454 Enamine_005389 CC(=O)N1CCN(CC1)C(=O)CNc2cc(ccc2OCC(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E22 compound treatment 0.399 0.00822 0.3 0.394 0.00294 0.19 0.3478 0.9752 2063455 Enamine_005390 CNC(=O)COC(=O)c1ccccc1Oc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E23 mock treatment 0.391 2.19E-4 0.01 0.397 0.00594 0.38 0.2774 0.7217 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 E24 mock treatment 0.397 0.00622 0.23 0.391 -6.25E-5 0.0 0.1586 0.6945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F01 compound treatment 0.393 0.00222 0.08 0.401 0.00994 0.64 0.5123 0.7904 2063456 Enamine_005391 COc1ccc(cc1)C(=O)N/C=C/n2cnc3cc(ccc23)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F02 compound treatment 0.481 0.0902 3.31 0.486 0.0949 6.14 6.6868 0.958 2063457 Enamine_005392 O=C(Oc1cccc(Oc2ccccc2)c1)/C=C/c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F03 compound treatment 0.565 0.174 6.4 0.549 0.158 10.22 11.7508 0.9745 2063458 Enamine_005393 CN1C(=O)/C(=C\c2cccs2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F04 compound treatment 0.405 0.0142 0.52 0.411 0.0199 1.29 1.2815 0.9207 2063459 Enamine_005394 Clc1ccc(cc1)c2csc3nc(CN4CCCC4)[nH]c(=O)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F05 compound treatment 0.439 0.0482 1.77 0.431 0.0399 2.58 3.0795 0.983 2063460 Enamine_005395 Nc1cc(ccc1Cl)C(=O)OCCOc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F06 compound treatment 0.43 0.0392 1.44 0.423 0.0319 2.07 2.4798 0.9844 2063461 Enamine_005396 COc1ccc(cc1)C(=O)NCC(=O)N2CCN(CC2)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F07 compound treatment 0.412 0.0212 0.78 0.406 0.0149 0.97 1.2345 0.9943 1477569 Enamine_005397 Clc1cc(cnc1Cl)C(=O)OCC(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F08 compound treatment 0.414 0.0232 0.85 0.413 0.0219 1.42 1.6067 0.9703 2063462 Enamine_005398 Cc1ccc(NCC(=O)c2ccc(cc2)n3nncc3c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F09 compound treatment 0.402 0.0112 0.41 0.408 0.0169 1.1 1.0663 0.9107 2063463 Enamine_005399 COC(=O)CC(N)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F10 compound treatment 0.41 0.0192 0.71 0.404 0.0129 0.84 1.091 0.9964 2063464 Enamine_005400 O=S(=O)(NCc1ccco1)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F11 compound treatment 0.403 0.0122 0.45 0.407 0.0159 1.03 1.0465 0.9305 2063465 Enamine_005401 Clc1ccc(CNC(=O)c2ccc(Br)o2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F12 compound treatment 0.406 0.0152 0.56 0.407 0.0159 1.03 1.1244 0.9586 2063466 Enamine_005402 CC(C)c1ccccc1NC(=O)COC(=O)Cc2ccccc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F13 compound treatment 0.411 0.0202 0.74 0.408 0.0169 1.1 1.3 0.982 2063467 Enamine_005403 Cc1cccc(NC(=O)c2ccc(O)nc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F14 compound treatment 0.407 0.0162 0.6 0.411 0.0199 1.29 1.3334 0.9384 2063468 Enamine_005404 COc1ccc(NCCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F15 compound treatment 0.502 0.111 4.08 0.487 0.0959 6.21 7.2779 0.9794 1862133 Enamine_005405 NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc4CCCc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F16 compound treatment 0.478 0.0872 3.2 0.477 0.0859 5.56 6.1971 0.9656 2063469 Enamine_005406 O=C(Cc1nc2ccccc2s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F17 compound treatment 0.428 0.0372 1.37 0.425 0.0339 2.2 2.5194 0.974 2063470 Enamine_005407 CC(C)NC(=S)n1cc(cn1)C(=O)c2cc(Cl)cc(Cl)c2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F18 compound treatment 0.404 0.0132 0.49 0.414 0.0229 1.48 1.3928 0.8919 2063471 Enamine_005408 Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F19 compound treatment 0.41 0.0192 0.71 0.409 0.0179 1.16 1.3198 0.9715 2063472 Enamine_005409 CCOc1cc(/C=C/C(=O)O)ccc1OCC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F20 compound treatment 0.401 0.0102 0.38 0.4 0.00894 0.58 0.6743 0.9781 2063473 Enamine_005410 CC(C)(C)c1ccc(OCC(=O)N2CCN(CC2)c3ccc(O)cc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F21 compound treatment 0.401 0.0102 0.38 0.409 0.0179 1.16 1.0861 0.8903 2063474 Enamine_005411 CCOc1cc(ccc1OCC(C)C)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F22 compound treatment 0.433 0.0422 1.55 0.43 0.0389 2.52 2.878 0.9728 2063475 Enamine_005412 CCOC(=O)Nc1ccc2c(CCl)cc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F23 mock treatment 0.403 0.0122 0.45 0.398 0.00694 0.45 0.6347 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 F24 mock treatment 0.394 0.00322 0.12 0.4 0.00894 0.58 0.4925 0.8344 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G01 compound treatment 0.394 0.00322 0.12 0.385 -0.00606 -0.39 -0.1938 -0.4731 1071358 Enamine_005413 COC(=O)C1CCCCCC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G02 compound treatment 0.394 0.00322 0.12 0.4 0.00894 0.58 0.4925 0.8344 2063476 Enamine_005414 CCC(CC)c1nnc(N)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G03 compound treatment 0.389 -0.00178 -0.07 0.393 0.00194 0.13 0.0424 0.2998 1026878 Enamine_005415 NC(=O)c1cccc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G04 compound treatment 0.439 0.0482 1.77 0.445 0.0539 3.49 3.7201 0.9505 2063477 Enamine_005416 Fc1ccc(C(=O)Cc2nc3ccccc3[nH]2)c(F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G05 compound treatment 0.378 -0.0128 -0.47 0.382 -0.00906 -0.59 -0.7466 -0.9939 2063478 Enamine_005417 OC(=O)c1ccc2ncsc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G06 compound treatment 0.398 0.00722 0.27 0.404 0.0129 0.84 0.7794 0.8876 1038437 Enamine_005418 ClCC(=O)NCc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G07 compound treatment 0.398 0.00722 0.27 0.394 0.00294 0.19 0.3219 0.9867 2063479 Enamine_005419 OC(=O)c1ccc(OCC2CCCO2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G08 compound treatment 0.405 0.0142 0.52 0.399 0.00794 0.51 0.7324 1.0 2063480 Enamine_005420 O=C(Cn1nnc2ccccc12)N3CCN(CC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G09 compound treatment 0.388 -0.00278 -0.1 0.394 0.00294 0.19 0.0622 0.2882 2063481 Enamine_005421 CC(Nc1ccccc1)C(=O)Nc2cc(ccc2Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G10 compound treatment 0.389 -0.00178 -0.07 0.395 0.00394 0.25 0.1339 0.5091 2063482 Enamine_005422 On1nnc2cc(ccc12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G11 compound treatment 0.407 0.0162 0.6 0.401 0.00994 0.64 0.8759 0.9993 2063483 Enamine_005423 Cc1ccc(cc1)c2nnsc2c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G12 compound treatment 0.404 0.0132 0.49 0.406 0.0149 0.97 1.0268 0.9492 1004102 Enamine_005424 ONC(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G13 compound treatment 0.4 0.00922 0.34 0.396 0.00494 0.32 0.4653 0.9996 2063484 Enamine_005425 O=C(COc1ccc(C#N)cc1)NCCCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G14 compound treatment 0.361 -0.0298 -1.09 0.363 -0.0281 -1.82 -2.0574 -0.9705 1739975 Enamine_005426 Oc1ccccc1CNCC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G15 compound treatment 0.393 0.00222 0.08 0.398 0.00694 0.45 0.3751 0.822 2063485 Enamine_005427 CC(C)(C)C(=O)/C=C/1\NC(=O)CS1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G16 compound treatment 0.427 0.0362 1.33 0.433 0.0419 2.71 2.8595 0.9461 2063486 Enamine_005428 CC1CCCCC1NC(=O)/C=C/c2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G17 compound treatment 0.403 0.0122 0.45 0.404 0.0129 0.84 0.9093 0.9573 2063487 Enamine_005429 Cc1cc(N)nc2nc(nn12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G18 compound treatment 0.409 0.0182 0.67 0.411 0.0199 1.29 1.3854 0.9532 2063488 Enamine_005430 CCOc1ccc(N)cc1OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G19 compound treatment 0.442 0.0512 1.88 0.425 0.0339 2.2 2.8829 0.997 2063489 Enamine_005431 Cc1nn(CCC(=O)N)c2nc(cc(c12)C(F)(F)F)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G20 compound treatment 0.466 0.0752 2.76 0.454 0.0629 4.07 4.8331 0.9821 2063490 Enamine_005432 Cc1c(C#N)c(nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G21 compound treatment 0.405 0.0142 0.52 0.4 0.00894 0.58 0.7782 0.9987 2063491 Enamine_005433 COc1ccc(C)cc1NCC(=O)Nc2ncc(Cl)c(C)c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G22 compound treatment 0.398 0.00722 0.27 0.397 0.00594 0.38 0.4591 0.9836 2063492 Enamine_005434 COc1ccc(/C=C/C(=O)OC2CCCCC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G23 mock treatment 0.388 -0.00278 -0.1 0.393 0.00194 0.13 0.0164 0.1016 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 G24 mock treatment 0.389 -0.00178 -0.07 0.392 9.38E-4 0.06 -0.0034 -0.0376 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H01 compound treatment 0.392 0.00122 0.04 0.399 0.00794 0.51 0.3949 0.7658 2063493 Enamine_005435 CCC(=O)N/C=C/n1cnc2cc(ccc12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H02 compound treatment 0.394 0.00322 0.12 0.399 0.00794 0.51 0.4468 0.8477 2063494 Enamine_005436 Cc1nnc(SCC#N)n1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H03 compound treatment 0.429 0.0382 1.4 0.42 0.0289 1.87 2.3165 0.9899 2063495 Enamine_005437 Fc1ccc(/C=C/2\SC(=O)N(CCNC(=O)c3cc(F)c(F)c(F)c3F)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H04 compound treatment 0.445 0.0542 1.99 0.463 0.0719 4.66 4.6996 0.9282 2063496 Enamine_005438 O=C(CCC(=O)c1cccs1)Nc2ccc(OCc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H05 compound treatment 0.397 0.00622 0.23 0.402 0.0109 0.71 0.662 0.8901 2063497 Enamine_005439 CNC(=O)COC(=O)c1cccnc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H06 compound treatment 0.388 -0.00278 -0.1 0.388 -0.00306 -0.2 -0.2124 -0.9525 2063498 Enamine_005440 [O-][n+]1ccc(cc1)C(=O)OCC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H07 compound treatment 0.406 0.0152 0.56 0.406 0.0149 0.97 1.0787 0.9661 2063499 Enamine_005441 Cc1ccc(s1)C(=O)NCC(=O)OCc2c(F)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H08 compound treatment 0.398 0.00722 0.27 0.397 0.00594 0.38 0.4591 0.9836 2063500 Enamine_005442 CCc1nnc(NC(=O)C2CC2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H09 compound treatment 0.451 0.0602 2.21 0.433 0.0419 2.71 3.4826 0.9948 2063501 Enamine_005443 Fc1ccc(cc1)S(=O)(=O)/C(=C/c2ccsc2)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H10 compound treatment 0.421 0.0302 1.11 0.421 0.0299 1.94 2.1546 0.965 2063502 Enamine_005444 Cc1cc2oc(=O)cc(CCl)c2cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H11 compound treatment 0.397 0.00622 0.23 0.397 0.00594 0.38 0.4332 0.9691 1447608 Enamine_005445 Cc1cc(C(=O)OCC(=O)NC2CCCC2)c(C)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H12 compound treatment 0.429 0.0382 1.4 0.434 0.0429 2.78 2.9571 0.95 2063503 Enamine_005446 Clc1cccc(c1)C(=O)NCC(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H13 compound treatment 0.418 0.0272 1.0 0.404 0.0129 0.84 1.2988 0.9961 2063504 Enamine_005447 Fc1ccccc1c2nnc(SCC(=O)Nc3ccccc3)n2C4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H14 compound treatment 0.398 0.00722 0.27 0.398 0.00694 0.45 0.5049 0.9684 1051196 Enamine_005448 OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H15 compound treatment 0.401 0.0102 0.38 0.401 0.00994 0.64 0.7201 0.9671 2063505 Enamine_005449 CN(C(=O)COC(=O)Cc1ccc(Br)cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H16 compound treatment 0.436 0.0452 1.66 0.436 0.0449 2.91 3.2304 0.9647 2063506 Enamine_005450 NC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H17 compound treatment 0.388 -0.00278 -0.1 0.385 -0.00606 -0.39 -0.3496 -0.8624 2063507 Enamine_005451 Oc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H18 compound treatment 0.397 0.00622 0.23 0.4 0.00894 0.58 0.5704 0.9174 1009492 Enamine_005452 CCN(CCO)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H19 compound treatment 0.403 0.0122 0.45 0.398 0.00694 0.45 0.6347 1.0 1024619 Enamine_005453 CC(=O)Nc1nnc(C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H20 compound treatment 0.489 0.0982 3.61 0.498 0.107 6.92 7.4436 0.9539 1755214 Enamine_005454 Cc1ccc(cc1)C(=O)c2c(N)sc3CCCc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H21 compound treatment 0.406 0.0152 0.56 0.404 0.0129 0.84 0.9872 0.9807 2063508 Enamine_005455 Nc1cc(Cl)ccc1Sc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H22 compound treatment 0.395 0.00422 0.15 0.399 0.00794 0.51 0.4728 0.8812 2063509 Enamine_005456 COc1ccc(Br)cc1C(=O)CCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H23 mock treatment 0.396 0.00522 0.19 0.402 0.0109 0.71 0.636 0.8673 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 H24 mock treatment 0.394 0.00322 0.12 0.389 -0.00206 -0.13 -0.0108 -0.0606 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I01 compound treatment 0.363 -0.0278 -1.02 0.366 -0.0251 -1.62 -1.8682 -0.975 1049886 Enamine_005457 Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I02 compound treatment 0.428 0.0372 1.37 0.423 0.0319 2.07 2.4278 0.9798 2063510 Enamine_005458 Brc1ccc(N/C(=C\C#N)/c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I03 compound treatment 0.417 0.0262 0.96 0.429 0.0379 2.46 2.4168 0.9165 1005562 Enamine_005459 O=C(CC#N)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I04 compound treatment 0.403 0.0122 0.45 0.399 0.00794 0.51 0.6805 0.9977 2063511 Enamine_005460 COc1ccc2c(C)cc(O)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I05 compound treatment 0.401 0.0102 0.38 0.407 0.0159 1.03 0.9946 0.9063 1034317 Enamine_005461 N(c1ccccc1)c2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I06 compound treatment 0.406 0.0152 0.56 0.409 0.0179 1.16 1.216 0.9439 2063512 Enamine_005462 NC(CC(=O)O)c1cccc(Oc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I07 compound treatment 0.402 0.0112 0.41 0.406 0.0149 0.97 0.9748 0.9277 2063513 Enamine_005463 OC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I08 compound treatment 0.415 0.0242 0.89 0.405 0.0139 0.9 1.2666 1.0 2063514 Enamine_005464 FC(F)(F)c1ccccc1S(=O)(=O)NCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I09 compound treatment 0.43 0.0392 1.44 0.423 0.0319 2.07 2.4798 0.9844 2063515 Enamine_005465 OC(=O)COc1ccc2ccccc2c1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I10 compound treatment 0.408 0.0172 0.63 0.408 0.0169 1.1 1.2221 0.9658 1060681 Enamine_005466 COC(=O)c1ccc(CCl)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I11 compound treatment 0.403 0.0122 0.45 0.411 0.0199 1.29 1.2296 0.9001 2063516 Enamine_005467 COC(=O)C(C)NC(=O)c1ccc(C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I12 compound treatment 0.406 0.0152 0.56 0.409 0.0179 1.16 1.216 0.9439 2063517 Enamine_005468 CC(C)c1ccc(NC(=O)COn2nnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I13 compound treatment 0.404 0.0132 0.49 0.413 0.0219 1.42 1.3471 0.8979 2063518 Enamine_005469 CCCN(CC1CC1)c2cccc(n2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I14 compound treatment 0.452 0.0612 2.25 0.45 0.0589 3.81 4.2865 0.9682 2063519 Enamine_005470 COC(=O)c1sc2cccc(Cl)c2c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I15 compound treatment 0.41 0.0192 0.71 0.416 0.0249 1.61 1.6401 0.9312 2063520 Enamine_005471 Cc1cc(N=c2[nH]cc(Cl)cc2Cl)n(n1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I16 compound treatment 0.488 0.0972 3.57 0.497 0.106 6.86 7.3719 0.9538 2063521 Enamine_005472 CCCN1C/C(=C\c2ccsc2)/C(=O)\C(=C/c3ccsc3)\C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I17 compound treatment 0.419 0.0282 1.04 0.417 0.0259 1.68 1.9196 0.9731 2063522 Enamine_005473 COc1ccc(CCNC2=NCCS2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I18 compound treatment 0.416 0.0252 0.93 0.409 0.0179 1.16 1.4756 0.9937 2063523 Enamine_005474 CCCOc1ccc(/C=C/C(=O)O)cc1OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I19 compound treatment 0.41 0.0192 0.71 0.415 0.0239 1.55 1.5944 0.9366 2063524 Enamine_005475 CCCOc1ccc(N)cc1OCCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I20 compound treatment 0.347 -0.0438 -1.61 0.349 -0.0421 -2.72 -3.0615 -0.9684 2063525 Enamine_005476 Cc1ccc(cc1)S(=O)(=O)Nc2cccc3c(O)cccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I21 compound treatment 0.405 0.0142 0.52 0.397 0.00594 0.38 0.6409 0.9886 1688116 Enamine_005477 Nc1c(c(CN2CCOCC2)nn1c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I22 compound treatment 0.404 0.0132 0.49 0.409 0.0179 1.16 1.164 0.9252 2063526 Enamine_005478 O=C(CSC1=NCCCN1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I23 mock treatment 0.4 0.00922 0.34 0.397 0.00594 0.38 0.5111 0.998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 I24 mock treatment 0.4 0.00922 0.34 0.391 -6.25E-5 0.0 0.2365 0.6986 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J01 compound treatment 0.391 2.19E-4 0.01 0.395 0.00394 0.25 0.1859 0.729 1030333 Enamine_005479 ONC(=O)c1cccs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J02 compound treatment 0.392 0.00122 0.04 0.399 0.00794 0.51 0.3949 0.7658 2063527 Enamine_005480 COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J03 compound treatment 0.521 0.13 4.78 0.503 0.112 7.24 8.5034 0.9797 2063528 Enamine_005481 CCN(CC)c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J04 compound treatment 0.396 0.00522 0.19 0.399 0.00794 0.51 0.4987 0.9097 2063529 Enamine_005482 Clc1ccccc1NS(=O)(=O)c2ccc(cc2)C(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J05 compound treatment 0.443 0.0522 1.92 0.434 0.0429 2.78 3.3207 0.9836 2063530 Enamine_005483 CC(C)(C)c1ccc(OCCC(=O)Nc2ccc(cc2)N3CCOCC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J06 compound treatment 0.392 0.00122 0.04 0.406 0.0149 0.97 0.7152 0.7391 2063531 Enamine_005484 Cn1c(SCC2CCCCO2)nnc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J07 compound treatment 0.276 -0.115 -4.22 0.273 -0.118 -7.64 -8.3828 -0.9607 2063532 Enamine_005485 Cc1ccc(cc1)n2cc(cc(C#N)c2=O)C(=O)c3cc(C)ccc3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J08 compound treatment 0.404 0.0132 0.49 0.401 0.00994 0.64 0.798 0.9904 2063533 Enamine_005486 Cc1csc(NC(=O)C2CC2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J09 compound treatment 0.433 0.0422 1.55 0.43 0.0389 2.52 2.878 0.9728 2063534 Enamine_005487 COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCC2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J10 compound treatment 0.387 -0.00378 -0.14 0.389 -0.00206 -0.13 -0.1926 -0.9998 2063535 Enamine_005488 CN(C)c1ccc(cc1)C(CN)c2c[nH]c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J11 compound treatment 0.398 0.00722 0.27 0.401 0.00994 0.64 0.6422 0.9232 2063536 Enamine_005489 CC(C)(C)NC(=O)c1cc(ccc1Cl)S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J12 compound treatment 0.395 0.00422 0.15 0.393 0.00194 0.13 0.1982 0.9945 2063537 Enamine_005490 Cc1ccc(cc1)S(=O)(=O)CCC(=O)N2CCN(CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J13 compound treatment 0.388 -0.00278 -0.1 0.398 0.00694 0.45 0.2452 0.5326 2063538 Enamine_005491 NC(=O)CSc1nnc(c2ccccc2Br)n1Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J14 compound treatment 0.39 -7.81E-4 -0.03 0.395 0.00394 0.25 0.1599 0.6236 2063539 Enamine_005492 OC(=O)c1cccc(C#N)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J15 compound treatment 0.272 -0.119 -4.36 0.267 -0.124 -8.03 -8.7612 -0.9589 2063540 Enamine_005493 Oc1ccc(Br)cc1C(=O)c2cc(C#N)c(=O)n(c2)c3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J16 compound treatment 0.42 0.0292 1.07 0.423 0.0319 2.07 2.2201 0.9534 1087514 Enamine_005494 Nc1ccc(SC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J17 compound treatment 0.401 0.0102 0.38 0.393 0.00194 0.13 0.354 0.8947 2063541 Enamine_005495 Oc1ccc(Cl)cc1C(=O)c2cnn(c2)C(=O)C3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J18 compound treatment 0.398 0.00722 0.27 0.397 0.00594 0.38 0.4591 0.9836 1021366 Enamine_005496 O=C1CCC(CC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J19 compound treatment 0.402 0.0112 0.41 0.402 0.0109 0.71 0.7918 0.9668 2063542 Enamine_005497 CNS(=O)(=O)c1ccc(F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J20 compound treatment 0.397 0.00622 0.23 0.395 0.00394 0.25 0.3417 0.9985 1425942 Enamine_005498 CCn1c(N)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J21 compound treatment 0.394 0.00322 0.12 0.397 0.00594 0.38 0.3553 0.8838 2063543 Enamine_005499 Cc1cc(NC(=O)CC#N)n(n1)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J22 compound treatment 0.416 0.0252 0.93 0.41 0.0189 1.23 1.5214 0.9905 2063544 Enamine_005500 CCOc1ccc(CCl)cc1OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J23 mock treatment 0.392 0.00122 0.04 0.389 -0.00206 -0.13 -0.0627 -0.4456 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 J24 mock treatment 0.388 -0.00278 -0.1 0.386 -0.00506 -0.33 -0.3039 -0.8855 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K01 compound treatment 0.41 0.0192 0.71 0.405 0.0139 0.9 1.1368 0.9926 1037644 Enamine_005501 COc1ccc(N)cn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K02 compound treatment 0.407 0.0162 0.6 0.417 0.0259 1.68 1.608 0.9029 2063545 Enamine_005502 CN(Cc1ccccc1)C(=O)CNc2cccc(C#N)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K03 compound treatment 0.405 0.0142 0.52 0.408 0.0169 1.1 1.1442 0.9425 2063546 Enamine_005503 Nc1nnc(s1)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K04 compound treatment 0.398 0.00722 0.27 0.406 0.0149 0.97 0.871 0.8689 1295305 Enamine_005504 NCCC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K05 compound treatment 0.4 0.00922 0.34 0.408 0.0169 1.1 1.0144 0.8843 1041153 Enamine_005505 CC(CC(=O)O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K06 compound treatment 0.402 0.0112 0.41 0.406 0.0149 0.97 0.9748 0.9277 1268418 Enamine_005506 OC(=O)C1Cc2ccccc2CN1C(=O)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K07 compound treatment 0.408 0.0172 0.63 0.411 0.0199 1.29 1.3594 0.9461 2063547 Enamine_005507 ClCc1nc(Cl)c2c3CCCCc3sc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K08 compound treatment 0.436 0.0452 1.66 0.438 0.0469 3.04 3.3219 0.9596 2063548 Enamine_005508 CCC(C)N=c1[nH]c(cs1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K09 compound treatment 0.392 0.00122 0.04 0.398 0.00694 0.45 0.3491 0.7738 2063549 Enamine_005509 Nc1nn2cc(nc2c3ccccc13)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K10 compound treatment 0.403 0.0122 0.45 0.409 0.0179 1.16 1.1381 0.9145 1038920 Enamine_005510 Cc1cccc(OCC(=O)O)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K11 compound treatment 0.402 0.0112 0.41 0.407 0.0159 1.03 1.0206 0.919 2063550 Enamine_005511 Oc1ccc(F)cc1C(=O)c2ccno2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K12 compound treatment 0.454 0.0632 2.32 0.449 0.0579 3.75 4.2927 0.9734 2063551 Enamine_005512 Cc1cc(nc2ccccc12)c3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K13 compound treatment 0.398 0.00722 0.27 0.419 0.0279 1.81 1.4658 0.8022 2063552 Enamine_005513 Nc1nn2cc(nc2c3ccccc13)c4ccc(Cl)s4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K14 compound treatment 0.376 -0.0148 -0.54 0.372 -0.0191 -1.23 -1.2561 -0.932 2063553 Enamine_005514 N(c1nc2ccccc2[nH]1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K15 compound treatment 0.413 0.0222 0.82 0.409 0.0179 1.16 1.3977 0.9851 2063554 Enamine_005515 O=C(NCc1nc2ccccc2[nH]1)/C=C/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K16 compound treatment 0.418 0.0272 1.0 0.429 0.0379 2.46 2.4427 0.9215 2063555 Enamine_005516 CN(C)c1cccc(c1)C(=O)Nc2cc(ccc2n3ccnc3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K17 compound treatment 0.39 -7.81E-4 -0.03 0.407 0.0159 1.03 0.709 0.6872 2063556 Enamine_005517 COc1ccccc1CNC(=O)COc2cc(C)nn2c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K18 compound treatment 0.417 0.0262 0.96 0.414 0.0229 1.48 1.7304 0.978 2063557 Enamine_005518 FC(F)(F)c1nc2ccccc2n1c3cc([nH]n3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K19 compound treatment 0.393 0.00222 0.08 0.395 0.00394 0.25 0.2378 0.8889 1008003 Enamine_005519 CCOC(=O)C1CCCC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K20 compound treatment 0.397 0.00622 0.23 0.403 0.0119 0.77 0.7077 0.8786 2063558 Enamine_005520 CC(C)c1ccc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K21 compound treatment 0.394 0.00322 0.12 0.392 9.38E-4 0.06 0.1265 0.952 2063559 Enamine_005521 Cc1ccccc1NC(=O)C(C)(C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K22 compound treatment 0.398 0.00722 0.27 0.397 0.00594 0.38 0.4591 0.9836 2063560 Enamine_005522 [O-][n+]1ccc(cc1)C(=O)OCc2c(F)cccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K23 mock treatment 0.391 2.19E-4 0.01 0.392 9.38E-4 0.06 0.0486 0.7938 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 K24 mock treatment 0.389 -0.00178 -0.07 0.394 0.00294 0.19 0.0882 0.4385 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L01 compound treatment 0.396 0.00522 0.19 0.414 0.0229 1.48 1.1851 0.7918 2063561 Enamine_005523 CCOc1ccc(OCCCl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L02 compound treatment 0.405 0.0142 0.52 0.407 0.0159 1.03 1.0985 0.9503 2063562 Enamine_005524 FC(F)(F)c1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc34)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L03 compound treatment 0.401 0.0102 0.38 0.406 0.0149 0.97 0.9489 0.9151 2063563 Enamine_005525 Cc1ccsc1C(=O)Oc2ccc(Cl)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L04 compound treatment 0.4 0.00922 0.34 0.401 0.00994 0.64 0.6941 0.9551 2063564 Enamine_005526 CC(Oc1ncnc2ccccc12)C(=O)Nc3cc(Cl)cc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L05 compound treatment 0.4 0.00922 0.34 0.409 0.0179 1.16 1.0602 0.8768 2063565 Enamine_005527 Oc1ccccc1N2CCN(CC2)C(=O)c3ccc4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L06 compound treatment 0.399 0.00822 0.3 0.402 0.0109 0.71 0.7139 0.9278 2063566 Enamine_005528 Cc1ccc(NC(=O)COC(=O)C2CCC2)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L07 compound treatment 0.398 0.00722 0.27 0.394 0.00294 0.19 0.3219 0.9867 2063567 Enamine_005529 Clc1ncccc1C(=O)OCC(=O)Nc2cccc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L08 compound treatment 0.438 0.0472 1.73 0.427 0.0359 2.33 2.8705 0.9895 2063568 Enamine_005530 Cc1sc2nc(CCl)[nH]c(=O)c2c1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L09 compound treatment 0.418 0.0272 1.0 0.408 0.0169 1.1 1.4818 0.9989 2063569 Enamine_005531 CN(C)S(=O)(=O)c1cccc(c1)C(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L10 compound treatment 0.393 0.00222 0.08 0.405 0.0139 0.9 0.6954 0.7679 1385447 Enamine_005532 CCOC(=O)C1C2C(C)C(C)(NC1=O)Oc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L11 compound treatment 0.43 0.0392 1.44 0.439 0.0479 3.1 3.2119 0.9391 1336433 Enamine_005533 CC(C)(C)C(=O)COC(=O)Cc1ccc(cc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L12 compound treatment 0.386 -0.00478 -0.18 0.385 -0.00606 -0.39 -0.4016 -0.9343 2063570 Enamine_005534 Oc1ccccc1N2CCN(CC2)C(=O)c3cccc(I)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L13 compound treatment 0.433 0.0422 1.55 0.436 0.0449 2.91 3.1525 0.9566 2063571 Enamine_005535 Cc1ccc(NC(=O)COC(=O)c2cccc(c2)C(F)(F)F)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L14 compound treatment 0.458 0.0672 2.47 0.455 0.0639 4.14 4.6711 0.9695 2063572 Enamine_005536 Oc1cc(C(=O)Nc2ccc3CCCc3c2)c4ccccc4n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L15 compound treatment 0.406 0.0152 0.56 0.401 0.00994 0.64 0.8499 0.9976 2063573 Enamine_005537 CCOC(=O)c1nc2ccccc2c(C)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L16 compound treatment 0.407 0.0162 0.6 0.414 0.0229 1.48 1.4707 0.9196 1493539 Enamine_005538 CC(=O)Oc1ccc(cc1)c2ccc(cc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L17 compound treatment 0.424 0.0332 1.22 0.433 0.0419 2.71 2.7816 0.9348 2063574 Enamine_005539 CCc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L18 compound treatment 0.407 0.0162 0.6 0.407 0.0159 1.03 1.1504 0.966 2063575 Enamine_005540 Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NC2CCCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L19 compound treatment 0.401 0.0102 0.38 0.409 0.0179 1.16 1.0861 0.8903 2063576 Enamine_005541 CCOc1ccccc1N2CC(CC2=O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L20 compound treatment 0.403 0.0122 0.45 0.404 0.0129 0.84 0.9093 0.9573 2063577 Enamine_005542 Cc1ccc(cc1)S(=O)(=O)NC(=O)c2ccc(Cl)nc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L21 compound treatment 0.387 -0.00378 -0.14 0.383 -0.00806 -0.52 -0.4671 -0.8652 2063578 Enamine_005543 CC1SC(=S)NN1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L22 compound treatment 0.434 0.0432 1.59 0.44 0.0489 3.17 3.3615 0.949 1278666 Enamine_005544 Nc1sc2CCCCc2c1C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L23 mock treatment 0.4 0.00922 0.34 0.401 0.00994 0.64 0.6941 0.9551 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 L24 mock treatment 0.39 -7.81E-4 -0.03 0.395 0.00394 0.25 0.1599 0.6236 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M01 compound treatment 0.39 -7.81E-4 -0.03 0.399 0.00794 0.51 0.3429 0.6666 2063579 Enamine_005545 Cc1c(oc2c(cccc2c1=O)C(=O)O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M02 compound treatment 0.414 0.0232 0.85 0.407 0.0159 1.03 1.3322 0.9955 1735092 Enamine_005546 Cc1ccc(C)n1c2cccc(c2)S(=O)(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M03 compound treatment 0.398 0.00722 0.27 0.398 0.00694 0.45 0.5049 0.9684 2063580 Enamine_005547 Nc1ccc(SC(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M04 compound treatment 0.404 0.0132 0.49 0.402 0.0109 0.71 0.8437 0.9831 2063581 Enamine_005548 CC1CN=C(S1)N(C(=O)c2ccccc2)c3cccc(C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M05 compound treatment 0.403 0.0122 0.45 0.405 0.0139 0.9 0.955 0.948 2063582 Enamine_005549 CCOC(=O)C1CCCN(C1)C(=O)c2cncc(Br)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M06 compound treatment 0.395 0.00422 0.15 0.406 0.0149 0.97 0.7931 0.8101 2063583 Enamine_005550 Cc1ccc(NC(=O)/C=N/O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M07 compound treatment 0.398 0.00722 0.27 0.395 0.00394 0.25 0.3676 0.9998 1013367 Enamine_005551 OC(=O)CCNCc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M08 compound treatment 0.41 0.0192 0.71 0.407 0.0159 1.03 1.2283 0.9829 2063584 Enamine_005552 ClCc1cc(=O)oc2cc3CCCc3cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M09 compound treatment 0.396 0.00522 0.19 0.398 0.00694 0.45 0.453 0.9279 2063585 Enamine_005553 OC(=O)COc1ccc2CCCc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M10 compound treatment 0.4 0.00922 0.34 0.395 0.00394 0.25 0.4196 0.9902 2063586 Enamine_005554 Cc1nn(CCC(=O)N)c2nc(cc(c12)C(F)(F)F)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M11 compound treatment 0.325 -0.0658 -2.42 0.325 -0.0661 -4.28 -4.731 -0.9635 2063587 Enamine_005555 Oc1c(Cl)cc(Cl)cc1C(=O)c2cnoc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M12 compound treatment 0.46 0.0692 2.54 0.459 0.0679 4.4 4.9061 0.9661 1033884 Enamine_005556 Cc1cc(nc2ccccc12)c3ccccc3N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M13 compound treatment 0.396 0.00522 0.19 0.404 0.0129 0.84 0.7275 0.8471 2063588 Enamine_005557 CCCC(C#N)c1ccc(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M14 compound treatment 0.399 0.00822 0.3 0.403 0.0119 0.77 0.7596 0.9159 2063589 Enamine_005558 CCc1cc2c(Cl)ncnc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M15 compound treatment 0.397 0.00622 0.23 0.395 0.00394 0.25 0.3417 0.9985 2063590 Enamine_005559 N#Cc1ccc(CSC2=NCCN2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M16 compound treatment 0.459 0.0682 2.51 0.433 0.0419 2.71 3.6904 0.9992 2063591 Enamine_005560 FC(F)(F)c1ccc2n(/C=C/NC(=O)c3ccccc3)cnc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M17 compound treatment 0.403 0.0122 0.45 0.407 0.0159 1.03 1.0465 0.9305 1401309 Enamine_005561 CC(C)n1c(NN)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M18 compound treatment 0.402 0.0112 0.41 0.406 0.0149 0.97 0.9748 0.9277 2063592 Enamine_005562 N#CCCn1cnc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M19 compound treatment 0.416 0.0252 0.93 0.417 0.0259 1.68 1.8417 0.9607 2063593 Enamine_005563 OC(=O)CSc1ccc2CCc3cccc1c32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M20 compound treatment 0.448 0.0572 2.1 0.427 0.0359 2.33 3.1302 0.9987 2063594 Enamine_005564 CC(C)c1ccc(NC(=O)COc2ccccn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M21 compound treatment 0.387 -0.00378 -0.14 0.389 -0.00206 -0.13 -0.1926 -0.9998 1568445 Enamine_005565 C1CC(CCN1)C2c3ccccc3-c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M22 compound treatment 0.392 0.00122 0.04 0.416 0.0249 1.61 1.1727 0.7264 2063595 Enamine_005566 CCOc1ccc(cc1)C(=O)OCC(=O)NC2CCCCC2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M23 mock treatment 0.393 0.00222 0.08 0.391 -6.25E-5 0.0 0.0548 0.6712 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 M24 mock treatment 0.389 -0.00178 -0.07 0.393 0.00194 0.13 0.0424 0.2998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N01 compound treatment 0.396 0.00522 0.19 0.407 0.0159 1.03 0.8648 0.8244 2063596 Enamine_005567 COC(=O)c1cc(CCl)oc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N02 compound treatment 0.412 0.0212 0.78 0.409 0.0179 1.16 1.3718 0.9812 2063597 Enamine_005568 CC(NC(=O)CCc1nc2ccccc2s1)C3CC4CCC3C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N03 compound treatment 0.401 0.0102 0.38 0.399 0.00794 0.51 0.6285 0.9881 2063598 Enamine_005569 Cc1cnc(cn1)C(=O)NCc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N04 compound treatment 0.387 -0.00378 -0.14 0.395 0.00394 0.25 0.082 0.2825 2063599 Enamine_005570 CN(C(=O)COC(=O)c1ccc(C)cc1O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N05 compound treatment 0.392 0.00122 0.04 0.4 0.00894 0.58 0.4406 0.7596 2063600 Enamine_005571 Oc1ccccc1N2CCN(CC2)C(=O)CCOc3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N06 compound treatment 0.394 0.00322 0.12 0.397 0.00594 0.38 0.3553 0.8838 2063601 Enamine_005572 Fc1ccc(cc1)C(=O)CCC(=O)N2CC(=O)Nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N07 compound treatment 0.399 0.00822 0.3 0.399 0.00794 0.51 0.5766 0.9679 2063602 Enamine_005573 NC(=O)CSc1nnc(c2ccc(Cl)cc2Cl)n1C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N08 compound treatment 0.393 0.00222 0.08 0.397 0.00594 0.38 0.3293 0.8384 2063603 Enamine_005574 OC(=O)c1nc(c2ccccc2)n(n1)c3cccc(c3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N09 compound treatment 0.418 0.0272 1.0 0.413 0.0219 1.42 1.7106 0.9853 2063604 Enamine_005575 Clc1cc(Cl)cc(NC(=O)CCC(=O)c2cccs2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N10 compound treatment 0.395 0.00422 0.15 0.397 0.00594 0.38 0.3812 0.9202 2063605 Enamine_005576 Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N11 compound treatment 0.396 0.00522 0.19 0.393 0.00194 0.13 0.2242 0.9788 2063606 Enamine_005577 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)OCC(=O)NCc4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N12 compound treatment 0.398 0.00722 0.27 0.4 0.00894 0.58 0.5964 0.9374 2063607 Enamine_005578 CCCCn1c(=O)c(CCC(=O)O)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N13 compound treatment 0.402 0.0112 0.41 0.403 0.0119 0.77 0.8375 0.9567 2063608 Enamine_005579 CNC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N14 compound treatment 0.396 0.00522 0.19 0.394 0.00294 0.19 0.2699 1.0 2063609 Enamine_005580 CC(C)(C)c1cc(N)n(n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N15 compound treatment 0.402 0.0112 0.41 0.411 0.0199 1.29 1.2036 0.8887 2063610 Enamine_005581 CC(C)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N16 compound treatment 0.394 0.00322 0.12 0.403 0.0119 0.77 0.6298 0.8059 1205756 Enamine_005582 CCOc1ccc(OCCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N17 compound treatment 0.403 0.0122 0.45 0.407 0.0159 1.03 1.0465 0.9305 2063611 Enamine_005583 COc1ccccc1CNC(=O)COc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N18 compound treatment 0.371 -0.0198 -0.73 0.375 -0.0161 -1.04 -1.2486 -0.9846 2063612 Enamine_005584 Cc1cccc(OCCOC(=O)c2ccc(O)cc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N19 compound treatment 0.529 0.138 5.08 0.498 0.107 6.92 8.4823 0.9884 1480981 Enamine_005585 Nc1c(C(=O)NCC=C)c2nc3ccccc3nc2n1C4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N20 compound treatment 0.395 0.00422 0.15 0.396 0.00494 0.32 0.3355 0.9448 2063613 Enamine_005586 CC(=O)N1Cc2ccccc2CC1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N21 compound treatment 0.515 0.124 4.56 0.503 0.112 7.24 8.3476 0.9751 1723989 Enamine_005587 COc1cccc(Nc2nc(cs2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N22 compound treatment 0.391 2.19E-4 0.01 0.393 0.00194 0.13 0.0943 0.7509 2063614 Enamine_005588 Cc1cc(C)cc(NCCC(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N23 mock treatment 0.392 0.00122 0.04 0.394 0.00294 0.19 0.1661 0.8503 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 N24 mock treatment 0.387 -0.00378 -0.14 0.387 -0.00406 -0.26 -0.2841 -0.9555 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O01 compound treatment 0.397 0.00622 0.23 0.39 -0.00106 -0.07 0.1129 0.4732 1020245 Enamine_005589 Cc1ccc(cc1)c2ccccc2C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O02 compound treatment 0.425 0.0342 1.26 0.416 0.0249 1.61 2.0296 0.9923 2063615 Enamine_005590 CCc1ccc2c(CCl)cc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O03 compound treatment 0.395 0.00422 0.15 0.398 0.00694 0.45 0.427 0.8991 1035092 Enamine_005591 OC(=O)CCNc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O04 compound treatment 0.402 0.0112 0.41 0.398 0.00694 0.45 0.6088 0.9991 2063616 Enamine_005592 O=C(CC#N)Nc1ccc(cc1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O05 compound treatment 0.399 0.00822 0.3 0.396 0.00494 0.32 0.4393 0.9996 1024935 Enamine_005593 Cc1ccc(o1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O06 compound treatment 0.385 -0.00578 -0.21 0.383 -0.00806 -0.52 -0.519 -0.9215 2063617 Enamine_005594 O/N=C/C(=O)Nc1cccc(c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O07 compound treatment 0.396 0.00522 0.19 0.405 0.0139 0.9 0.7733 0.8386 1024238 Enamine_005595 OC(=O)Cc1ccc2ccccc2c1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O08 compound treatment 0.311 -0.0798 -2.93 0.314 -0.0771 -4.99 -5.5979 -0.9679 1003099 Enamine_005596 Cc1ccc(NN)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O09 compound treatment 0.396 0.00522 0.19 0.399 0.00794 0.51 0.4987 0.9097 2063618 Enamine_005597 CCc1ccc(NC(=O)C(C)Nc2ccc(Br)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O10 compound treatment 0.394 0.00322 0.12 0.401 0.00994 0.64 0.5383 0.8233 2063619 Enamine_005598 COC(=O)C1CCCN1C(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O11 compound treatment 0.42 0.0292 1.07 0.414 0.0229 1.48 1.8083 0.9873 2063620 Enamine_005599 COc1ccc(O)c(c1)C(=O)c2cnn(c2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O12 compound treatment 0.444 0.0532 1.95 0.442 0.0509 3.3 3.7127 0.9689 2063621 Enamine_005600 Cc1ccc(cc1)C(=O)C(CC(=O)Nc2ccc(F)c(F)c2)c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O13 compound treatment 0.396 0.00522 0.19 0.407 0.0159 1.03 0.8648 0.8244 2063622 Enamine_005601 OC(=O)c1cn(nc1C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O14 compound treatment 0.411 0.0202 0.74 0.402 0.0109 0.71 1.0255 0.9997 2063623 Enamine_005602 CN(C)C(=S)SCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O15 compound treatment 0.402 0.0112 0.41 0.395 0.00394 0.25 0.4715 0.9733 1022715 Enamine_005603 CNS(=O)(=O)c1ccc2ccccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O16 compound treatment 0.391 2.19E-4 0.01 0.401 0.00994 0.64 0.4604 0.7159 2063624 Enamine_005604 Fc1cccc(/C=C/C(=O)OCc2c(Cl)nc3sccn23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O17 compound treatment 0.417 0.0262 0.96 0.413 0.0219 1.42 1.6846 0.9821 2063625 Enamine_005605 CC(C)c1cc2oc(=O)cc(CCl)c2cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O18 compound treatment 0.406 0.0152 0.56 0.405 0.0139 0.9 1.0329 0.9735 2063626 Enamine_005606 CN(C)c1ccc(cc1)C2NCC(CSc3ccc(C)cc3)O2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O19 compound treatment 0.395 0.00422 0.15 0.399 0.00794 0.51 0.4728 0.8812 1486354 Enamine_005607 O=c1c(C#N)c(c(C#N)c2sc3ccccc3n12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O20 compound treatment 0.392 0.00122 0.04 0.398 0.00694 0.45 0.3491 0.7738 2063627 Enamine_005608 COc1ccc(CCNC(=O)COc2cc(C)c3ccccc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O21 compound treatment 0.373 -0.0178 -0.65 0.372 -0.0191 -1.23 -1.334 -0.9558 2063628 Enamine_005609 Oc1ccc2c(CCl)cc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O22 compound treatment 0.396 0.00522 0.19 0.397 0.00594 0.38 0.4072 0.9484 2063629 Enamine_005610 CCNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c3ccc(Cl)cc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O23 mock treatment 0.394 0.00322 0.12 0.387 -0.00406 -0.26 -0.1023 -0.355 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 O24 mock treatment 0.383 -0.00778 -0.29 0.39 -0.00106 -0.07 -0.2507 -0.8529 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P01 compound treatment 0.391 2.19E-4 0.01 0.395 0.00394 0.25 0.1859 0.729 2063630 Enamine_005611 Cl/C(=C\C#N)/c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P02 compound treatment 0.398 0.00722 0.27 0.394 0.00294 0.19 0.3219 0.9867 2063631 Enamine_005612 O=C(Nc1ccccc1N2CCCCC2)C3CN(Cc4ccccc4)C(=O)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P03 compound treatment 0.4 0.00922 0.34 0.403 0.0119 0.77 0.7856 0.9315 2063632 Enamine_005613 O=C(COn1nnc2ccccc12)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P04 compound treatment 0.394 0.00322 0.12 0.398 0.00694 0.45 0.401 0.8638 2063633 Enamine_005614 Cc1cc(C)cc(c1)C(=O)NCC(=O)N2CCN(CC2)c3cccc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P05 compound treatment 0.384 -0.00678 -0.25 0.379 -0.0121 -0.78 -0.728 -0.8886 2063634 Enamine_005615 Oc1ccccc1N2CCN(CC2)C(=O)/C=C/c3cccc(Br)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P06 compound treatment 0.399 0.00822 0.3 0.398 0.00694 0.45 0.5309 0.9813 2063635 Enamine_005616 CC(Nc1ccccc1C)C(=O)Nc2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P07 compound treatment 0.454 0.0632 2.32 0.445 0.0539 3.49 4.1096 0.9804 1199017 Enamine_005617 COC(=O)c1c(N)sc2CCCc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P08 compound treatment 0.398 0.00722 0.27 0.396 0.00494 0.32 0.4134 0.9957 2063636 Enamine_005618 OC(c1nnc(o1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P09 compound treatment 0.416 0.0252 0.93 0.415 0.0239 1.55 1.7502 0.9698 2063637 Enamine_005619 Cc1cc(C)cc(c1)C(=O)OCC(=O)Nc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P10 compound treatment 0.393 0.00222 0.08 0.388 -0.00306 -0.2 -0.0825 -0.3851 2063638 Enamine_005620 CC(C)(C)C(=O)Nc1ccc2OCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P11 compound treatment 0.4 0.00922 0.34 0.394 0.00294 0.19 0.3738 0.9628 1171048 Enamine_005621 CC1CC(C)CN(C1)C(=O)COC(=O)c2cccc(C)c2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P12 compound treatment 0.388 -0.00278 -0.1 0.39 -0.00106 -0.07 -0.1208 -0.9815 2063639 Enamine_005622 CN(c1ccc(O)cc1)S(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P13 compound treatment 0.399 0.00822 0.3 0.389 -0.00206 -0.13 0.119 0.3607 2063640 Enamine_005623 Cc1nn(c2ccccc2Cl)c3sc(cc13)C(=O)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P14 compound treatment 0.345 -0.0458 -1.68 0.34 -0.0511 -3.3 -3.5253 -0.9509 2063641 Enamine_005624 Oc1ccccc1C(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P15 compound treatment 0.395 0.00422 0.15 0.397 0.00594 0.38 0.3812 0.9202 2063642 Enamine_005625 Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(=O)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P16 compound treatment 0.394 0.00322 0.12 0.394 0.00294 0.19 0.218 0.9739 1049914 Enamine_005626 OC(=O)c1ccc(cc1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P17 compound treatment 0.405 0.0142 0.52 0.397 0.00594 0.38 0.6409 0.9886 2063643 Enamine_005627 Cc1nc2ccccc2c(C)c1CC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P18 compound treatment 0.39 -7.81E-4 -0.03 0.397 0.00594 0.38 0.2514 0.6525 2063644 Enamine_005628 Oc1ccc(cc1)C(=O)OC2CCCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P19 compound treatment 0.398 0.00722 0.27 0.401 0.00994 0.64 0.6422 0.9232 2063645 Enamine_005629 ClCc1cc(=O)n2c3ccccc3sc2c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P20 compound treatment 0.394 0.00322 0.12 0.4 0.00894 0.58 0.4925 0.8344 1334524 Enamine_005630 CCOc1ccc(CCN)cc1OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P21 compound treatment 0.397 0.00622 0.23 0.404 0.0129 0.84 0.7535 0.8683 1677496 Enamine_005631 CC1(CCS(=O)(=O)C1)NCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P22 compound treatment 0.391 2.19E-4 0.01 0.391 -6.25E-5 0.0 0.0028 0.3136 2063646 Enamine_005632 ClCCCC(=O)N1CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P23 mock treatment 0.396 0.00522 0.19 0.396 0.00494 0.32 0.3614 0.9701 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1409 P24 mock treatment 0.399 0.00822 0.3 0.391 -6.25E-5 0.0 0.2106 0.6976 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A01 compound treatment 0.364 -0.0288 -1.06 0.358 -0.0332 -2.15 -2.2674 -0.9465 2063647 Enamine_005633 OC(=O)/C=C/c1c(Cl)nc2sccn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A02 compound treatment 0.394 0.00122 0.04 0.392 7.81E-4 0.05 0.0674 0.9982 2063648 Enamine_005634 CN(C)CC1CCCCC1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A03 compound treatment 0.395 0.00222 0.08 0.388 -0.00322 -0.21 -0.0897 -0.4009 2063649 Enamine_005635 CCOC(=O)N1CCN(CC1)c2ccc(O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A04 compound treatment 0.389 -0.00378 -0.14 0.395 0.00378 0.24 0.0748 0.266 2063650 Enamine_005636 CC(=O)Nc1ccc(SC(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A05 compound treatment 0.388 -0.00478 -0.18 0.389 -0.00222 -0.14 -0.2257 -0.995 2063651 Enamine_005637 Brc1ccc(SCC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A06 compound treatment 0.391 -0.00178 -0.07 0.391 -2.19E-4 -0.01 -0.0563 -0.8407 2063652 Enamine_005638 CCn1c(C)[n+](CC)c2cc(Cl)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A07 compound treatment 0.398 0.00522 0.19 0.388 -0.00322 -0.21 -0.0118 -0.0416 2063653 Enamine_005639 Clc1ccc(cn1)S(=O)(=O)N(Cc2ccccc2)Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A08 compound treatment 0.395 0.00222 0.08 0.395 0.00378 0.24 0.2306 0.8943 2063654 Enamine_005640 O=C(N/C(=C/C=C/c1ccccc1)/C(=O)N2CCCCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A09 compound treatment 0.383 -0.00978 -0.36 0.397 0.00578 0.37 0.0106 0.0204 2063655 Enamine_005641 Cc1ccc2c(CN3C(=O)C4CC=CCC4C3=O)cc(=O)oc2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A10 compound treatment 0.386 -0.00678 -0.25 0.398 0.00678 0.44 0.1342 0.266 1082219 Enamine_005642 C[N+]1(CCCl)CC[N+](C)(CCCl)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A11 compound treatment 0.384 -0.00878 -0.32 0.396 0.00478 0.31 -0.0092 -0.0207 2063656 Enamine_005643 COc1ccccc1CNC(=O)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A12 compound treatment 0.385 -0.00778 -0.29 0.392 7.81E-4 0.05 -0.1663 -0.5731 2063657 Enamine_005644 FC(F)(F)c1cccc(NC(=O)CBr)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A13 compound treatment 0.388 -0.00478 -0.18 0.386 -0.00522 -0.34 -0.363 -0.9536 2063658 Enamine_005645 CN(C)C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A14 compound treatment 0.389 -0.00378 -0.14 0.393 0.00178 0.12 -0.0167 -0.0924 1084186 Enamine_005646 CCOc1ccc(NC(=O)CCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A15 compound treatment 0.391 -0.00178 -0.07 0.389 -0.00222 -0.14 -0.1478 -0.9366 2063659 Enamine_005647 CC(Oc1cccc(C)c1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A16 compound treatment 0.39 -0.00278 -0.1 0.387 -0.00422 -0.27 -0.2653 -0.91 1649184 Enamine_005648 OC(=O)CCCC(=O)Nc1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A17 compound treatment 0.423 0.0302 1.11 0.43 0.0388 2.51 2.5592 0.9327 2063660 Enamine_005649 OC(=O)c1oc2ccccc2c1COc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A18 compound treatment 0.392 -7.81E-4 -0.03 0.391 -2.19E-4 -0.01 -0.0303 -0.947 2063661 Enamine_005650 CCS(=O)(=O)/N=C(\N)/c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A19 compound treatment 0.388 -0.00478 -0.18 0.388 -0.00322 -0.21 -0.2714 -0.9964 2063662 Enamine_005651 O=C(CCC(=O)c1cccs1)N2CC(=O)Nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A20 compound treatment 0.394 0.00122 0.04 0.384 -0.00722 -0.47 -0.2987 -0.6364 1292768 Enamine_005652 NC(=O)C1OC(OC1C(=O)N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A21 compound treatment 0.383 -0.00978 -0.36 0.388 -0.00322 -0.21 -0.4013 -0.9664 2063663 Enamine_005653 COc1ccc(/C=C/C(=O)Nc2cc(C)[nH]n2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A22 compound treatment 0.392 -7.81E-4 -0.03 0.383 -0.00822 -0.53 -0.3964 -0.7442 1029038 Enamine_005654 OC(c1ccccc1)(c2ccccc2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A23 mock treatment 0.389 -0.00378 -0.14 0.386 -0.00522 -0.34 -0.337 -0.9229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 A24 mock treatment 0.368 -0.0248 -0.91 0.379 -0.0122 -0.79 -1.2026 -0.9975 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B01 compound treatment 0.403 0.0102 0.38 0.396 0.00478 0.31 0.4841 0.9954 1585300 Enamine_005655 COc1ccc2nc(NC(=O)C(C)C)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B02 compound treatment 0.4 0.00722 0.27 0.402 0.0108 0.7 0.6808 0.9122 1914387 Enamine_005656 COC(=O)C(N)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B03 compound treatment 0.411 0.0182 0.67 0.405 0.0138 0.89 1.1037 0.99 1655726 Enamine_005657 O=C(NCc1ccccc1)C2CC3CCC2C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B04 compound treatment 0.41 0.0172 0.63 0.406 0.0148 0.96 1.1235 0.9798 1183226 Enamine_005658 CC12COC3(CC2CCC13C)C(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B05 compound treatment 0.408 0.0152 0.56 0.412 0.0208 1.34 1.3461 0.9243 1229631 Enamine_005659 OC(=O)CCCc1c[nH]c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B06 compound treatment 0.406 0.0132 0.49 0.408 0.0168 1.09 1.1111 0.9341 2063664 Enamine_005660 NC(=O)c1cnn(c1N)c2ccc(cn2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B07 compound treatment 0.41 0.0172 0.63 0.404 0.0128 0.83 1.032 0.9912 1048256 Enamine_005661 OCN1CCCC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B08 compound treatment 0.453 0.0602 2.21 0.445 0.0538 3.48 4.0246 0.976 1190329 Enamine_005662 CC(NC(=O)c1ccc(s1)C(=O)NC(C)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B09 compound treatment 0.415 0.0222 0.82 0.408 0.0168 1.09 1.3448 0.9901 1077023 Enamine_005663 O=C(NC(=O)c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B10 compound treatment 0.503 0.11 4.05 0.492 0.101 6.52 7.4735 0.9737 1739683 Enamine_005664 CSC1=C(C#N)C(C(=C(C)N1)C(=O)c2ccccc2)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B11 compound treatment 0.404 0.0112 0.41 0.405 0.0138 0.89 0.9219 0.9385 1061015 Enamine_005665 ClN(Cl)S(=O)(=O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B12 compound treatment 0.401 0.00822 0.3 0.407 0.0158 1.02 0.9355 0.8785 2063665 Enamine_005666 OC(CCl)CN1C(=O)CSC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B13 compound treatment 0.417 0.0242 0.89 0.41 0.0188 1.22 1.4883 0.9882 1690257 Enamine_005667 CC(C1CC1)N(C(=O)c2ccccc2OC(=O)C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B14 compound treatment 0.404 0.0112 0.41 0.402 0.0108 0.7 0.7846 0.9684 2063666 Enamine_005668 C(c1ccccc1)n2cnnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B15 compound treatment 0.403 0.0102 0.38 0.4 0.00878 0.57 0.6672 0.9797 2063667 Enamine_005669 OC(=O)CC1(CC2CC3CC(Cl)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B16 compound treatment 0.404 0.0112 0.41 0.404 0.0128 0.83 0.8762 0.9482 2063668 Enamine_005670 C[S+](C)c1c(nc2ccccn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B17 compound treatment 0.49 0.0972 3.57 0.458 0.0668 4.32 5.5802 0.9955 1207179 Enamine_005671 O=C(N1c2ccccc2C=Cc3ccccc13)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B18 compound treatment 0.403 0.0102 0.38 0.396 0.00478 0.31 0.4841 0.9954 1388907 Enamine_005672 CCN(CC)CCn1c(NCc2ccc(C)o2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B19 compound treatment 0.402 0.00922 0.34 0.405 0.0138 0.89 0.87 0.912 2494 Enamine_005673 CCNc1nc(Cl)nc(NCC)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B20 compound treatment 0.401 0.00822 0.3 0.398 0.00678 0.44 0.5237 0.9833 1163883 Enamine_005674 Cc1nc2nc3ccccc3nc2n1c4ccc(F)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B21 compound treatment 0.405 0.0122 0.45 0.403 0.0118 0.76 0.8564 0.9681 2063669 Enamine_005675 N#CCn1nnc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B22 compound treatment 0.411 0.0182 0.67 0.405 0.0138 0.89 1.1037 0.99 2063670 Enamine_005676 Oc1nc2ccccn2c1c3c(O)nc4ccccn34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B23 mock treatment 0.402 0.00922 0.34 0.396 0.00478 0.31 0.4582 0.999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 B24 mock treatment 0.392 -7.81E-4 -0.03 0.4 0.00878 0.57 0.3815 0.6706 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C01 compound treatment 0.316 -0.0768 -2.82 0.321 -0.0702 -4.54 -5.2068 -0.9737 2063671 Enamine_005677 Cc1ccc(cc1)S(=O)(=O)c2ccc(NN)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C02 compound treatment 0.381 -0.0118 -0.43 0.375 -0.0162 -1.05 -1.0481 -0.9232 2063672 Enamine_005678 CC(C)(C)c1nnc(N)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C03 compound treatment 0.487 0.0942 3.46 0.485 0.0938 6.07 6.7378 0.9645 2063673 Enamine_005679 CCOc1cc(/C=C/2\C(=O)Nc3ccccc23)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C04 compound treatment 0.389 -0.00378 -0.14 0.38 -0.0112 -0.73 -0.6115 -0.8274 1345363 Enamine_005680 COC(=O)C1(CCCC2(CCC1)C(=O)N)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C05 compound treatment 0.382 -0.0108 -0.4 0.376 -0.0152 -0.98 -0.9763 -0.9198 2063674 Enamine_005681 CCc1ccccc1N2CC(CC2=O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C06 compound treatment 0.383 -0.00978 -0.36 0.382 -0.00922 -0.6 -0.6758 -0.9705 2063675 Enamine_005682 Cc1scc(c2ccccc2)[n+]1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C07 compound treatment 0.437 0.0442 1.62 0.429 0.0378 2.44 2.877 0.9802 2063676 Enamine_005683 ClCc1nc2sc3CCCc3c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C08 compound treatment 0.391 -0.00178 -0.07 0.388 -0.00322 -0.21 -0.1935 -0.8865 2063677 Enamine_005684 CNC(=O)/C(=C\c1ccccc1)/NC(=O)c2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C09 compound treatment 0.431 0.0382 1.4 0.423 0.0318 2.06 2.4467 0.9826 2063678 Enamine_005685 CN(C)c1ccc(CC(=O)c2nc3ccccc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C10 compound treatment 0.385 -0.00778 -0.29 0.383 -0.00822 -0.53 -0.5781 -0.9576 2063679 Enamine_005686 CCCc1ccc(OCCNC(=O)c2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C11 compound treatment 0.398 0.00522 0.19 0.397 0.00578 0.37 0.4001 0.9517 2063680 Enamine_005687 FC(F)(F)c1ccccc1C(=O)Nc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C12 compound treatment 0.387 -0.00578 -0.21 0.383 -0.00822 -0.53 -0.5262 -0.9189 2063681 Enamine_005688 C[N+]1(CCOCc2ccccc2)CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C13 compound treatment 0.384 -0.00878 -0.32 0.377 -0.0142 -0.92 -0.8786 -0.9012 2063682 Enamine_005689 CN(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C14 compound treatment 0.382 -0.0108 -0.4 0.382 -0.00922 -0.6 -0.7018 -0.9802 2063683 Enamine_005690 OC(=O)/C=C\C(=O)Nc1cccc(c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C15 compound treatment 0.378 -0.0148 -0.54 0.38 -0.0112 -0.73 -0.8972 -0.9897 1014994 Enamine_005691 CN(C)Cc1c[nH]c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C16 compound treatment 0.398 0.00522 0.19 0.401 0.00978 0.63 0.5831 0.8817 1027977 Enamine_005692 O=C1C=CC(=O)N1c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C17 compound treatment 0.387 -0.00578 -0.21 0.388 -0.00322 -0.21 -0.2974 -1.0 2063684 Enamine_005693 N#Cc1ccc(COc2cnc3ccccc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C18 compound treatment 0.375 -0.0178 -0.65 0.379 -0.0122 -0.79 -1.0208 -0.9955 2063685 Enamine_005694 N/C(=N\S(=O)(=O)c1ccc(Br)cc1)/c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C19 compound treatment 0.424 0.0312 1.15 0.426 0.0348 2.25 2.4022 0.951 2063686 Enamine_005695 Cc1ccc(C)c(c1)C(=O)COC(=O)/C=C/c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C20 compound treatment 0.38 -0.0128 -0.47 0.382 -0.00922 -0.6 -0.7537 -0.993 2063687 Enamine_005696 CC(=O)Nc1nc2nc(C)cc(C)[n+]2n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C21 compound treatment 0.379 -0.0138 -0.51 0.376 -0.0152 -0.98 -1.0542 -0.9521 2063688 Enamine_005697 Cc1cccc(NC(=O)OC2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C22 compound treatment 0.377 -0.0158 -0.58 0.373 -0.0182 -1.18 -1.2434 -0.9465 1022174 Enamine_005698 O=S(=O)(Nc1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C23 mock treatment 0.376 -0.0168 -0.62 0.371 -0.0202 -1.31 -1.3609 -0.941 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 C24 mock treatment 0.377 -0.0158 -0.58 0.377 -0.0142 -0.92 -1.0604 -0.9752 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D01 compound treatment 0.366 -0.0268 -0.98 0.369 -0.0222 -1.44 -1.7121 -0.9828 1224164 Enamine_005699 COc1ccc2Nc3ccccc3S(=O)(=O)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D02 compound treatment 0.391 -0.00178 -0.07 0.394 0.00278 0.18 0.081 0.423 1480287 Enamine_005700 CCOC(=O)C1(CCC2(CC1)C(=O)N)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D03 compound treatment 0.402 0.00922 0.34 0.401 0.00978 0.63 0.6869 0.957 2063689 Enamine_005701 BrCc1ccc(cc1)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D04 compound treatment 0.394 0.00122 0.04 0.403 0.0118 0.76 0.5707 0.7473 1718206 Enamine_005702 CN(C1CCN(C)CC1)C(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D05 compound treatment 0.395 0.00222 0.08 0.434 0.0428 2.77 2.0152 0.7276 2063690 Enamine_005703 Nc1cc(ccc1Cl)S(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D06 compound treatment 0.462 0.0692 2.54 0.462 0.0708 4.58 5.0362 0.9614 1508581 Enamine_005704 COc1ccc(cc1)C(O)CN2CCC(=CC2)c3ccc(cc3)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D07 compound treatment 0.405 0.0122 0.45 0.401 0.00978 0.63 0.7648 0.9858 1012002 Enamine_005705 CN(C)CC1CCCCC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D08 compound treatment 0.4 0.00722 0.27 0.399 0.00778 0.5 0.5435 0.9551 2063691 Enamine_005706 Fc1ccccc1OCC(=O)/N=C(\Nc2ccccc2)/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D09 compound treatment 0.401 0.00822 0.3 0.393 0.00178 0.12 0.2949 0.9129 2063692 Enamine_005707 ClCCOc1ccc(Br)cc1OCCCl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D10 compound treatment 0.406 0.0132 0.49 0.404 0.0128 0.83 0.9281 0.9677 1121998 Enamine_005708 O=C1Cc2ccccc2C(=O)N1n3cnnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D11 compound treatment 0.402 0.00922 0.34 0.397 0.00578 0.37 0.5039 0.9988 1237409 Enamine_005709 ONC(=O)C1(CCC2CC1)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D12 compound treatment 0.456 0.0632 2.32 0.419 0.0278 1.8 2.9128 0.992 2063693 Enamine_005710 Clc1ccc(/C=C/C2=Nc3ccccc3NC(=O)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D13 compound treatment 0.413 0.0202 0.74 0.422 0.0308 1.99 1.9335 0.9095 1921864 Enamine_005711 CC(NC(=O)c1cc(Cl)c(C)cc1Cl)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D14 compound treatment 0.391 -0.00178 -0.07 0.401 0.00978 0.63 0.4013 0.6307 1701181 Enamine_005712 OCCCc1nc2ccccc2n1C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D15 compound treatment 0.389 -0.00378 -0.14 0.396 0.00478 0.31 0.1206 0.3556 1729379 Enamine_005713 ONC(=O)C1(CCCC2CCC1)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D16 compound treatment 0.443 0.0502 1.84 0.455 0.0638 4.13 4.2225 0.9341 2063694 Enamine_005714 FC(F)(F)c1ccc(NCCNc2ccc(cn2)C(F)(F)F)nc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D17 compound treatment 0.405 0.0122 0.45 0.405 0.0138 0.89 0.9479 0.9495 2063695 Enamine_005715 OC(=O)CCC1(CC2CC3CC(Cl)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D18 compound treatment 0.401 0.00822 0.3 0.401 0.00978 0.63 0.661 0.9426 2063696 Enamine_005716 Nc1cc(ccc1n2cncn2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D19 compound treatment 0.393 2.19E-4 0.01 0.395 0.00378 0.24 0.1787 0.7299 2063697 Enamine_005717 CC1(CN)CCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D20 compound treatment 0.396 0.00322 0.12 0.389 -0.00222 -0.14 -0.0179 -0.0965 1178485 Enamine_005718 O=C(COc1ccc(cc1)c2ccccc2)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D21 compound treatment 0.417 0.0242 0.89 0.413 0.0218 1.41 1.6255 0.9753 2063698 Enamine_005719 Cc1ccc(OC(=O)Nc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D22 compound treatment 0.392 -7.81E-4 -0.03 0.393 0.00178 0.12 0.0612 0.5154 1615376 Enamine_005720 CN(C1CCN(C)CC1)C(=O)c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D23 mock treatment 0.39 -0.00278 -0.1 0.392 7.81E-4 0.05 -0.0365 -0.32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 D24 mock treatment 0.389 -0.00378 -0.14 0.392 7.81E-4 0.05 -0.0624 -0.4225 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E01 compound treatment 0.399 0.00622 0.23 0.392 7.81E-4 0.05 0.1972 0.8432 1024400 Enamine_005721 COC(=O)C(N)Cc1c[nH]c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E02 compound treatment 0.403 0.0102 0.38 0.4 0.00878 0.57 0.6672 0.9797 2063699 Enamine_005722 OC(=O)CSCc1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E03 compound treatment 0.403 0.0102 0.38 0.396 0.00478 0.31 0.4841 0.9954 1120213 Enamine_005723 CC1CC(C)CN(C1)C(=O)CN2C(=O)c3ccccc3S2(=O)=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E04 compound treatment 0.408 0.0152 0.56 0.411 0.0198 1.28 1.3003 0.931 1220826 Enamine_005724 Oc1ccc(cc1)C2CC3CC2C4C=CCC34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E05 compound treatment 0.399 0.00622 0.23 0.399 0.00778 0.5 0.5175 0.936 2063700 Enamine_005725 Fc1ccccc1S(=O)(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E06 compound treatment 0.407 0.0142 0.52 0.403 0.0118 0.76 0.9083 0.983 2063701 Enamine_005726 CC[n+]1c(C)sc2cc(SC)c(OC)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E07 compound treatment 0.408 0.0152 0.56 0.4 0.00878 0.57 0.797 1.0 1053711 Enamine_005727 CSc1ccccc1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E08 compound treatment 0.417 0.0242 0.89 0.405 0.0138 0.89 1.2595 1.0 2063702 Enamine_005728 CNC(=O)/C(=C\c1ccc(OC)cc1)/NC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E09 compound treatment 0.411 0.0182 0.67 0.4 0.00878 0.57 0.8749 0.9967 2063703 Enamine_005729 Cc1cc(N)n(n1)c2nc3ccccc3n2Cc4ccc(C#N)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E10 compound treatment 0.405 0.0122 0.45 0.403 0.0118 0.76 0.8564 0.9681 2063704 Enamine_005730 Clc1ccccc1OCCNC(=O)c2ccccc2Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E11 compound treatment 0.448 0.0552 2.03 0.444 0.0528 3.42 3.849 0.969 2063705 Enamine_005731 O=C(OCC#N)c1cc(nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E12 compound treatment 0.407 0.0142 0.52 0.405 0.0138 0.89 0.9998 0.9675 1129488 Enamine_005732 CCOC(=O)c1ccc(C[N+]2(C)CCOCC2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E13 compound treatment 0.451 0.0582 2.14 0.44 0.0488 3.16 3.7439 0.982 2063706 Enamine_005733 Cc1ccsc1C(=O)OC(C(=O)c2c[nH]c3ccccc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E14 compound treatment 0.394 0.00122 0.04 0.396 0.00478 0.31 0.2504 0.8011 2063707 Enamine_005734 CCCC(=O)Nc1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E15 compound treatment 0.403 0.0102 0.38 0.4 0.00878 0.57 0.6672 0.9797 1022178 Enamine_005735 O=S(=O)(NC1CCCCC1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E16 compound treatment 0.431 0.0382 1.4 0.444 0.0528 3.42 3.4076 0.9228 2063708 Enamine_005736 O=C(Cc1cccc2ccccc12)NCCOc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E17 compound treatment 0.401 0.00822 0.3 0.412 0.0208 1.34 1.1643 0.8448 2063709 Enamine_005737 FC(F)(F)CNC(=O)CSc1nc2ccccc2o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E18 compound treatment 0.408 0.0152 0.56 0.409 0.0178 1.15 1.2088 0.945 1663373 Enamine_005738 O=C(CC#N)NS(=O)(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E19 compound treatment 0.425 0.0322 1.18 0.428 0.0368 2.38 2.5196 0.9479 2063710 Enamine_005739 CCOc1ccc(NC(=O)c2cc(O)nc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E20 compound treatment 0.402 0.00922 0.34 0.402 0.0108 0.7 0.7327 0.9449 1042637 Enamine_005740 C(N1CCOCC1)c2ccc(CN3CCOCC3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E21 compound treatment 0.399 0.00622 0.23 0.398 0.00678 0.44 0.4718 0.9537 2063711 Enamine_005741 CN(C(=O)C)S(=O)(=O)c1ccc(C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E22 compound treatment 0.4 0.00722 0.27 0.394 0.00278 0.18 0.3147 0.9822 1003216 Enamine_005742 CN(C)S(=O)(=O)c1ccc(C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E23 mock treatment 0.393 2.19E-4 0.01 0.394 0.00278 0.18 0.1329 0.7379 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 E24 mock treatment 0.395 0.00222 0.08 0.389 -0.00222 -0.14 -0.0439 -0.266 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F01 compound treatment 0.398 0.00522 0.19 0.399 0.00778 0.5 0.4916 0.9124 2063712 Enamine_005743 Cc1cc(C)n(CCC(=O)N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F02 compound treatment 0.403 0.0102 0.38 0.402 0.0108 0.7 0.7587 0.9577 1457786 Enamine_005744 CCc1nc2ccccc2c(C(=O)O)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F03 compound treatment 0.408 0.0152 0.56 0.409 0.0178 1.15 1.2088 0.945 1502916 Enamine_005745 NC1(CC2CC3C1)CC(C2)(C3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F04 compound treatment 0.404 0.0112 0.41 0.41 0.0188 1.22 1.1507 0.8967 2063713 Enamine_005746 CN(C)c1ccc(/C=N/c2ccccc2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F05 compound treatment 0.409 0.0162 0.6 0.405 0.0138 0.89 1.0517 0.9807 2063714 Enamine_005747 CCOC(=O)c1oc2ccccc2c1CBr 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F06 compound treatment 0.41 0.0172 0.63 0.406 0.0148 0.96 1.1235 0.9798 2063715 Enamine_005748 CC1CC(C)CN(C1)C(=O)c2cc3CCCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F07 compound treatment 0.413 0.0202 0.74 0.407 0.0158 1.02 1.2471 0.9877 2063716 Enamine_005749 N/C(=N\c1ccc(Cl)cc1)/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F08 compound treatment 0.44 0.0472 1.73 0.415 0.0238 1.54 2.3143 0.9982 2063717 Enamine_005750 Cc1ccc2nc(sc2c1)c3ccc(cc3)n4ccc(=O)cc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F09 compound treatment 0.398 0.00522 0.19 0.412 0.0208 1.34 1.0864 0.7998 1913347 Enamine_005751 OCCOc1ccc(Br)cc1OCCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F10 compound treatment 0.41 0.0172 0.63 0.4 0.00878 0.57 0.8489 0.9986 2063718 Enamine_005752 OCc1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F11 compound treatment 0.408 0.0152 0.56 0.409 0.0178 1.15 1.2088 0.945 1263076 Enamine_005753 COc1ccc(Nc2ccccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F12 compound treatment 0.447 0.0542 1.99 0.44 0.0488 3.16 3.64 0.9753 1345229 Enamine_005754 Clc1ccc(cc1)S(=O)(=O)NCC(Nc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F13 compound treatment 0.416 0.0232 0.85 0.406 0.0148 0.96 1.2793 0.9984 1084281 Enamine_005755 CC(N)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F14 compound treatment 0.454 0.0612 2.25 0.462 0.0708 4.58 4.8284 0.9463 2063719 Enamine_005756 CN/C(=N/c1cc(ccc1n2ccnc2)C(F)(F)F)/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F15 compound treatment 0.408 0.0152 0.56 0.408 0.0168 1.09 1.1631 0.9523 2063720 Enamine_005757 NC(=O)C1(CCCC2(Br)CCC1)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F16 compound treatment 0.405 0.0122 0.45 0.41 0.0188 1.22 1.1767 0.9082 1398168 Enamine_005758 CCOC(=O)c1cc(CO)c(C)nc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F17 compound treatment 0.415 0.0222 0.82 0.419 0.0278 1.8 1.8482 0.9361 2063721 Enamine_005759 OC(=O)CCC1(CC2CC3CC(Br)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F18 compound treatment 0.414 0.0212 0.78 0.424 0.0328 2.12 2.051 0.9076 2063722 Enamine_005760 CN1/C(=C/C(=O)CC(=O)N)/C(C)(C)c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F19 compound treatment 0.419 0.0262 0.96 0.419 0.0278 1.8 1.952 0.9572 1775073 Enamine_005761 OC(=O)c1ccccc1NC(=O)c2cc[n+]([O-])cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F20 compound treatment 0.423 0.0302 1.11 0.421 0.0298 1.93 2.1474 0.9656 2063723 Enamine_005762 Fc1ccc(cc1)c2c(c3ccc(Cl)cc3)n4ncnc4[nH]c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F21 compound treatment 0.39 -0.00278 -0.1 0.393 0.00178 0.12 0.0093 0.0603 1045526 Enamine_005763 Cc1cccc(OC(=O)Nc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F22 compound treatment 0.41 0.0172 0.63 0.41 0.0188 1.22 1.3065 0.9536 2063724 Enamine_005764 OCCN(Cc1ccccc1)C(=O)c2cn(nc2c3cccs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F23 mock treatment 0.406 0.0132 0.49 0.396 0.00478 0.31 0.562 0.9763 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 F24 mock treatment 0.398 0.00522 0.19 0.403 0.0118 0.76 0.6746 0.8582 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G01 compound treatment 0.395 0.00222 0.08 0.387 -0.00422 -0.27 -0.1354 -0.4754 1608150 Enamine_005765 OC(=O)Cc1ccc2OCCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G02 compound treatment 0.398 0.00522 0.19 0.399 0.00778 0.5 0.4916 0.9124 1365385 Enamine_005766 CCOc1ccc(cc1)S(=O)(=O)NC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G03 compound treatment 0.389 -0.00378 -0.14 0.391 -2.19E-4 -0.01 -0.1082 -0.7752 2063725 Enamine_005767 CCNc1nc(C)nc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G04 compound treatment 0.406 0.0132 0.49 0.396 0.00478 0.31 0.562 0.9763 1720980 Enamine_005768 CC(C)c1ccc(C)cc1OCCN 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G05 compound treatment 0.391 -0.00178 -0.07 0.396 0.00478 0.31 0.1725 0.5456 2063726 Enamine_005769 Cc1cccc(c1)S(=O)(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G06 compound treatment 0.401 0.00822 0.3 0.401 0.00978 0.63 0.661 0.9426 1104246 Enamine_005770 CC[n+]1c(C)sc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G07 compound treatment 0.398 0.00522 0.19 0.399 0.00778 0.5 0.4916 0.9124 1559032 Enamine_005771 Cc1ccc(cc1)N2CC(CC2=O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G08 compound treatment 0.408 0.0152 0.56 0.402 0.0108 0.7 0.8885 0.994 2063727 Enamine_005772 CNC(=O)/C(=C\C=C\c1ccccc1)/NC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G09 compound treatment 0.345 -0.0478 -1.75 0.344 -0.0472 -3.06 -3.4013 -0.9653 2063728 Enamine_005773 CC1(C)CC(=O)C(CC(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G10 compound treatment 0.393 2.19E-4 0.01 0.394 0.00278 0.18 0.1329 0.7379 2063729 Enamine_005774 CCc1ccc(NC(=O)/C=N/O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G11 compound treatment 0.396 0.00322 0.12 0.397 0.00578 0.37 0.3481 0.8873 2063730 Enamine_005775 COc1cccc(/C=C(/C(=O)OCC(=O)N)\c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G12 compound treatment 0.402 0.00922 0.34 0.411 0.0198 1.28 1.1445 0.8644 2063731 Enamine_005776 O=C(NCCOc1ccccc1)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G13 compound treatment 0.401 0.00822 0.3 0.392 7.81E-4 0.05 0.2492 0.8142 2063732 Enamine_005777 COc1ccc(CCNC(=O)/C=C/c2ccc(F)cc2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G14 compound treatment 0.409 0.0162 0.6 0.409 0.0178 1.15 1.2348 0.953 1460196 Enamine_005778 CCc1ccc(NC(=O)c2ccccc2N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G15 compound treatment 0.466 0.0732 2.69 0.469 0.0778 5.03 5.4604 0.9569 2063733 Enamine_005779 CCOc1cc(/C=C/C(=O)O)ccc1OCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G16 compound treatment 0.4 0.00722 0.27 0.402 0.0108 0.7 0.6808 0.9122 2063734 Enamine_005780 Cc1ccc(cc1)S(=O)(=O)N2CCOC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G17 compound treatment 0.406 0.0132 0.49 0.404 0.0128 0.83 0.9281 0.9677 2063735 Enamine_005781 Clc1cnnc(OCc2ccc(C#N)cc2)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G18 compound treatment 0.405 0.0122 0.45 0.403 0.0118 0.76 0.8564 0.9681 1191081 Enamine_005782 CC(O)C(=O)NS(=O)(=O)c1ccc(C)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G19 compound treatment 0.394 0.00122 0.04 0.387 -0.00422 -0.27 -0.1614 -0.5834 2063736 Enamine_005783 Clc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G20 compound treatment 0.391 -0.00178 -0.07 0.398 0.00678 0.44 0.264 0.5951 1585162 Enamine_005784 Oc1ccc2c(CN3CCCCC3)c(O)ccc2c1CN4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G21 compound treatment 0.392 -7.81E-4 -0.03 0.395 0.00378 0.24 0.1527 0.62 1087785 Enamine_005785 CC(C)(C)NS(=O)(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G22 compound treatment 0.394 0.00122 0.04 0.392 7.81E-4 0.05 0.0674 0.9982 1003211 Enamine_005786 CNS(=O)(=O)c1ccc(C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G23 mock treatment 0.39 -0.00278 -0.1 0.391 -2.19E-4 -0.01 -0.0822 -0.7975 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 G24 mock treatment 0.391 -0.00178 -0.07 0.393 0.00178 0.12 0.0353 0.266 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H01 compound treatment 0.394 0.00122 0.04 0.397 0.00578 0.37 0.2962 0.7861 2063737 Enamine_005787 O=C1O/C(=N\c2ccccc2)/c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H02 compound treatment 0.393 2.19E-4 0.01 0.398 0.00678 0.44 0.316 0.7199 1441725 Enamine_005788 COc1ccc2CCCN3CCCc1c32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H03 compound treatment 0.573 0.18 6.62 0.569 0.178 11.5 12.8146 0.9655 2063738 Enamine_005789 C=CCN1C(=O)/C(=C\Nc2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H04 compound treatment 0.399 0.00622 0.23 0.398 0.00678 0.44 0.4718 0.9537 2063739 Enamine_005790 CC(C)CCOc1ccc(cc1)C(=O)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H05 compound treatment 0.394 0.00122 0.04 0.4 0.00878 0.57 0.4335 0.7604 1420159 Enamine_005791 Cc1ccc(CC(=O)NCC(O)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H06 compound treatment 0.396 0.00322 0.12 0.394 0.00278 0.18 0.2108 0.9792 1372379 Enamine_005792 Fc1ccc(cc1)C(CNC(=O)C(c2ccccc2)c3ccccc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H07 compound treatment 0.401 0.00822 0.3 0.401 0.00978 0.63 0.661 0.9426 2063740 Enamine_005793 OC(=O)C1=COCCO1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H08 compound treatment 0.397 0.00422 0.15 0.397 0.00578 0.37 0.3741 0.9238 2063741 Enamine_005794 Cc1nn(c(N)c1Sc2c(F)c(F)c(F)c(F)c2F)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H09 compound treatment 0.399 0.00622 0.23 0.395 0.00378 0.24 0.3345 0.9994 1483761 Enamine_005795 CC1(C)OC(C(O1)C(=O)NC2CCCCC2)C(=O)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H10 compound treatment 0.338 -0.0548 -2.01 0.343 -0.0482 -3.12 -3.6289 -0.9775 2063742 Enamine_005796 Cc1nn(c2ccccc2)c3[nH]c(=O)cc(c13)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H11 compound treatment 0.429 0.0362 1.33 0.436 0.0448 2.9 2.9896 0.9376 1211650 Enamine_005797 COc1ccc2Nc3ccccc3Sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H12 compound treatment 0.397 0.00422 0.15 0.399 0.00778 0.5 0.4656 0.8838 2063743 Enamine_005798 COc1ccc(/C=C/C(=O)N(C)c2ccccc2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H13 compound treatment 0.405 0.0122 0.45 0.397 0.00578 0.37 0.5818 0.9959 2063744 Enamine_005799 NC(=O)C1(CCC2CC1)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H14 compound treatment 0.398 0.00522 0.19 0.398 0.00678 0.44 0.4458 0.931 2063745 Enamine_005800 CN/C(=N\c1cc(C)nn1c2ccccc2)/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H15 compound treatment 0.399 0.00622 0.23 0.397 0.00578 0.37 0.426 0.972 2063746 Enamine_005801 OC(=O)C1(CCCC2(Br)CCC1)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H16 compound treatment 0.397 0.00422 0.15 0.397 0.00578 0.37 0.3741 0.9238 2063747 Enamine_005802 C[C@@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@@]1(O)CC#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H17 compound treatment 0.408 0.0152 0.56 0.408 0.0168 1.09 1.1631 0.9523 1365411 Enamine_005803 CC(=O)OC1(CC2CC3C1)CC(C2)(C3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H18 compound treatment 0.404 0.0112 0.41 0.407 0.0158 1.02 1.0134 0.9203 2063748 Enamine_005804 CN1/C(=C/C(=O)C(C#N)C2=NCCC2)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H19 compound treatment 0.406 0.0132 0.49 0.412 0.0208 1.34 1.2942 0.9052 2063749 Enamine_005805 BrCC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H20 compound treatment 0.401 0.00822 0.3 0.398 0.00678 0.44 0.5237 0.9833 2063750 Enamine_005806 CCC1CCCCN1c2nc(C)cc(C)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H21 compound treatment 0.387 -0.00578 -0.21 0.397 0.00578 0.37 0.1144 0.266 2063751 Enamine_005807 Oc1ccc(Oc2c(F)c(F)c(Oc3ccc(O)cc3)c(F)c2F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H22 compound treatment 0.393 2.19E-4 0.01 0.397 0.00578 0.37 0.2702 0.7221 1133842 Enamine_005808 CN(C)CCNC(=O)c1cn(nc1c2ccc(C)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H23 mock treatment 0.392 -7.81E-4 -0.03 0.396 0.00478 0.31 0.1985 0.6388 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 H24 mock treatment 0.403 0.0102 0.38 0.391 -2.19E-4 -0.01 0.2553 0.6799 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I01 compound treatment 0.406 0.0132 0.49 0.402 0.0108 0.7 0.8366 0.9843 1321247 Enamine_005809 Clc1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I02 compound treatment 0.404 0.0112 0.41 0.406 0.0148 0.96 0.9677 0.9291 2063752 Enamine_005810 CC(C)(C)CC(C)(C)NC(=O)C1CCCCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I03 compound treatment 0.406 0.0132 0.49 0.401 0.00978 0.63 0.7908 0.9914 1746599 Enamine_005811 O=C(Cn1cnc2ccccc12)Nc3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I04 compound treatment 0.401 0.00822 0.3 0.402 0.0108 0.7 0.7067 0.9297 2063753 Enamine_005812 CC(C)S(=O)(=O)c1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I05 compound treatment 0.401 0.00822 0.3 0.406 0.0148 0.96 0.8898 0.8871 2063754 Enamine_005813 Clc1ccc(cn1)S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I06 compound treatment 0.382 -0.0108 -0.4 0.381 -0.0102 -0.66 -0.7475 -0.9699 1004232 Enamine_005814 NNc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I07 compound treatment 0.4 0.00722 0.27 0.403 0.0118 0.76 0.7265 0.9001 2063755 Enamine_005815 CSc1cccc(c1)N2CC(CC2=O)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I08 compound treatment 0.412 0.0192 0.71 0.405 0.0138 0.89 1.1296 0.9933 2063756 Enamine_005816 Clc1ccc(OCCNC(=O)c2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I09 compound treatment 0.499 0.106 3.9 0.477 0.0858 5.55 6.6833 0.9851 2063757 Enamine_005817 Nc1oc(cc1C(=O)c2ccccc2)c3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I10 compound treatment 0.409 0.0162 0.6 0.411 0.0198 1.28 1.3263 0.9394 1391602 Enamine_005818 Cc1cc(C(=O)O)c2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I11 compound treatment 0.409 0.0162 0.6 0.411 0.0198 1.28 1.3263 0.9394 2063758 Enamine_005819 CCC(C)(C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I12 compound treatment 0.408 0.0152 0.56 0.412 0.0208 1.34 1.3461 0.9243 1597834 Enamine_005820 NC(=O)CSCC(=O)Nc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I13 compound treatment 0.395 0.00222 0.08 0.399 0.00778 0.5 0.4137 0.811 2063759 Enamine_005821 Oc1ccccc1N2CCN(CC2)C(=O)Cc3ccc(Cl)cc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I14 compound treatment 0.413 0.0202 0.74 0.414 0.0228 1.47 1.5674 0.9496 2063760 Enamine_005822 CC(=O)NCc1ccc(cc1)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I15 compound treatment 0.387 -0.00578 -0.21 0.386 -0.00522 -0.34 -0.3889 -0.975 2063761 Enamine_005823 Cc1cc(C)nc(n1)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I16 compound treatment 0.398 0.00522 0.19 0.411 0.0198 1.28 1.0407 0.804 2063762 Enamine_005824 CCOC(=O)Nc1ccc(C)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I17 compound treatment 0.435 0.0422 1.55 0.44 0.0488 3.16 3.3284 0.9464 2063763 Enamine_005825 CCc1ccc(NC(=O)COc2cnc3ccccc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I18 compound treatment 0.412 0.0192 0.71 0.412 0.0208 1.34 1.45 0.9547 1002809 Enamine_005826 Cc1ccc(cc1)C(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I19 compound treatment 0.401 0.00822 0.3 0.409 0.0178 1.15 1.027 0.8634 2063764 Enamine_005827 Cc1cc(I)ccc1NS(=O)(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I20 compound treatment 0.407 0.0142 0.52 0.421 0.0298 1.93 1.7319 0.8674 2063765 Enamine_005828 ClCCCS(=O)(=O)c1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I21 compound treatment 0.407 0.0142 0.52 0.397 0.00578 0.37 0.6337 0.9866 2063766 Enamine_005829 Cc1ccccc1NC(=O)OC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I22 compound treatment 0.485 0.0922 3.39 0.48 0.0888 5.75 6.4571 0.9682 1168419 Enamine_005830 CC(C)(C)c1sc(N)nc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I23 mock treatment 0.403 0.0102 0.38 0.397 0.00578 0.37 0.5299 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 I24 mock treatment 0.4 0.00722 0.27 0.39 -0.00122 -0.08 0.1317 0.4761 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J01 compound treatment 0.392 -7.81E-4 -0.03 0.388 -0.00322 -0.21 -0.1676 -0.797 2063767 Enamine_005831 CSC(=S)OC1(CC2CC3CC(C)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J02 compound treatment 0.409 0.0162 0.6 0.392 7.81E-4 0.05 0.4569 0.7644 1164051 Enamine_005832 Cc1nn(c(O)c1S(=O)(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J03 compound treatment 0.395 0.00222 0.08 0.392 7.81E-4 0.05 0.0934 0.9737 2063768 Enamine_005833 CC(=O)Nc1ccccc1/C=C/Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J04 compound treatment 0.393 2.19E-4 0.01 0.393 0.00178 0.12 0.0872 0.7546 1501453 Enamine_005834 Cc1cc(CSc2nc(C)cc(C)n2)c3ncccc3c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J05 compound treatment 0.484 0.0912 3.35 0.484 0.0928 6.0 6.6141 0.962 2063769 Enamine_005835 S=c1cc(sc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J06 compound treatment 0.386 -0.00678 -0.25 0.398 0.00678 0.44 0.1342 0.266 1398254 Enamine_005836 Fc1ccccc1Nc2ccc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J07 compound treatment 0.485 0.0922 3.39 0.465 0.0738 4.77 5.7707 0.9858 2063770 Enamine_005837 Oc1ccc2ccccc2c1/C=N/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J08 compound treatment 0.44 0.0472 1.73 0.435 0.0438 2.83 3.2294 0.9722 1693072 Enamine_005838 Cc1cc(NC(=O)c2cc3CCCCc3s2)no1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J09 compound treatment 0.401 0.00822 0.3 0.398 0.00678 0.44 0.5237 0.9833 1427426 Enamine_005839 CC(C1CC1)N(C(=O)c2ccc(N)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J10 compound treatment 0.388 -0.00478 -0.18 0.393 0.00178 0.12 -0.0426 -0.203 1333051 Enamine_005840 OC(COc1ccccc1O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J11 compound treatment 0.397 0.00422 0.15 0.4 0.00878 0.57 0.5114 0.8682 2063771 Enamine_005841 C=CC(=O)NCc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J12 compound treatment 0.389 -0.00378 -0.14 0.395 0.00378 0.24 0.0748 0.266 2063772 Enamine_005842 Cc1cc(c(C)n1c2ccccc2)C(O)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J13 compound treatment 0.391 -0.00178 -0.07 0.4 0.00878 0.57 0.3556 0.6216 2063773 Enamine_005843 C/C(=C\C(=O)O)/C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J14 compound treatment 0.391 -0.00178 -0.07 0.393 0.00178 0.12 0.0353 0.266 1500946 Enamine_005844 OC(=O)c1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J15 compound treatment 0.397 0.00422 0.15 0.394 0.00278 0.18 0.2368 0.9972 2063774 Enamine_005845 CC1(CCCC2(CCC1)C(=O)N)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J16 compound treatment 0.394 0.00122 0.04 0.396 0.00478 0.31 0.2504 0.8011 2063775 Enamine_005846 CC(=O)N=c1nc(c2ccccc2)n(s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J17 compound treatment 0.401 0.00822 0.3 0.398 0.00678 0.44 0.5237 0.9833 1245987 Enamine_005847 CC(O)(CCO)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J18 compound treatment 0.394 0.00122 0.04 0.394 0.00278 0.18 0.1589 0.8568 1330083 Enamine_005848 CNc1ccccc1C(C)(C)c2cc([nH]n2)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J19 compound treatment 0.41 0.0172 0.63 0.42 0.0288 1.86 1.7641 0.8969 1620663 Enamine_005849 Nc1ccccc1C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J20 compound treatment 0.405 0.0122 0.45 0.399 0.00778 0.5 0.6733 0.9983 2063776 Enamine_005850 Cc1ccc(cc1)c2ccc(O)c(C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J21 compound treatment 0.394 0.00122 0.04 0.394 0.00278 0.18 0.1589 0.8568 2063777 Enamine_005851 CC(=O)Nc1ccc(OCCCl)c(OCCCl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J22 compound treatment 0.392 -7.81E-4 -0.03 0.387 -0.00422 -0.27 -0.2133 -0.7771 2063778 Enamine_005852 CC/C(=C/c1ccccc1)/CN2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J23 mock treatment 0.391 -0.00178 -0.07 0.388 -0.00322 -0.21 -0.1935 -0.8865 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 J24 mock treatment 0.392 -7.81E-4 -0.03 0.391 -2.19E-4 -0.01 -0.0303 -0.947 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K01 compound treatment 0.4 0.00722 0.27 0.389 -0.00222 -0.14 0.0859 0.285 2063779 Enamine_005853 O=C(COc1ccc(C#N)cc1)N2CCN(C/C=C/c3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K02 compound treatment 0.405 0.0122 0.45 0.405 0.0138 0.89 0.9479 0.9495 1037738 Enamine_005854 C(Nc1ccccn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K03 compound treatment 0.405 0.0122 0.45 0.402 0.0108 0.7 0.8106 0.9772 2063780 Enamine_005855 CCOc1ccc(Oc2ccc(N)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K04 compound treatment 0.405 0.0122 0.45 0.401 0.00978 0.63 0.7648 0.9858 1674043 Enamine_005856 OCN(Cc1ccccc1)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K05 compound treatment 0.404 0.0112 0.41 0.407 0.0158 1.02 1.0134 0.9203 2063781 Enamine_005857 CCN(c1ccccc1)S(=O)(=O)c2ccc(Cl)nc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K06 compound treatment 0.402 0.00922 0.34 0.402 0.0108 0.7 0.7327 0.9449 2063782 Enamine_005858 COC(=O)c1ccc2nc(C)ccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K07 compound treatment 0.425 0.0322 1.18 0.422 0.0308 1.99 2.2451 0.9691 2063783 Enamine_005859 N#C/C=C(\Sc1nc2ccccc2o1)/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K08 compound treatment 0.406 0.0132 0.49 0.41 0.0188 1.22 1.2026 0.9189 1233390 Enamine_005860 CCc1ccc(NC(=O)c2ccccc2Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K09 compound treatment 0.399 0.00622 0.23 0.398 0.00678 0.44 0.4718 0.9537 2063784 Enamine_005861 Cc1ccccc1N/2C(=O)CS\C2=C(\C#N)/C(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K10 compound treatment 0.411 0.0182 0.67 0.411 0.0198 1.28 1.3782 0.9542 2063785 Enamine_005862 Cc1cccc(c1)C(=O)NC(C)(C)CC(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K11 compound treatment 0.485 0.0922 3.39 0.497 0.106 6.85 7.2349 0.9473 2063786 Enamine_005863 COc1ccc(/C=C/2\C(=O)N(C)c3ccccc23)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K12 compound treatment 0.395 0.00222 0.08 0.393 0.00178 0.12 0.1391 0.9856 2063787 Enamine_005864 FC(F)(F)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K13 compound treatment 0.399 0.00622 0.23 0.42 0.0288 1.86 1.4785 0.7879 2063788 Enamine_005865 Clc1ccc(nc1)N2C(=O)/C(=C\Nc3ccccc3Cl)/c4ccccc4C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K14 compound treatment 0.41 0.0172 0.63 0.406 0.0148 0.96 1.1235 0.9798 1413609 Enamine_005866 COc1ccc(CSc2cccc3cccnc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K15 compound treatment 0.399 0.00622 0.23 0.393 0.00178 0.12 0.243 0.9499 2063789 Enamine_005867 OCc1ccc(cc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K16 compound treatment 0.4 0.00722 0.27 0.403 0.0118 0.76 0.7265 0.9001 2063790 Enamine_005868 COC(=O)Nc1cccc(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K17 compound treatment 0.415 0.0222 0.82 0.416 0.0248 1.6 1.7109 0.9509 2063791 Enamine_005869 Cc1c(C=C2C(=O)c3ccccc3C2=O)cc(C#N)n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K18 compound treatment 0.415 0.0222 0.82 0.424 0.0328 2.12 2.0769 0.9138 1492848 Enamine_005870 Cc1cc(Cl)c(O)c(c1)n2nc3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K19 compound treatment 0.49 0.0972 3.57 0.497 0.106 6.85 7.3648 0.9539 2063792 Enamine_005871 CN1C(=O)/C(=C\c2ccc(cc2)C(=O)O)/c3cc(Br)ccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K20 compound treatment 0.407 0.0142 0.52 0.412 0.0208 1.34 1.3201 0.9151 1308640 Enamine_005872 CCc1nc2sc3CCCCc3c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K21 compound treatment 0.395 0.00222 0.08 0.393 0.00178 0.12 0.1391 0.9856 1037792 Enamine_005873 O=C(Nc1ccccc1)OC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K22 compound treatment 0.401 0.00822 0.3 0.397 0.00578 0.37 0.478 0.9943 1082216 Enamine_005874 CS(=O)(=O)c1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K23 mock treatment 0.393 2.19E-4 0.01 0.387 -0.00422 -0.27 -0.1874 -0.686 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 K24 mock treatment 0.391 -0.00178 -0.07 0.402 0.0108 0.7 0.4471 0.638 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L01 compound treatment 0.399 0.00622 0.23 0.405 0.0138 0.89 0.7921 0.8604 1043067 Enamine_005875 CSc1nc2ccccc2n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L02 compound treatment 0.401 0.00822 0.3 0.402 0.0108 0.7 0.7067 0.9297 2063793 Enamine_005876 CC(=C(C#N)n1cnc2ccccc12)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L03 compound treatment 0.421 0.0282 1.04 0.418 0.0268 1.73 1.9582 0.9698 1006593 Enamine_005877 CN(C)CCC(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L04 compound treatment 0.407 0.0142 0.52 0.406 0.0148 0.96 1.0456 0.9595 1441400 Enamine_005878 Cc1cccc(C(=O)c2ccccc2C(=O)O)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L05 compound treatment 0.411 0.0182 0.67 0.413 0.0218 1.41 1.4697 0.942 2063794 Enamine_005879 ClCCNC(=O)c1ccc2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L06 compound treatment 0.407 0.0142 0.52 0.404 0.0128 0.83 0.9541 0.9754 1251843 Enamine_005880 Clc1ccc(cc1Cl)C(=O)c2nccn2c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L07 compound treatment 0.427 0.0342 1.26 0.417 0.0258 1.67 2.0682 0.9902 1006214 Enamine_005881 Oc1ccccc1c2nc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L08 compound treatment 0.402 0.00922 0.34 0.396 0.00478 0.31 0.4582 0.999 1262319 Enamine_005882 Cn1ccnc1CC(O)(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L09 compound treatment 0.414 0.0212 0.78 0.415 0.0238 1.54 1.6392 0.9503 2063795 Enamine_005883 C[N+]1(C)CC(CO)OC(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L10 compound treatment 0.408 0.0152 0.56 0.4 0.00878 0.57 0.797 1.0 1571987 Enamine_005884 Oc1ccccc1Oc2cnn(c2c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L11 compound treatment 0.403 0.0102 0.38 0.404 0.0128 0.83 0.8502 0.9361 2063796 Enamine_005885 COC(=O)CNC(=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L12 compound treatment 0.421 0.0282 1.04 0.427 0.0358 2.32 2.37 0.9343 1496254 Enamine_005886 Cc1cc2ccccn2c1C(=O)NS(=O)(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L13 compound treatment 0.407 0.0142 0.52 0.411 0.0198 1.28 1.2744 0.9218 1175768 Enamine_005887 CC(=O)NC1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L14 compound treatment 0.443 0.0502 1.84 0.443 0.0518 3.35 3.6734 0.9604 2063797 Enamine_005888 Fc1ccc(CC(c2ccco2)S(=O)(=O)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L15 compound treatment 0.405 0.0122 0.45 0.404 0.0128 0.83 0.9021 0.9587 2063798 Enamine_005889 OC(=O)C1(CCCC2(CBr)CCC1)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L16 compound treatment 0.399 0.00622 0.23 0.404 0.0128 0.83 0.7463 0.8698 2063799 Enamine_005890 Cc1nc2ccccc2n1C(F)(F)C(O)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L17 compound treatment 0.41 0.0172 0.63 0.419 0.0278 1.8 1.7183 0.9017 1034380 Enamine_005891 NC(=O)C1CC2CC1C=C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L18 compound treatment 0.397 0.00422 0.15 0.389 -0.00222 -0.14 0.008 0.038 2063800 Enamine_005892 CCN(CC)c1nc(C)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L19 compound treatment 0.38 -0.0128 -0.47 0.384 -0.00722 -0.47 -0.6622 -1.0 1671745 Enamine_005893 Oc1ccc(cc1O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L20 compound treatment 0.4 0.00722 0.27 0.403 0.0118 0.76 0.7265 0.9001 1381056 Enamine_005894 CCN1CCN(CC1)C(=O)c2cn(nc2c3ccc(OC)cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L21 compound treatment 0.4 0.00722 0.27 0.4 0.00878 0.57 0.5893 0.9397 2063801 Enamine_005895 CNC(=O)/C(=C\c1ccc(Cl)cc1)/NC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L22 compound treatment 0.399 0.00622 0.23 0.396 0.00478 0.31 0.3803 0.9888 1422584 Enamine_005896 CN(C(=O)c1ccccc1)c2ccc(OCC(=O)O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L23 mock treatment 0.402 0.00922 0.34 0.404 0.0128 0.83 0.8242 0.9223 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 L24 mock treatment 0.396 0.00322 0.12 0.395 0.00378 0.24 0.2566 0.9443 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M01 compound treatment 0.396 0.00322 0.12 0.396 0.00478 0.31 0.3024 0.9129 2063802 Enamine_005897 Ic1cccc(NS(=O)(=O)c2cccs2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M02 compound treatment 0.404 0.0112 0.41 0.403 0.0118 0.76 0.8304 0.9583 2063803 Enamine_005898 CC(C1CC1)N(C(=O)/C=C/c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M03 compound treatment 0.401 0.00822 0.3 0.399 0.00778 0.5 0.5695 0.97 1041204 Enamine_005899 OC(=O)CSc1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M04 compound treatment 0.401 0.00822 0.3 0.401 0.00978 0.63 0.661 0.9426 1734757 Enamine_005900 COC(=O)C(=C1C2CC3CC(C2)CC1C3)C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M05 compound treatment 0.402 0.00922 0.34 0.403 0.0118 0.76 0.7785 0.9332 2063804 Enamine_005901 CCN(CC)S(=O)(=O)c1ccc(Cl)nc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M06 compound treatment 0.49 0.0972 3.57 0.496 0.105 6.78 7.319 0.9551 2063805 Enamine_005902 Clc1ccccc1C2=N/C(=C/c3ccco3)/C(=O)O2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M07 compound treatment 0.399 0.00622 0.23 0.395 0.00378 0.24 0.3345 0.9994 2063806 Enamine_005903 CC(O)CNc1nc2ccccc2n1CC(=O)Nc3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M08 compound treatment 0.414 0.0212 0.78 0.411 0.0198 1.28 1.4561 0.9717 1084072 Enamine_005904 Nc1ccc(Cc2ccncc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M09 compound treatment 0.413 0.0202 0.74 0.401 0.00978 0.63 0.9726 0.9968 2063807 Enamine_005905 Cc1cccc(c1)C(=O)NCC(=O)OCc2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M10 compound treatment 0.4 0.00722 0.27 0.398 0.00678 0.44 0.4977 0.9709 1634196 Enamine_005906 NC(CO)(CO)COCc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M11 compound treatment 0.406 0.0132 0.49 0.411 0.0198 1.28 1.2484 0.9119 2063808 Enamine_005907 O=C(COC(=O)/C=C/c1ccco1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M12 compound treatment 0.403 0.0102 0.38 0.398 0.00678 0.44 0.5756 0.997 2063809 Enamine_005908 Clc1ccc(OCCNC(=O)c2ccccc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M13 compound treatment 0.396 0.00322 0.12 0.404 0.0128 0.83 0.6684 0.8 2063810 Enamine_005909 [O-][n+]1ccc(cc1)C(=O)Nc2cc(ccc2N3CCCCC3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M14 compound treatment 0.398 0.00522 0.19 0.404 0.0128 0.83 0.7204 0.8485 1003093 Enamine_005910 CC(C)OC(=O)Nc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M15 compound treatment 0.402 0.00922 0.34 0.397 0.00578 0.37 0.5039 0.9988 2063811 Enamine_005911 ClCc1nc2cccc3cccc([nH]1)c32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M16 compound treatment 0.399 0.00622 0.23 0.4 0.00878 0.57 0.5633 0.9198 2063812 Enamine_005912 Cc1cc(C)nc(NC#N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M17 compound treatment 0.405 0.0122 0.45 0.402 0.0108 0.7 0.8106 0.9772 2063813 Enamine_005913 O=C(Cc1ccccc1)OCC(=O)N2CC(=O)Nc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M18 compound treatment 0.402 0.00922 0.34 0.41 0.0188 1.22 1.0988 0.8709 1022635 Enamine_005914 NS(=O)(=O)c1ccc2ccccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M19 compound treatment 0.408 0.0152 0.56 0.409 0.0178 1.15 1.2088 0.945 1584349 Enamine_005915 CC(=O)Nc1ccc(cc1)C(=O)CSc2nccn2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M20 compound treatment 0.399 0.00622 0.23 0.399 0.00778 0.5 0.5175 0.936 2063814 Enamine_005916 Cc1ccc(cc1)C(=O)N/C(=C/c2ccccc2F)/C(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M21 compound treatment 0.392 -7.81E-4 -0.03 0.394 0.00278 0.18 0.107 0.587 1109434 Enamine_005917 CCOC(=O)c1ccc(CN)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M22 compound treatment 0.441 0.0482 1.77 0.43 0.0388 2.51 3.0266 0.9854 2063815 Enamine_005918 CCCc1nnc(NC(=O)c2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M23 mock treatment 0.394 0.00122 0.04 0.39 -0.00122 -0.08 -0.0241 -0.266 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 M24 mock treatment 0.387 -0.00578 -0.21 0.389 -0.00222 -0.14 -0.2516 -0.9819 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N01 compound treatment 0.39 -0.00278 -0.1 0.396 0.00478 0.31 0.1466 0.4498 1176955 Enamine_005919 CC1(C)CC(CC(C)(C)N1)NC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N02 compound treatment 0.389 -0.00378 -0.14 0.397 0.00578 0.37 0.1664 0.4169 1372486 Enamine_005920 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N03 compound treatment 0.397 0.00422 0.15 0.397 0.00578 0.37 0.3741 0.9238 1058494 Enamine_005921 NC(=O)C(F)(F)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N04 compound treatment 0.392 -7.81E-4 -0.03 0.392 7.81E-4 0.05 0.0155 0.266 2063816 Enamine_005922 Cc1ccc(cc1)C(=O)NC(CC(=O)O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N05 compound treatment 0.386 -0.00678 -0.25 0.397 0.00578 0.37 0.0885 0.1968 1538128 Enamine_005923 CN(C)Cc1ccc2ccc3cccc4ccc1c2c34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N06 compound treatment 0.394 0.00122 0.04 0.395 0.00378 0.24 0.2047 0.8228 1676662 Enamine_005924 Clc1nc2sccn2c1C(=O)N3CCCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N07 compound treatment 0.393 2.19E-4 0.01 0.4 0.00878 0.57 0.4075 0.717 1244577 Enamine_005925 COC(=O)c1ccc(Nc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N08 compound treatment 0.405 0.0122 0.45 0.411 0.0198 1.28 1.2224 0.9012 1631248 Enamine_005926 CC1Cc2ccccc2N1C3=CC(=O)CCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N09 compound treatment 0.392 -7.81E-4 -0.03 0.393 0.00178 0.12 0.0612 0.5154 1304817 Enamine_005927 OC(=O)CC1CS(=O)(=O)C=C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N10 compound treatment 0.392 -7.81E-4 -0.03 0.399 0.00778 0.5 0.3358 0.6657 1179604 Enamine_005928 COc1ccccc1N2CCN(CC2)c3ccc4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N11 compound treatment 0.403 0.0102 0.38 0.395 0.00378 0.24 0.4384 0.9785 2063817 Enamine_005929 OC(=O)/C=C/c1ccc(cc1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N12 compound treatment 0.406 0.0132 0.49 0.422 0.0308 1.99 1.7517 0.8544 1393896 Enamine_005930 Clc1ccc2nsc(C(=O)Nc3ccncc3)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N13 compound treatment 0.404 0.0112 0.41 0.401 0.00978 0.63 0.7389 0.9784 2063818 Enamine_005931 CCC1(CC2CC3(Br)C1)CC(C2)(C3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N14 compound treatment 0.394 0.00122 0.04 0.397 0.00578 0.37 0.2962 0.7861 1430159 Enamine_005932 CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N15 compound treatment 0.393 2.19E-4 0.01 0.405 0.0138 0.89 0.6363 0.7134 1228408 Enamine_005933 NC(=O)CC1(CC2CC3C1)CC(C2)(C3)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N16 compound treatment 0.396 0.00322 0.12 0.401 0.00978 0.63 0.5312 0.8249 2063819 Enamine_005934 Cc1ccc(cc1)c2cn3CCCc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N17 compound treatment 0.343 -0.0498 -1.83 0.341 -0.0502 -3.25 -3.5906 -0.963 1015746 Enamine_005935 CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N18 compound treatment 0.394 0.00122 0.04 0.394 0.00278 0.18 0.1589 0.8568 2063820 Enamine_005936 Cc1nc2cc(ccc2[nH]1)C(=O)OCCC(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N19 compound treatment 0.394 0.00122 0.04 0.398 0.00678 0.44 0.3419 0.7752 1450931 Enamine_005937 OCC1CC2CC(O)CC(C1)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N20 compound treatment 0.402 0.00922 0.34 0.416 0.0248 1.6 1.3733 0.8379 1614951 Enamine_005938 COc1ccc(cc1)c2nn(cc2CCC(=O)O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N21 compound treatment 0.397 0.00422 0.15 0.393 0.00178 0.12 0.1911 0.9894 1670314 Enamine_005939 COC(=O)C1(CCCC2(CCC1)C(=O)O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N22 compound treatment 0.387 -0.00578 -0.21 0.385 -0.00622 -0.4 -0.4347 -0.9553 2063821 Enamine_005940 NC(=O)c1cc(SC(F)(F)F)cc(SC(F)(F)F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N23 mock treatment 0.395 0.00222 0.08 0.392 7.81E-4 0.05 0.0934 0.9737 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 N24 mock treatment 0.394 0.00122 0.04 0.389 -0.00222 -0.14 -0.0699 -0.4646 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O01 compound treatment 0.392 -7.81E-4 -0.03 0.388 -0.00322 -0.21 -0.1676 -0.797 2063822 Enamine_005941 Fc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O02 compound treatment 0.398 0.00522 0.19 0.394 0.00278 0.18 0.2628 0.9995 2063823 Enamine_005942 Cc1ccc(cc1N)S(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O03 compound treatment 0.411 0.0182 0.67 0.404 0.0128 0.83 1.0579 0.9945 2063824 Enamine_005943 Cc1ccc(cc1)c2csc3nc(CCl)[nH]c(=O)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O04 compound treatment 0.402 0.00922 0.34 0.401 0.00978 0.63 0.6869 0.957 1465584 Enamine_005944 OC(=O)CC1(CC2CC3C1)CC(C2)(C3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O05 compound treatment 0.399 0.00622 0.23 0.396 0.00478 0.31 0.3803 0.9888 2063825 Enamine_005945 Clc1ccc(cn1)S(=O)(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O06 compound treatment 0.402 0.00922 0.34 0.394 0.00278 0.18 0.3666 0.9563 2063826 Enamine_005946 CN(C)C(=O)/C(=C/C=C/c1ccccc1)/NC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O07 compound treatment 0.388 -0.00478 -0.18 0.395 0.00378 0.24 0.0489 0.1623 2063827 Enamine_005947 O=C(Cn1nnc(n1)c2ccccc2)N3CCCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O08 compound treatment 0.405 0.0122 0.45 0.395 0.00378 0.24 0.4903 0.9593 2063828 Enamine_005948 CC(=O)NCCOc1ccc(C)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O09 compound treatment 0.407 0.0142 0.52 0.408 0.0168 1.09 1.1371 0.9437 2063829 Enamine_005949 Clc1ccccc1/C=C/C(=O)OCC(=O)Nc2cccnc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O10 compound treatment 0.396 0.00322 0.12 0.403 0.0118 0.76 0.6227 0.8071 2063830 Enamine_005950 Fc1ccc(CSc2nc3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O11 compound treatment 0.402 0.00922 0.34 0.4 0.00878 0.57 0.6412 0.9694 2063831 Enamine_005951 Cc1cc(C)n(n1)c2ccc(cc2)C(=O)OCC(=O)Nc3c(Cl)cccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O12 compound treatment 0.397 0.00422 0.15 0.391 -2.19E-4 -0.01 0.0995 0.6398 1479157 Enamine_005952 O=C(CSc1nc2ccccc2[nH]1)NCCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O13 compound treatment 0.398 0.00522 0.19 0.407 0.0158 1.02 0.8576 0.8254 2063832 Enamine_005953 Cc1ccc(C)n1c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O14 compound treatment 0.412 0.0192 0.71 0.405 0.0138 0.89 1.1296 0.9933 1292811 Enamine_005954 CC(=O)Nc1sc2CCCc2c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O15 compound treatment 0.4 0.00722 0.27 0.397 0.00578 0.37 0.452 0.9858 2063833 Enamine_005955 CC(C)c1ccccc1OCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O16 compound treatment 0.392 -7.81E-4 -0.03 0.41 0.0188 1.22 0.8391 0.6902 1205834 Enamine_005956 O=C(COc1ccccc1)NS(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O17 compound treatment 0.395 0.00222 0.08 0.395 0.00378 0.24 0.2306 0.8943 2063834 Enamine_005957 CC(C)N(C(C)C)C(=O)COc1ccccc1NC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O18 compound treatment 0.401 0.00822 0.3 0.404 0.0128 0.83 0.7983 0.9067 2063835 Enamine_005958 CNc1nc(C)c(s1)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O19 compound treatment 0.393 2.19E-4 0.01 0.433 0.0418 2.7 1.9175 0.7092 2063836 Enamine_005959 O=S(=O)(NC1(CC2CC3CC(C2)C1)C3)/C=C/c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O20 compound treatment 0.39 -0.00278 -0.1 0.395 0.00378 0.24 0.1008 0.3802 2063837 Enamine_005960 CC(=O)Nc1cc(NC(=O)C)cc(c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O21 compound treatment 0.397 0.00422 0.15 0.388 -0.00322 -0.21 -0.0377 -0.1454 1069904 Enamine_005961 CC1(CC2CC3C1)CC(C2)(C3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O22 compound treatment 0.399 0.00622 0.23 0.398 0.00678 0.44 0.4718 0.9537 2063838 Enamine_005962 CC(=O)Nc1cc(ccc1NC(=O)C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O23 mock treatment 0.394 0.00122 0.04 0.387 -0.00422 -0.27 -0.1614 -0.5834 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 O24 mock treatment 0.393 2.19E-4 0.01 0.395 0.00378 0.24 0.1787 0.7299 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P01 compound treatment 0.404 0.0112 0.41 0.404 0.0128 0.83 0.8762 0.9482 2063839 Enamine_005963 O=C(/C=C/C(=O)c1ccc2ccccc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P02 compound treatment 0.393 2.19E-4 0.01 0.395 0.00378 0.24 0.1787 0.7299 2063840 Enamine_005964 C=C1C(C1C(=O)NCC2CCCO2)C(=O)NCC3CCCO3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P03 compound treatment 0.403 0.0102 0.38 0.406 0.0148 0.96 0.9417 0.9165 2063841 Enamine_005965 CO/C(=C\c1sc2ccccc2[n+]1C)/C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P04 compound treatment 0.39 -0.00278 -0.1 0.395 0.00378 0.24 0.1008 0.3802 1182424 Enamine_005966 COc1ccccc1CNc2ccccc2C(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P05 compound treatment 0.403 0.0102 0.38 0.398 0.00678 0.44 0.5756 0.997 1725276 Enamine_005967 CN(C)Cc1c2ccccc2cc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P06 compound treatment 0.397 0.00422 0.15 0.397 0.00578 0.37 0.3741 0.9238 1432245 Enamine_005968 CC(C)(CN1CCCCCC1)NS(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P07 compound treatment 0.414 0.0212 0.78 0.405 0.0138 0.89 1.1816 0.9977 1671402 Enamine_005969 O=C(NCc1ccccc1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P08 compound treatment 0.394 0.00122 0.04 0.394 0.00278 0.18 0.1589 0.8568 1378382 Enamine_005970 COc1ccc(OCC(O)CNC(C)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P09 compound treatment 0.405 0.0122 0.45 0.392 7.81E-4 0.05 0.353 0.7818 1323589 Enamine_005971 CC(C)NC(=O)c1ccccc1C(=O)NC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P10 compound treatment 0.36 -0.0328 -1.2 0.356 -0.0352 -2.28 -2.4628 -0.9555 1315186 Enamine_005972 Oc1ccccc1CN(C(=O)COc2ccccc2)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P11 compound treatment 0.394 0.00122 0.04 0.392 7.81E-4 0.05 0.0674 0.9982 1197733 Enamine_005973 COc1ccccc1C(=O)N(C(C)C2CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P12 compound treatment 0.399 0.00622 0.23 0.397 0.00578 0.37 0.426 0.972 1601541 Enamine_005974 CNc1ccccc1C(C)(C)c2ccnn2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P13 compound treatment 0.402 0.00922 0.34 0.396 0.00478 0.31 0.4582 0.999 2063842 Enamine_005975 C/C(=N/O)/CC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P14 compound treatment 0.385 -0.00778 -0.29 0.385 -0.00622 -0.4 -0.4866 -0.9859 2063843 Enamine_005976 Cc1nn(CCC#N)c2[nH]c(=O)cc(c12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P15 compound treatment 0.446 0.0532 1.95 0.468 0.0768 4.97 4.8953 0.9169 2063844 Enamine_005977 OC(=O)C/N=C/c1ccccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P16 compound treatment 0.394 0.00122 0.04 0.396 0.00478 0.31 0.2504 0.8011 1702737 Enamine_005978 NC(=O)CC1(CCN(Cc2ccccc2)CC1)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P17 compound treatment 0.404 0.0112 0.41 0.398 0.00678 0.44 0.6016 0.9995 1112050 Enamine_005979 CC(=O)Nc1cccnc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P18 compound treatment 0.426 0.0332 1.22 0.433 0.0418 2.7 2.7744 0.9353 1352021 Enamine_005980 Cc1cc(c(C)n1C2CCCC2)c3cc(N)n(n3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P19 compound treatment 0.402 0.00922 0.34 0.403 0.0118 0.76 0.7785 0.9332 1053084 Enamine_005981 ClCc1ccccc1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P20 compound treatment 0.395 0.00222 0.08 0.397 0.00578 0.37 0.3222 0.8414 1263979 Enamine_005982 OCc1cn(CCC#N)nc1c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P21 compound treatment 0.401 0.00822 0.3 0.402 0.0108 0.7 0.7067 0.9297 1235478 Enamine_005983 CC(C)C1(CCCC2(CCC1)C(=O)O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P22 compound treatment 0.382 -0.0108 -0.4 0.38 -0.0112 -0.73 -0.7933 -0.9593 2063845 Enamine_005984 COc1ccc(/N=C\c2cn(nc2c3cccs3)c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P23 mock treatment 0.395 0.00222 0.08 0.395 0.00378 0.24 0.2306 0.8943 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1410 P24 mock treatment 0.398 0.00522 0.19 0.382 -0.00922 -0.6 -0.2863 -0.457 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A01 compound treatment 0.356 -0.0399 -1.47 0.377 -0.0202 -1.3 -1.9589 -0.9983 2063846 Enamine_005985 Cc1ccc(cc1)C(=O)N2C(=O)/C(=C\3/CCCCCN3)/c4ccccc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A02 mock treatment 0.393 -0.00292 -0.11 0.393 -0.00415 -0.27 -0.266 -0.9189 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A03 compound treatment 0.348 -0.0479 -1.76 0.342 -0.0552 -3.57 -3.7681 -0.9469 2063847 Enamine_005986 Oc1c(Br)cc(NS(=O)(=O)c2ccc(Cl)cc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A04 mock treatment 0.396 7.69E-5 0.0 0.394 -0.00315 -0.2 -0.1423 -0.6973 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A05 compound treatment 0.394 -0.00192 -0.07 0.394 -0.00315 -0.2 -0.1942 -0.8995 2063848 Enamine_005987 O=C(N1CCOCC1)c2cn(nc2c3cccnc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A06 mock treatment 0.386 -0.00992 -0.36 0.389 -0.00815 -0.53 -0.6308 -0.9837 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A07 mock treatment 0.387 -0.00892 -0.33 0.385 -0.0122 -0.79 -0.7878 -0.9247 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A08 mock treatment 0.391 -0.00492 -0.18 0.393 -0.00415 -0.27 -0.3179 -0.9814 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A09 mock treatment 0.381 -0.0149 -0.55 0.394 -0.00315 -0.2 -0.5318 -0.9094 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A10 mock treatment 0.388 -0.00792 -0.29 0.392 -0.00515 -0.33 -0.4416 -0.9977 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A11 mock treatment 0.387 -0.00892 -0.33 0.394 -0.00315 -0.2 -0.376 -0.974 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A12 mock treatment 0.401 0.00508 0.19 0.399 0.00185 0.12 0.2163 0.9769 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A13 mock treatment 0.395 -9.23E-4 -0.03 0.39 -0.00715 -0.46 -0.3513 -0.7569 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A14 mock treatment 0.388 -0.00792 -0.29 0.386 -0.0112 -0.72 -0.7161 -0.9202 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A15 mock treatment 0.385 -0.0109 -0.4 0.386 -0.0112 -0.72 -0.794 -0.9616 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A16 mock treatment 0.386 -0.00992 -0.36 0.393 -0.00415 -0.27 -0.4477 -0.9888 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A17 mock treatment 0.387 -0.00892 -0.33 0.386 -0.0112 -0.72 -0.7421 -0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A18 mock treatment 0.384 -0.0119 -0.44 0.394 -0.00315 -0.2 -0.4539 -0.9396 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A19 mock treatment 0.388 -0.00792 -0.29 0.387 -0.0102 -0.66 -0.6704 -0.9329 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A20 mock treatment 0.39 -0.00592 -0.22 0.385 -0.0122 -0.79 -0.7099 -0.87 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A21 mock treatment 0.38 -0.0159 -0.58 0.384 -0.0132 -0.85 -1.0154 -0.9832 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A22 mock treatment 0.387 -0.00892 -0.33 0.387 -0.0102 -0.66 -0.6963 -0.9484 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A23 mock treatment 0.389 -0.00692 -0.25 0.384 -0.0132 -0.85 -0.7817 -0.8799 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 A24 mock treatment 0.376 -0.0199 -0.73 0.369 -0.0282 -1.82 -1.8056 -0.9197 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B01 mock treatment 0.4 0.00408 0.15 0.396 -0.00115 -0.07 0.0531 0.3172 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B02 mock treatment 0.401 0.00508 0.19 0.397 -1.54E-4 -0.01 0.1248 0.6684 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B03 mock treatment 0.408 0.0121 0.44 0.401 0.00385 0.25 0.4896 0.9627 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B04 mock treatment 0.405 0.00908 0.33 0.398 8.46E-4 0.05 0.2744 0.8124 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B05 mock treatment 0.409 0.0131 0.48 0.403 0.00585 0.38 0.6071 0.993 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B06 mock treatment 0.398 0.00208 0.08 0.395 -0.00215 -0.14 -0.0446 -0.2809 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B07 mock treatment 0.404 0.00808 0.3 0.398 8.46E-4 0.05 0.2484 0.8237 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B08 mock treatment 0.409 0.0131 0.48 0.399 0.00185 0.12 0.424 0.8569 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B09 mock treatment 0.407 0.0111 0.41 0.406 0.00885 0.57 0.6924 0.986 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B10 mock treatment 0.4 0.00408 0.15 0.402 0.00485 0.31 0.3276 0.9428 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B11 mock treatment 0.4 0.00408 0.15 0.406 0.00885 0.57 0.5106 0.863 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B12 mock treatment 0.399 0.00308 0.11 0.4 0.00285 0.18 0.2101 0.9725 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B13 mock treatment 0.416 0.0201 0.74 0.406 0.00885 0.57 0.9261 0.9922 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B14 mock treatment 0.401 0.00508 0.19 0.404 0.00685 0.44 0.4451 0.926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B15 mock treatment 0.4 0.00408 0.15 0.412 0.0148 0.96 0.7852 0.8076 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B16 mock treatment 0.408 0.0121 0.44 0.404 0.00685 0.44 0.6269 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B17 mock treatment 0.408 0.0121 0.44 0.413 0.0158 1.03 1.0387 0.9297 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B18 mock treatment 0.4 0.00408 0.15 0.397 -1.54E-4 -0.01 0.0988 0.6586 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B19 mock treatment 0.399 0.00308 0.11 0.407 0.00985 0.64 0.5304 0.8197 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B20 mock treatment 0.401 0.00508 0.19 0.396 -0.00115 -0.07 0.079 0.3935 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B21 mock treatment 0.402 0.00608 0.22 0.4 0.00285 0.18 0.288 0.9955 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B22 mock treatment 0.395 -9.23E-4 -0.03 0.393 -0.00415 -0.27 -0.214 -0.79 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B23 mock treatment 0.4 0.00408 0.15 0.399 0.00185 0.12 0.1903 0.9937 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 B24 mock treatment 0.39 -0.00592 -0.22 0.389 -0.00815 -0.53 -0.5269 -0.9232 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C01 compound treatment 0.372 -0.0239 -0.88 0.375 -0.0222 -1.43 -1.6349 -0.9724 2063849 Enamine_005988 O=C/1Nc2ccccc2N\C1=C/c3ccc4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C02 mock treatment 0.382 -0.0139 -0.51 0.378 -0.0192 -1.24 -1.238 -0.9233 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C03 compound treatment 0.381 -0.0149 -0.55 0.383 -0.0142 -0.92 -1.0352 -0.9698 1211993 Enamine_005989 CCCc1cc(=O)oc2cc(OCC=C(C)C)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C04 mock treatment 0.384 -0.0119 -0.44 0.377 -0.0202 -1.3 -1.2318 -0.8954 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C05 compound treatment 0.382 -0.0139 -0.51 0.375 -0.0222 -1.43 -1.3753 -0.9035 2063850 Enamine_005990 CCN(CC)C(=O)c1ccc2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C06 mock treatment 0.381 -0.0149 -0.55 0.379 -0.0182 -1.17 -1.2182 -0.9397 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C07 mock treatment 0.38 -0.0159 -0.58 0.377 -0.0202 -1.3 -1.3357 -0.9345 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C08 mock treatment 0.389 -0.00692 -0.25 0.387 -0.0102 -0.66 -0.6444 -0.9146 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C09 mock treatment 0.382 -0.0139 -0.51 0.378 -0.0192 -1.24 -1.238 -0.9233 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C10 mock treatment 0.381 -0.0149 -0.55 0.38 -0.0172 -1.11 -1.1724 -0.9471 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C11 mock treatment 0.376 -0.0199 -0.73 0.374 -0.0232 -1.5 -1.5768 -0.9457 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C12 mock treatment 0.382 -0.0139 -0.51 0.382 -0.0152 -0.98 -1.0549 -0.9539 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C13 mock treatment 0.38 -0.0159 -0.58 0.377 -0.0202 -1.3 -1.3357 -0.9345 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C14 mock treatment 0.379 -0.0169 -0.62 0.382 -0.0152 -0.98 -1.1328 -0.9758 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C15 mock treatment 0.374 -0.0219 -0.81 0.377 -0.0202 -1.3 -1.4915 -0.9731 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C16 mock treatment 0.385 -0.0109 -0.4 0.387 -0.0102 -0.66 -0.7483 -0.972 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C17 mock treatment 0.385 -0.0109 -0.4 0.387 -0.0102 -0.66 -0.7483 -0.972 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C18 mock treatment 0.384 -0.0119 -0.44 0.385 -0.0122 -0.79 -0.8657 -0.9618 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C19 mock treatment 0.378 -0.0179 -0.66 0.382 -0.0152 -0.98 -1.1588 -0.9812 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C20 mock treatment 0.376 -0.0199 -0.73 0.379 -0.0182 -1.17 -1.348 -0.974 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C21 mock treatment 0.376 -0.0199 -0.73 0.376 -0.0212 -1.37 -1.4853 -0.9569 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C22 mock treatment 0.379 -0.0169 -0.62 0.376 -0.0212 -1.37 -1.4074 -0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C23 mock treatment 0.373 -0.0229 -0.84 0.373 -0.0242 -1.56 -1.7005 -0.9578 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 C24 mock treatment 0.376 -0.0199 -0.73 0.375 -0.0222 -1.43 -1.531 -0.9513 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D01 mock treatment 0.395 -9.23E-4 -0.03 0.394 -0.00315 -0.2 -0.1683 -0.8134 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D02 mock treatment 0.39 -0.00592 -0.22 0.393 -0.00415 -0.27 -0.3439 -0.9945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D03 mock treatment 0.401 0.00508 0.19 0.397 -1.54E-4 -0.01 0.1248 0.6684 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D04 mock treatment 0.392 -0.00392 -0.14 0.402 0.00485 0.31 0.1199 0.3474 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D05 mock treatment 0.393 -0.00292 -0.11 0.395 -0.00215 -0.14 -0.1745 -0.9917 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D06 mock treatment 0.392 -0.00392 -0.14 0.391 -0.00615 -0.4 -0.3835 -0.9055 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D07 mock treatment 0.399 0.00308 0.11 0.398 8.46E-4 0.05 0.1186 0.9447 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D08 mock treatment 0.398 0.00208 0.08 0.399 0.00185 0.12 0.1384 0.9765 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D09 mock treatment 0.397 0.00108 0.04 0.393 -0.00415 -0.27 -0.1621 -0.5967 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D10 mock treatment 0.392 -0.00392 -0.14 0.391 -0.00615 -0.4 -0.3835 -0.9055 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D11 mock treatment 0.399 0.00308 0.11 0.395 -0.00215 -0.14 -0.0187 -0.104 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D12 mock treatment 0.391 -0.00492 -0.18 0.393 -0.00415 -0.27 -0.3179 -0.9814 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D13 mock treatment 0.405 0.00908 0.33 0.395 -0.00215 -0.14 0.1371 0.3796 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D14 mock treatment 0.388 -0.00792 -0.29 0.398 8.46E-4 0.05 -0.167 -0.5641 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D15 mock treatment 0.389 -0.00692 -0.25 0.395 -0.00215 -0.14 -0.2783 -0.96 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D16 mock treatment 0.397 0.00108 0.04 0.4 0.00285 0.18 0.1582 0.8398 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D17 mock treatment 0.403 0.00708 0.26 0.407 0.00985 0.64 0.6343 0.9218 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D18 mock treatment 0.396 7.69E-5 0.0 0.401 0.00385 0.25 0.178 0.7151 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D19 mock treatment 0.395 -9.23E-4 -0.03 0.397 -1.54E-4 -0.01 -0.031 -0.8777 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D20 mock treatment 0.392 -0.00392 -0.14 0.389 -0.00815 -0.53 -0.475 -0.8684 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D21 mock treatment 0.392 -0.00392 -0.14 0.397 -1.54E-4 -0.01 -0.1089 -0.7542 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D22 mock treatment 0.392 -0.00392 -0.14 0.39 -0.00715 -0.46 -0.4292 -0.8853 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D23 mock treatment 0.391 -0.00492 -0.18 0.395 -0.00215 -0.14 -0.2264 -0.9917 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 D24 mock treatment 0.389 -0.00692 -0.25 0.39 -0.00715 -0.46 -0.5071 -0.9602 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E01 compound treatment 0.401 0.00508 0.19 0.388 -0.00915 -0.59 -0.287 -0.4622 1637307 Enamine_005991 NCc1csc(n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E02 mock treatment 0.399 0.00308 0.11 0.398 8.46E-4 0.05 0.1186 0.9447 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E03 compound treatment 0.409 0.0131 0.48 0.405 0.00785 0.51 0.6986 0.9996 1474972 Enamine_005992 COc1ccc(cc1)C(N2CCCC2)c3ccc4cccnc4c3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E04 mock treatment 0.4 0.00408 0.15 0.391 -0.00615 -0.4 -0.1757 -0.413 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E05 compound treatment 0.397 0.00108 0.04 0.398 8.46E-4 0.05 0.0667 0.9872 2063851 Enamine_005993 CC1=NOC(O)(C1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E06 mock treatment 0.4 0.00408 0.15 0.398 8.46E-4 0.05 0.1446 0.907 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E07 mock treatment 0.401 0.00508 0.19 0.396 -0.00115 -0.07 0.079 0.3935 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E08 mock treatment 0.414 0.0181 0.66 0.403 0.00585 0.38 0.7369 0.9645 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E09 mock treatment 0.403 0.00708 0.26 0.405 0.00785 0.51 0.5428 0.9516 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E10 mock treatment 0.404 0.00808 0.3 0.404 0.00685 0.44 0.523 0.981 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E11 mock treatment 0.391 -0.00492 -0.18 0.398 8.46E-4 0.05 -0.0891 -0.4718 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E12 mock treatment 0.408 0.0121 0.44 0.397 -1.54E-4 -0.01 0.3066 0.6911 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E13 mock treatment 0.402 0.00608 0.22 0.395 -0.00215 -0.14 0.0592 0.2252 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E14 mock treatment 0.392 -0.00392 -0.14 0.398 8.46E-4 0.05 -0.0631 -0.4097 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E15 mock treatment 0.403 0.00708 0.26 0.396 -0.00115 -0.07 0.131 0.4843 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E16 mock treatment 0.399 0.00308 0.11 0.405 0.00785 0.51 0.4389 0.8438 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E17 mock treatment 0.401 0.00508 0.19 0.408 0.0108 0.7 0.6281 0.8649 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E18 mock treatment 0.403 0.00708 0.26 0.41 0.0128 0.83 0.7716 0.8859 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E19 mock treatment 0.394 -0.00192 -0.07 0.4 0.00285 0.18 0.0803 0.4071 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E20 mock treatment 0.399 0.00308 0.11 0.397 -1.54E-4 -0.01 0.0729 0.6423 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E21 mock treatment 0.396 7.69E-5 0.0 0.398 8.46E-4 0.05 0.0407 0.7426 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E22 mock treatment 0.398 0.00208 0.08 0.394 -0.00315 -0.2 -0.0904 -0.4148 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E23 mock treatment 0.394 -0.00192 -0.07 0.397 -1.54E-4 -0.01 -0.057 -0.7989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 E24 mock treatment 0.394 -0.00192 -0.07 0.393 -0.00415 -0.27 -0.24 -0.8636 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F01 mock treatment 0.396 7.69E-5 0.0 0.399 0.00185 0.12 0.0865 0.7236 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F02 mock treatment 0.403 0.00708 0.26 0.4 0.00285 0.18 0.314 0.9858 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F03 mock treatment 0.406 0.0101 0.37 0.409 0.0118 0.77 0.8037 0.9442 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F04 mock treatment 0.401 0.00508 0.19 0.405 0.00785 0.51 0.4909 0.9075 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F05 mock treatment 0.409 0.0131 0.48 0.401 0.00385 0.25 0.5156 0.9532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F06 mock treatment 0.405 0.00908 0.33 0.405 0.00785 0.51 0.5947 0.9792 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F07 mock treatment 0.413 0.0171 0.63 0.403 0.00585 0.38 0.7109 0.9707 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F08 mock treatment 0.41 0.0141 0.52 0.406 0.00885 0.57 0.7703 0.9987 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F09 mock treatment 0.399 0.00308 0.11 0.409 0.0118 0.77 0.622 0.8027 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F10 mock treatment 0.41 0.0141 0.52 0.404 0.00685 0.44 0.6788 0.997 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F11 mock treatment 0.4 0.00408 0.15 0.402 0.00485 0.31 0.3276 0.9428 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F12 mock treatment 0.405 0.00908 0.33 0.405 0.00785 0.51 0.5947 0.9792 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F13 mock treatment 0.413 0.0171 0.63 0.409 0.0118 0.77 0.9855 0.995 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F14 mock treatment 0.403 0.00708 0.26 0.408 0.0108 0.7 0.6801 0.9086 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F15 mock treatment 0.403 0.00708 0.26 0.409 0.0118 0.77 0.7258 0.8967 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F16 mock treatment 0.407 0.0111 0.41 0.411 0.0138 0.9 0.9212 0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F17 mock treatment 0.411 0.0151 0.55 0.417 0.0198 1.28 1.2996 0.9293 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F18 mock treatment 0.403 0.00708 0.26 0.414 0.0168 1.09 0.9546 0.8518 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F19 mock treatment 0.41 0.0141 0.52 0.409 0.0118 0.77 0.9076 0.9816 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F20 mock treatment 0.404 0.00808 0.3 0.402 0.00485 0.31 0.4315 0.9996 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F21 mock treatment 0.402 0.00608 0.22 0.406 0.00885 0.57 0.5626 0.9156 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F22 mock treatment 0.401 0.00508 0.19 0.402 0.00485 0.31 0.3536 0.9692 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F23 mock treatment 0.403 0.00708 0.26 0.398 8.46E-4 0.05 0.2225 0.8377 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 F24 mock treatment 0.395 -9.23E-4 -0.03 0.404 0.00685 0.44 0.2893 0.6511 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G01 compound treatment 0.395 -9.23E-4 -0.03 0.385 -0.0122 -0.79 -0.5801 -0.7369 1100947 Enamine_005994 OC(=O)c1c(Cl)nc2sccn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G02 mock treatment 0.398 0.00208 0.08 0.397 -1.54E-4 -0.01 0.0469 0.6096 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G03 compound treatment 0.424 0.0281 1.03 0.422 0.0248 1.61 1.866 0.9769 2063852 Enamine_005995 Fc1ccc(cc1)c2nn(cc2/C=C/C(=O)NCc3cccnc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G04 mock treatment 0.403 0.00708 0.26 0.393 -0.00415 -0.27 -0.0063 -0.0169 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G05 compound treatment 0.389 -0.00692 -0.25 0.392 -0.00515 -0.33 -0.4156 -0.991 2063853 Enamine_005996 Oc1cccc(CC(F)(F)F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G06 mock treatment 0.397 0.00108 0.04 0.397 -1.54E-4 -0.01 0.0209 0.5131 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G07 mock treatment 0.396 7.69E-5 0.0 0.397 -1.54E-4 -0.01 -0.005 -0.4872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G08 mock treatment 0.409 0.0131 0.48 0.399 0.00185 0.12 0.424 0.8569 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G09 mock treatment 0.396 7.69E-5 0.0 0.395 -0.00215 -0.14 -0.0966 -0.6926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G10 mock treatment 0.397 0.00108 0.04 0.398 8.46E-4 0.05 0.0667 0.9872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G11 mock treatment 0.39 -0.00592 -0.22 0.389 -0.00815 -0.53 -0.5269 -0.9232 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G12 mock treatment 0.401 0.00508 0.19 0.413 0.0158 1.03 0.8569 0.8222 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G13 mock treatment 0.399 0.00308 0.11 0.398 8.46E-4 0.05 0.1186 0.9447 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G14 mock treatment 0.397 0.00108 0.04 0.398 8.46E-4 0.05 0.0667 0.9872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G15 mock treatment 0.392 -0.00392 -0.14 0.395 -0.00215 -0.14 -0.2004 -0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G16 mock treatment 0.395 -9.23E-4 -0.03 0.396 -0.00115 -0.07 -0.0768 -0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G17 mock treatment 0.409 0.0131 0.48 0.404 0.00685 0.44 0.6528 0.9992 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G18 mock treatment 0.402 0.00608 0.22 0.4 0.00285 0.18 0.288 0.9955 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G19 mock treatment 0.394 -0.00192 -0.07 0.4 0.00285 0.18 0.0803 0.4071 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G20 mock treatment 0.392 -0.00392 -0.14 0.396 -0.00115 -0.07 -0.1547 -0.9532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G21 mock treatment 0.392 -0.00392 -0.14 0.39 -0.00715 -0.46 -0.4292 -0.8853 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G22 mock treatment 0.39 -0.00592 -0.22 0.393 -0.00415 -0.27 -0.3439 -0.9945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G23 mock treatment 0.392 -0.00392 -0.14 0.396 -0.00115 -0.07 -0.1547 -0.9532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 G24 mock treatment 0.392 -0.00392 -0.14 0.39 -0.00715 -0.46 -0.4292 -0.8853 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H01 mock treatment 0.395 -9.23E-4 -0.03 0.395 -0.00215 -0.14 -0.1225 -0.8542 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H02 mock treatment 0.394 -0.00192 -0.07 0.397 -1.54E-4 -0.01 -0.057 -0.7989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H03 mock treatment 0.396 7.69E-5 0.0 0.395 -0.00215 -0.14 -0.0966 -0.6926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H04 mock treatment 0.395 -9.23E-4 -0.03 0.398 8.46E-4 0.05 0.0147 0.229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H05 mock treatment 0.397 0.00108 0.04 0.398 8.46E-4 0.05 0.0667 0.9872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H06 mock treatment 0.392 -0.00392 -0.14 0.396 -0.00115 -0.07 -0.1547 -0.9532 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H07 mock treatment 0.398 0.00208 0.08 0.405 0.00785 0.51 0.413 0.8043 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H08 mock treatment 0.395 -9.23E-4 -0.03 0.395 -0.00215 -0.14 -0.1225 -0.8542 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H09 mock treatment 0.398 0.00208 0.08 0.398 8.46E-4 0.05 0.0926 0.9868 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H10 mock treatment 0.391 -0.00492 -0.18 0.4 0.00285 0.18 0.0024 0.0093 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H11 mock treatment 0.394 -0.00192 -0.07 0.398 8.46E-4 0.05 -0.0112 -0.1255 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H12 mock treatment 0.391 -0.00492 -0.18 0.395 -0.00215 -0.14 -0.2264 -0.9917 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H13 mock treatment 0.403 0.00708 0.26 0.396 -0.00115 -0.07 0.131 0.4843 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H14 mock treatment 0.397 0.00108 0.04 0.398 8.46E-4 0.05 0.0667 0.9872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H15 mock treatment 0.396 7.69E-5 0.0 0.401 0.00385 0.25 0.178 0.7151 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H16 mock treatment 0.395 -9.23E-4 -0.03 0.398 8.46E-4 0.05 0.0147 0.229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H17 mock treatment 0.406 0.0101 0.37 0.406 0.00885 0.57 0.6664 0.9777 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H18 mock treatment 0.391 -0.00492 -0.18 0.397 -1.54E-4 -0.01 -0.1349 -0.7449 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H19 mock treatment 0.398 0.00208 0.08 0.399 0.00185 0.12 0.1384 0.9765 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H20 mock treatment 0.393 -0.00292 -0.11 0.394 -0.00315 -0.2 -0.2202 -0.955 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H21 mock treatment 0.394 -0.00192 -0.07 0.395 -0.00215 -0.14 -0.1485 -0.9504 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H22 mock treatment 0.396 7.69E-5 0.0 0.394 -0.00315 -0.2 -0.1423 -0.6973 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H23 mock treatment 0.392 -0.00392 -0.14 0.4 0.00285 0.18 0.0284 0.1213 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 H24 mock treatment 0.398 0.00208 0.08 0.39 -0.00715 -0.46 -0.2734 -0.5828 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I01 compound treatment 0.406 0.0101 0.37 0.4 0.00285 0.18 0.3919 0.9481 1315476 Enamine_005997 Cc1cc(C)n(n1)c2nnc3c4ccccc4[nH]c3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I02 mock treatment 0.401 0.00508 0.19 0.41 0.0128 0.83 0.7196 0.8447 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I03 compound treatment 0.406 0.0101 0.37 0.401 0.00385 0.25 0.4377 0.9814 1275724 Enamine_005998 CC(NC(=O)CSC1=NCCS1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I04 mock treatment 0.399 0.00308 0.11 0.402 0.00485 0.31 0.3016 0.9049 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I05 mock treatment 0.402 0.00608 0.22 0.406 0.00885 0.57 0.5626 0.9156 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I06 mock treatment 0.402 0.00608 0.22 0.409 0.0118 0.77 0.6999 0.8766 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I07 mock treatment 0.4 0.00408 0.15 0.402 0.00485 0.31 0.3276 0.9428 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I08 mock treatment 0.408 0.0121 0.44 0.404 0.00685 0.44 0.6269 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I09 mock treatment 0.409 0.0131 0.48 0.403 0.00585 0.38 0.6071 0.993 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I10 mock treatment 0.406 0.0101 0.37 0.403 0.00585 0.38 0.5292 0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I11 mock treatment 0.401 0.00508 0.19 0.404 0.00685 0.44 0.4451 0.926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I12 mock treatment 0.408 0.0121 0.44 0.41 0.0128 0.83 0.9014 0.9567 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I13 mock treatment 0.403 0.00708 0.26 0.41 0.0128 0.83 0.7716 0.8859 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I14 mock treatment 0.402 0.00608 0.22 0.404 0.00685 0.44 0.4711 0.9496 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I15 mock treatment 0.392 -0.00392 -0.14 0.403 0.00585 0.38 0.1656 0.4092 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I16 mock treatment 0.4 0.00408 0.15 0.405 0.00785 0.51 0.4649 0.8782 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I17 mock treatment 0.411 0.0151 0.55 0.405 0.00785 0.51 0.7505 0.9991 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I18 mock treatment 0.409 0.0131 0.48 0.408 0.0108 0.7 0.8359 0.9829 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I19 mock treatment 0.395 -9.23E-4 -0.03 0.401 0.00385 0.25 0.152 0.6052 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I20 mock treatment 0.403 0.00708 0.26 0.404 0.00685 0.44 0.497 0.9677 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I21 mock treatment 0.401 0.00508 0.19 0.396 -0.00115 -0.07 0.079 0.3935 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I22 mock treatment 0.408 0.0121 0.44 0.409 0.0118 0.77 0.8557 0.9662 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I23 mock treatment 0.402 0.00608 0.22 0.398 8.46E-4 0.05 0.1965 0.8552 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 I24 mock treatment 0.4 0.00408 0.15 0.393 -0.00415 -0.27 -0.0842 -0.2737 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J01 mock treatment 0.391 -0.00492 -0.18 0.393 -0.00415 -0.27 -0.3179 -0.9814 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J02 mock treatment 0.388 -0.00792 -0.29 0.395 -0.00215 -0.14 -0.3043 -0.9432 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J03 mock treatment 0.395 -9.23E-4 -0.03 0.389 -0.00815 -0.53 -0.3971 -0.751 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J04 mock treatment 0.394 -0.00192 -0.07 0.394 -0.00315 -0.2 -0.1942 -0.8995 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J05 mock treatment 0.396 7.69E-5 0.0 0.396 -0.00115 -0.07 -0.0508 -0.6799 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J06 mock treatment 0.391 -0.00492 -0.18 0.402 0.00485 0.31 0.0939 0.2594 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J07 mock treatment 0.396 7.69E-5 0.0 0.395 -0.00215 -0.14 -0.0966 -0.6926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J08 mock treatment 0.393 -0.00292 -0.11 0.394 -0.00315 -0.2 -0.2202 -0.955 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J09 mock treatment 0.397 0.00108 0.04 0.394 -0.00315 -0.2 -0.1164 -0.5597 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J10 mock treatment 0.39 -0.00592 -0.22 0.396 -0.00115 -0.07 -0.2066 -0.8984 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J11 mock treatment 0.395 -9.23E-4 -0.03 0.396 -0.00115 -0.07 -0.0768 -0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J12 mock treatment 0.389 -0.00692 -0.25 0.395 -0.00215 -0.14 -0.2783 -0.96 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J13 mock treatment 0.385 -0.0109 -0.4 0.399 0.00185 0.12 -0.1992 -0.4758 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J14 mock treatment 0.387 -0.00892 -0.33 0.393 -0.00415 -0.27 -0.4218 -0.9952 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J15 mock treatment 0.395 -9.23E-4 -0.03 0.392 -0.00515 -0.33 -0.2598 -0.775 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J16 mock treatment 0.387 -0.00892 -0.33 0.396 -0.00115 -0.07 -0.2845 -0.8465 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J17 mock treatment 0.404 0.00808 0.3 0.395 -0.00215 -0.14 0.1112 0.3392 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J18 mock treatment 0.394 -0.00192 -0.07 0.392 -0.00515 -0.33 -0.2858 -0.8382 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J19 mock treatment 0.397 0.00108 0.04 0.399 0.00185 0.12 0.1124 0.8935 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J20 mock treatment 0.396 7.69E-5 0.0 0.395 -0.00215 -0.14 -0.0966 -0.6926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J21 mock treatment 0.39 -0.00592 -0.22 0.393 -0.00415 -0.27 -0.3439 -0.9945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J22 mock treatment 0.392 -0.00392 -0.14 0.387 -0.0102 -0.66 -0.5665 -0.8421 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J23 mock treatment 0.395 -9.23E-4 -0.03 0.39 -0.00715 -0.46 -0.3513 -0.7569 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 J24 mock treatment 0.391 -0.00492 -0.18 0.389 -0.00815 -0.53 -0.5009 -0.8981 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K01 compound treatment 0.403 0.00708 0.26 0.389 -0.00815 -0.53 -0.1893 -0.3219 1633615 Enamine_005999 Cc1nn(c2ccccc2)c3nc4CCCC(=O)c4cc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K02 mock treatment 0.404 0.00808 0.3 0.407 0.00985 0.64 0.6603 0.9395 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K03 compound treatment 0.404 0.00808 0.3 0.4 0.00285 0.18 0.34 0.9737 1308240 Enamine_006000 C1CCC(CC1)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K04 mock treatment 0.4 0.00408 0.15 0.403 0.00585 0.38 0.3734 0.9177 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K05 mock treatment 0.399 0.00308 0.11 0.402 0.00485 0.31 0.3016 0.9049 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K06 mock treatment 0.398 0.00208 0.08 0.401 0.00385 0.25 0.2299 0.8832 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K07 mock treatment 0.389 -0.00692 -0.25 0.403 0.00585 0.38 0.0877 0.1925 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K08 mock treatment 0.405 0.00908 0.33 0.405 0.00785 0.51 0.5947 0.9792 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K09 mock treatment 0.395 -9.23E-4 -0.03 0.398 8.46E-4 0.05 0.0147 0.229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K10 mock treatment 0.406 0.0101 0.37 0.405 0.00785 0.51 0.6207 0.9879 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K11 mock treatment 0.397 0.00108 0.04 0.397 -1.54E-4 -0.01 0.0209 0.5131 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K12 mock treatment 0.401 0.00508 0.19 0.404 0.00685 0.44 0.4451 0.926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K13 mock treatment 0.387 -0.00892 -0.33 0.405 0.00785 0.51 0.1273 0.2107 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K14 mock treatment 0.402 0.00608 0.22 0.404 0.00685 0.44 0.4711 0.9496 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K15 mock treatment 0.394 -0.00192 -0.07 0.398 8.46E-4 0.05 -0.0112 -0.1255 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K16 mock treatment 0.402 0.00608 0.22 0.41 0.0128 0.83 0.7456 0.8663 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K17 mock treatment 0.395 -9.23E-4 -0.03 0.399 0.00185 0.12 0.0605 0.4872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K18 mock treatment 0.401 0.00508 0.19 0.415 0.0178 1.15 0.9484 0.8108 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K19 mock treatment 0.393 -0.00292 -0.11 0.391 -0.00615 -0.4 -0.3575 -0.8668 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K20 mock treatment 0.396 7.69E-5 0.0 0.4 0.00285 0.18 0.1322 0.7179 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K21 mock treatment 0.394 -0.00192 -0.07 0.39 -0.00715 -0.46 -0.3773 -0.8057 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K22 mock treatment 0.401 0.00508 0.19 0.401 0.00385 0.25 0.3078 0.9899 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K23 mock treatment 0.392 -0.00392 -0.14 0.388 -0.00915 -0.59 -0.5207 -0.8542 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 K24 mock treatment 0.39 -0.00592 -0.22 0.396 -0.00115 -0.07 -0.2066 -0.8984 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L01 mock treatment 0.407 0.0111 0.41 0.411 0.0138 0.9 0.9212 0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L02 mock treatment 0.399 0.00308 0.11 0.402 0.00485 0.31 0.3016 0.9049 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L03 mock treatment 0.401 0.00508 0.19 0.405 0.00785 0.51 0.4909 0.9075 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L04 mock treatment 0.4 0.00408 0.15 0.397 -1.54E-4 -0.01 0.0988 0.6586 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L05 mock treatment 0.402 0.00608 0.22 0.413 0.0158 1.03 0.8829 0.8413 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L06 mock treatment 0.397 0.00108 0.04 0.403 0.00585 0.38 0.2955 0.7768 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L07 mock treatment 0.4 0.00408 0.15 0.403 0.00585 0.38 0.3734 0.9177 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L08 mock treatment 0.399 0.00308 0.11 0.395 -0.00215 -0.14 -0.0187 -0.104 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L09 mock treatment 0.408 0.0121 0.44 0.404 0.00685 0.44 0.6269 1.0 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L10 mock treatment 0.394 -0.00192 -0.07 0.397 -1.54E-4 -0.01 -0.057 -0.7989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L11 mock treatment 0.401 0.00508 0.19 0.405 0.00785 0.51 0.4909 0.9075 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L12 mock treatment 0.399 0.00308 0.11 0.401 0.00385 0.25 0.2559 0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L13 mock treatment 0.403 0.00708 0.26 0.405 0.00785 0.51 0.5428 0.9516 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L14 mock treatment 0.391 -0.00492 -0.18 0.403 0.00585 0.38 0.1397 0.3331 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L15 mock treatment 0.403 0.00708 0.26 0.4 0.00285 0.18 0.314 0.9858 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L16 mock treatment 0.4 0.00408 0.15 0.408 0.0108 0.7 0.6022 0.8391 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L17 mock treatment 0.407 0.0111 0.41 0.416 0.0188 1.22 1.15 0.8945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L18 mock treatment 0.398 0.00208 0.08 0.398 8.46E-4 0.05 0.0926 0.9868 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L19 mock treatment 0.407 0.0111 0.41 0.405 0.00785 0.51 0.6467 0.994 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L20 mock treatment 0.401 0.00508 0.19 0.402 0.00485 0.31 0.3536 0.9692 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L21 mock treatment 0.394 -0.00192 -0.07 0.401 0.00385 0.25 0.1261 0.4872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L22 mock treatment 0.4 0.00408 0.15 0.396 -0.00115 -0.07 0.0531 0.3172 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L23 mock treatment 0.4 0.00408 0.15 0.409 0.0118 0.77 0.6479 0.8295 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 L24 mock treatment 0.392 -0.00392 -0.14 0.398 8.46E-4 0.05 -0.0631 -0.4097 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M01 compound treatment 0.389 -0.00692 -0.25 0.393 -0.00415 -0.27 -0.3698 -0.9996 1237736 Enamine_006001 COc1ccc(cc1C)c2csc(NC(=O)C)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M02 mock treatment 0.398 0.00208 0.08 0.397 -1.54E-4 -0.01 0.0469 0.6096 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M03 compound treatment 0.397 0.00108 0.04 0.398 8.46E-4 0.05 0.0667 0.9872 2063854 Enamine_006002 FC(F)(F)C(Cl)(N=C=O)c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M04 mock treatment 0.403 0.00708 0.26 0.4 0.00285 0.18 0.314 0.9858 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M05 mock treatment 0.404 0.00808 0.3 0.404 0.00685 0.44 0.523 0.981 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M06 mock treatment 0.403 0.00708 0.26 0.405 0.00785 0.51 0.5428 0.9516 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M07 mock treatment 0.395 -9.23E-4 -0.03 0.392 -0.00515 -0.33 -0.2598 -0.775 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M08 mock treatment 0.402 0.00608 0.22 0.409 0.0118 0.77 0.6999 0.8766 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M09 mock treatment 0.398 0.00208 0.08 0.4 0.00285 0.18 0.1842 0.9238 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M10 mock treatment 0.397 0.00108 0.04 0.396 -0.00115 -0.07 -0.0248 -0.2939 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M11 mock treatment 0.397 0.00108 0.04 0.395 -0.00215 -0.14 -0.0706 -0.4872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M12 mock treatment 0.399 0.00308 0.11 0.397 -1.54E-4 -0.01 0.0729 0.6423 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M13 mock treatment 0.392 -0.00392 -0.14 0.403 0.00585 0.38 0.1656 0.4092 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M14 mock treatment 0.397 0.00108 0.04 0.4 0.00285 0.18 0.1582 0.8398 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M15 mock treatment 0.396 7.69E-5 0.0 0.394 -0.00315 -0.2 -0.1423 -0.6973 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M16 mock treatment 0.397 0.00108 0.04 0.406 0.00885 0.57 0.4327 0.7542 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M17 mock treatment 0.397 0.00108 0.04 0.401 0.00385 0.25 0.204 0.8093 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M18 mock treatment 0.401 0.00508 0.19 0.404 0.00685 0.44 0.4451 0.926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M19 mock treatment 0.401 0.00508 0.19 0.394 -0.00315 -0.2 -0.0125 -0.0452 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M20 mock treatment 0.395 -9.23E-4 -0.03 0.398 8.46E-4 0.05 0.0147 0.229 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M21 mock treatment 0.392 -0.00392 -0.14 0.393 -0.00415 -0.27 -0.2919 -0.9573 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M22 mock treatment 0.394 -0.00192 -0.07 0.398 8.46E-4 0.05 -0.0112 -0.1255 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M23 mock treatment 0.394 -0.00192 -0.07 0.391 -0.00615 -0.4 -0.3315 -0.8197 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 M24 mock treatment 0.388 -0.00792 -0.29 0.39 -0.00715 -0.46 -0.5331 -0.975 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N01 mock treatment 0.392 -0.00392 -0.14 0.401 0.00385 0.25 0.0741 0.2578 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N02 mock treatment 0.388 -0.00792 -0.29 0.39 -0.00715 -0.46 -0.5331 -0.975 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N03 mock treatment 0.398 0.00208 0.08 0.398 8.46E-4 0.05 0.0926 0.9868 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N04 mock treatment 0.39 -0.00592 -0.22 0.389 -0.00815 -0.53 -0.5269 -0.9232 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N05 mock treatment 0.392 -0.00392 -0.14 0.405 0.00785 0.51 0.2572 0.4872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N06 mock treatment 0.392 -0.00392 -0.14 0.398 8.46E-4 0.05 -0.0631 -0.4097 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N07 mock treatment 0.392 -0.00392 -0.14 0.398 8.46E-4 0.05 -0.0631 -0.4097 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N08 mock treatment 0.384 -0.0119 -0.44 0.394 -0.00315 -0.2 -0.4539 -0.9396 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N09 mock treatment 0.391 -0.00492 -0.18 0.395 -0.00215 -0.14 -0.2264 -0.9917 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N10 mock treatment 0.396 7.69E-5 0.0 0.396 -0.00115 -0.07 -0.0508 -0.6799 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N11 mock treatment 0.396 7.69E-5 0.0 0.394 -0.00315 -0.2 -0.1423 -0.6973 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N12 mock treatment 0.393 -0.00292 -0.11 0.396 -0.00115 -0.07 -0.1287 -0.9843 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N13 mock treatment 0.398 0.00208 0.08 0.406 0.00885 0.57 0.4587 0.7943 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N14 mock treatment 0.392 -0.00392 -0.14 0.391 -0.00615 -0.4 -0.3835 -0.9055 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N15 mock treatment 0.394 -0.00192 -0.07 0.403 0.00585 0.38 0.2176 0.5653 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N16 mock treatment 0.393 -0.00292 -0.11 0.4 0.00285 0.18 0.0543 0.2549 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N17 mock treatment 0.4 0.00408 0.15 0.401 0.00385 0.25 0.2819 0.9704 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N18 mock treatment 0.396 7.69E-5 0.0 0.397 -1.54E-4 -0.01 -0.005 -0.4872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N19 mock treatment 0.394 -0.00192 -0.07 0.396 -0.00115 -0.07 -0.1027 -0.9996 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N20 mock treatment 0.389 -0.00692 -0.25 0.398 8.46E-4 0.05 -0.141 -0.5424 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N21 mock treatment 0.395 -9.23E-4 -0.03 0.397 -1.54E-4 -0.01 -0.031 -0.8777 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N22 mock treatment 0.39 -0.00592 -0.22 0.394 -0.00315 -0.2 -0.2981 -0.9995 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N23 mock treatment 0.395 -9.23E-4 -0.03 0.396 -0.00115 -0.07 -0.0768 -0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 N24 mock treatment 0.388 -0.00792 -0.29 0.391 -0.00615 -0.4 -0.4873 -0.9881 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O01 compound treatment 0.393 -0.00292 -0.11 0.388 -0.00915 -0.59 -0.4948 -0.8219 1612990 Enamine_006003 O=C(COC(=O)Cc1ccsc1)NC(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O02 mock treatment 0.4 0.00408 0.15 0.404 0.00685 0.44 0.4191 0.8963 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O03 compound treatment 0.394 -0.00192 -0.07 0.395 -0.00215 -0.14 -0.1485 -0.9504 1532575 Enamine_006004 CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc3CCCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O04 mock treatment 0.399 0.00308 0.11 0.399 0.00185 0.12 0.1644 0.9996 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O05 mock treatment 0.393 -0.00292 -0.11 0.399 0.00185 0.12 0.0086 0.0534 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O06 mock treatment 0.398 0.00208 0.08 0.403 0.00585 0.38 0.3214 0.8329 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O07 mock treatment 0.389 -0.00692 -0.25 0.397 -1.54E-4 -0.01 -0.1868 -0.7342 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O08 mock treatment 0.401 0.00508 0.19 0.398 8.46E-4 0.05 0.1705 0.8777 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O09 mock treatment 0.393 -0.00292 -0.11 0.394 -0.00315 -0.2 -0.2202 -0.955 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O10 mock treatment 0.397 0.00108 0.04 0.397 -1.54E-4 -0.01 0.0209 0.5131 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O11 mock treatment 0.393 -0.00292 -0.11 0.384 -0.0132 -0.85 -0.6778 -0.79 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O12 mock treatment 0.395 -9.23E-4 -0.03 0.392 -0.00515 -0.33 -0.2598 -0.775 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O13 mock treatment 0.383 -0.0129 -0.47 0.406 0.00885 0.57 0.0692 0.0931 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O14 mock treatment 0.396 7.69E-5 0.0 0.393 -0.00415 -0.27 -0.1881 -0.6996 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O15 mock treatment 0.396 7.69E-5 0.0 0.387 -0.0102 -0.66 -0.4626 -0.7041 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O16 mock treatment 0.393 -0.00292 -0.11 0.406 0.00885 0.57 0.3289 0.5647 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O17 mock treatment 0.393 -0.00292 -0.11 0.393 -0.00415 -0.27 -0.266 -0.9189 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O18 mock treatment 0.395 -9.23E-4 -0.03 0.396 -0.00115 -0.07 -0.0768 -0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O19 mock treatment 0.384 -0.0119 -0.44 0.383 -0.0142 -0.92 -0.9573 -0.9429 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O20 mock treatment 0.394 -0.00192 -0.07 0.387 -0.0102 -0.66 -0.5146 -0.7786 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O21 mock treatment 0.396 7.69E-5 0.0 0.389 -0.00815 -0.53 -0.3711 -0.7033 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O22 mock treatment 0.398 0.00208 0.08 0.397 -1.54E-4 -0.01 0.0469 0.6096 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O23 mock treatment 0.394 -0.00192 -0.07 0.387 -0.0102 -0.66 -0.5146 -0.7786 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 O24 mock treatment 0.387 -0.00892 -0.33 0.391 -0.00615 -0.4 -0.5133 -0.9953 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P01 mock treatment 0.391 -0.00492 -0.18 0.39 -0.00715 -0.46 -0.4552 -0.9159 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P02 mock treatment 0.394 -0.00192 -0.07 0.392 -0.00515 -0.33 -0.2858 -0.8382 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P03 mock treatment 0.392 -0.00392 -0.14 0.406 0.00885 0.57 0.3029 0.5132 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P04 mock treatment 0.391 -0.00492 -0.18 0.396 -0.00115 -0.07 -0.1806 -0.9235 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P05 mock treatment 0.404 0.00808 0.3 0.401 0.00385 0.25 0.3857 0.9962 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P06 mock treatment 0.393 -0.00292 -0.11 0.398 8.46E-4 0.05 -0.0372 -0.3086 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P07 mock treatment 0.395 -9.23E-4 -0.03 0.399 0.00185 0.12 0.0605 0.4872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P08 mock treatment 0.393 -0.00292 -0.11 0.394 -0.00315 -0.2 -0.2202 -0.955 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P09 mock treatment 0.401 0.00508 0.19 0.395 -0.00215 -0.14 0.0333 0.1429 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P10 mock treatment 0.395 -9.23E-4 -0.03 0.393 -0.00415 -0.27 -0.214 -0.79 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P11 mock treatment 0.396 7.69E-5 0.0 0.394 -0.00315 -0.2 -0.1423 -0.6973 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P12 mock treatment 0.386 -0.00992 -0.36 0.392 -0.00515 -0.33 -0.4935 -0.999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P13 mock treatment 0.391 -0.00492 -0.18 0.399 0.00185 0.12 -0.0434 -0.2001 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P14 mock treatment 0.394 -0.00192 -0.07 0.395 -0.00215 -0.14 -0.1485 -0.9504 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P15 mock treatment 0.398 0.00208 0.08 0.401 0.00385 0.25 0.2299 0.8832 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P16 mock treatment 0.391 -0.00492 -0.18 0.391 -0.00615 -0.4 -0.4094 -0.9362 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P17 mock treatment 0.403 0.00708 0.26 0.399 0.00185 0.12 0.2682 0.9378 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P18 mock treatment 0.386 -0.00992 -0.36 0.396 -0.00115 -0.07 -0.3105 -0.8347 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P19 mock treatment 0.396 7.69E-5 0.0 0.398 8.46E-4 0.05 0.0407 0.7426 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P20 mock treatment 0.391 -0.00492 -0.18 0.397 -1.54E-4 -0.01 -0.1349 -0.7449 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P21 mock treatment 0.396 7.69E-5 0.0 0.401 0.00385 0.25 0.178 0.7151 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P22 mock treatment 0.39 -0.00592 -0.22 0.391 -0.00615 -0.4 -0.4354 -0.9595 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P23 mock treatment 0.397 0.00108 0.04 0.397 -1.54E-4 -0.01 0.0209 0.5131 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1411 P24 mock treatment 0.393 -0.00292 -0.11 0.391 -0.00615 -0.4 -0.3575 -0.8668 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A01 compound treatment 0.362 -0.0303 -1.11 0.351 -0.0171 -1.11 -1.5699 -1.0 2065880 IFLab1_000001 CCC(=O)Nc1nc(cs1)c2ccc(C)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A02 compound treatment 0.38 -0.0123 -0.45 0.345 -0.0231 -1.5 -1.3771 -0.8811 2065881 IFLab1_000002 Cc1ccc(NC(=O)/C=C/c2ccc(o2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A03 compound treatment 0.39 -0.00228 -0.08 0.357 -0.0111 -0.72 -0.5683 -0.7841 1391894 IFLab1_000003 O=C(Nc1ccccc1)c2ccc(cc2)S(=O)(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A04 compound treatment 0.394 0.00172 0.06 0.366 -0.00212 -0.14 -0.0526 -0.3477 2065882 IFLab1_000004 OC(CCl)c1ccc(cc1)n2cncn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A05 compound treatment 0.383 -0.00928 -0.34 0.376 0.00788 0.51 0.1193 0.1947 1605892 IFLab1_000005 COc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A06 compound treatment 0.388 -0.00428 -0.16 0.376 0.00788 0.51 0.2492 0.4672 1488846 IFLab1_000006 Clc1ccc2nc(NC(=O)c3ccco3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A07 compound treatment 0.4 0.00772 0.28 0.358 -0.0101 -0.66 -0.2629 -0.3682 1471155 IFLab1_000007 CCOc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A08 compound treatment 0.392 -2.81E-4 -0.01 0.369 8.75E-4 0.06 0.0327 0.5687 1253831 IFLab1_000008 COc1ccc2nc(NC(=O)c3ccco3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A09 compound treatment 0.384 -0.00828 -0.3 0.37 0.00188 0.12 -0.1292 -0.3947 2065883 IFLab1_000009 CCOc1ccc(cc1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A10 compound treatment 0.391 -0.00128 -0.05 0.382 0.0139 0.9 0.6016 0.6691 1330417 IFLab1_000010 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A11 compound treatment 0.401 0.00872 0.32 0.365 -0.00312 -0.2 0.0834 0.2202 1508840 IFLab1_000011 Clc1ccccc1C(=O)N=c2[nH]c3ccc4ccccc4c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A12 compound treatment 0.4 0.00772 0.28 0.393 0.0249 1.61 1.3387 0.819 1134756 IFLab1_000012 COc1ccc(cc1)c2csc(NC(=O)c3ccc(C#N)cc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A13 compound treatment 0.395 0.00272 0.1 0.363 -0.00512 -0.33 -0.1639 -0.4733 1921843 IFLab1_000013 Cc1cc(Sc2nnnn2c3ccccc3)nc4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A14 compound treatment 0.396 0.00372 0.14 0.368 -1.25E-4 -0.01 0.0908 0.6641 1444027 IFLab1_000014 O=C(Nc1ccccc1)c2nc[nH]c2C(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A15 compound treatment 0.378 -0.0143 -0.52 0.353 -0.0151 -0.98 -1.0629 -0.9572 1615284 IFLab1_000015 CN1N=Nc2ccc(Br)cc2C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A16 compound treatment 0.4 0.00772 0.28 0.377 0.00888 0.57 0.6065 0.947 2065884 IFLab1_000016 O/C(=N/Cc1ccccc1)/NC2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A17 compound treatment 0.39 -0.00228 -0.08 0.353 -0.0151 -0.98 -0.7513 -0.7648 1258148 IFLab1_000017 CC(=O)NCC(=O)Nc1ccc(Br)cc1C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A18 compound treatment 0.379 -0.0133 -0.49 0.36 -0.00812 -0.53 -0.7167 -0.9993 1392876 IFLab1_000018 COc1ccc(cc1)C(=O)CSc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A19 compound treatment 0.384 -0.00828 -0.3 0.363 -0.00512 -0.33 -0.4495 -0.9991 1379853 IFLab1_000019 CCOc1ccc(cc1)C(=O)Nc2nnc(s2)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A20 compound treatment 0.39 -0.00228 -0.08 0.356 -0.0121 -0.78 -0.6141 -0.7782 1616408 IFLab1_000020 CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A21 compound treatment 0.381 -0.0113 -0.41 0.363 -0.00512 -0.33 -0.5274 -0.9939 2065885 IFLab1_000021 Cc1ccc2[nH]c(=NC(=O)/C=C/c3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A22 compound treatment 0.391 -0.00128 -0.05 0.361 -0.00712 -0.46 -0.3593 -0.7752 1428497 IFLab1_000022 Cc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A23 mock treatment 0.387 -0.00528 -0.19 0.357 -0.0111 -0.72 -0.6462 -0.8667 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 A24 mock treatment 0.37 -0.0223 -0.82 0.352 -0.0161 -1.04 -1.3164 -0.9928 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B01 compound treatment 0.398 0.00572 0.21 0.375 0.00688 0.44 0.4631 0.9413 2065886 IFLab1_000023 O=C(NCSc1ccncn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B02 compound treatment 0.402 0.00972 0.36 0.37 0.00188 0.12 0.3382 0.8971 1463606 IFLab1_000024 C1COc2cc(ccc2O1)c3cc4ccccn4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B03 compound treatment 0.411 0.0187 0.69 0.375 0.00688 0.44 0.8006 0.9778 2065887 IFLab1_000025 BrC(=C(NC(=O)c1ccccc1)C#N)Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B04 compound treatment 0.406 0.0137 0.5 0.371 0.00288 0.19 0.4878 0.9083 2065888 IFLab1_000026 Cc1n[nH]c(C)c1Sc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B05 compound treatment 0.41 0.0177 0.65 0.369 8.75E-4 0.06 0.5001 0.7657 1583892 IFLab1_000027 Cc1nc(c(o1)N2CCOCC2)S(=O)(=O)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B06 compound treatment 0.396 0.00372 0.14 0.386 0.0179 1.16 0.9145 0.7851 1435296 IFLab1_000028 COc1ccc(COCC(O)CN2CCCCC2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B07 compound treatment 0.402 0.00972 0.36 0.372 0.00388 0.25 0.4297 0.9851 2065889 IFLab1_000029 Brc1ccc(cc1)C(=O)CN2C(=N)Cc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B08 compound treatment 0.445 0.0527 1.94 0.414 0.0459 2.97 3.4681 0.9785 2065890 IFLab1_000030 COC(=O)c1ccccc1NC(=O)/C=C/c2ccc(o2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B09 compound treatment 0.411 0.0187 0.69 0.386 0.0179 1.16 1.304 0.9691 1352752 IFLab1_000031 Clc1ccccc1C(=O)OCCN2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B10 compound treatment 0.404 0.0117 0.43 0.385 0.0169 1.09 1.0765 0.9171 1300150 IFLab1_000032 CCOC(=O)c1csc(NC(=O)C(C)(C)C)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B11 compound treatment 0.41 0.0177 0.65 0.379 0.0109 0.7 0.9577 0.9992 1376524 IFLab1_000033 O=C(CC1(CC2CC3CC(C2)C1)C3)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B12 compound treatment 0.399 0.00672 0.25 0.376 0.00788 0.51 0.5348 0.9446 1069951 IFLab1_000034 CC(=O)NS(=O)(=O)c1ccc(C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B13 compound treatment 0.411 0.0187 0.69 0.377 0.00888 0.57 0.8922 0.996 1002571 IFLab1_000035 Oc1ccc(Nc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B14 compound treatment 0.401 0.00872 0.32 0.37 0.00188 0.12 0.3122 0.9118 2065891 IFLab1_000036 Brc1ccc(/N=C\2/CCCCCN2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B15 compound treatment 0.404 0.0117 0.43 0.373 0.00488 0.32 0.5274 0.9883 1314233 IFLab1_000037 O=C(CC1Sc2ccccc2NC1=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B16 compound treatment 0.413 0.0207 0.76 0.386 0.0179 1.16 1.3559 0.9793 2065892 IFLab1_000038 O/C(=N/C1CCCCC1)/NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B17 compound treatment 0.412 0.0197 0.72 0.389 0.0209 1.35 1.4672 0.9573 1571502 IFLab1_000039 OCCC1(CC2CC3C1)CC(CCO)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B18 compound treatment 0.408 0.0157 0.58 0.395 0.0269 1.74 1.6379 0.8939 1954 IFLab1_000040 Cc1ccc(cc1)S(=O)(=O)/C=C/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B19 compound treatment 0.409 0.0167 0.61 0.391 0.0229 1.48 1.4808 0.9241 2065893 IFLab1_000041 CN(C)C(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B20 compound treatment 0.4 0.00772 0.28 0.372 0.00388 0.25 0.3777 0.9981 2065894 IFLab1_000042 Clc1ccc(/C=C(/NC(=O)c2ccccc2)\C(=O)N3CCOCC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B21 compound treatment 0.403 0.0107 0.39 0.375 0.00688 0.44 0.5929 0.9981 1589343 IFLab1_000043 COc1ccc2nc(NC(=O)c3cccnc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B22 compound treatment 0.394 0.00172 0.06 0.366 -0.00212 -0.14 -0.0526 -0.3477 2065895 IFLab1_000044 O=C(NCC1CCCO1)/C(=C\C=C/c2ccccc2)/NC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B23 mock treatment 0.403 0.0107 0.39 0.362 -0.00612 -0.4 -0.0019 -0.0035 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 B24 mock treatment 0.394 0.00172 0.06 0.359 -0.00912 -0.59 -0.3729 -0.6279 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C01 compound treatment 0.363 -0.0293 -1.08 0.349 -0.0191 -1.24 -1.6355 -0.9975 2065896 IFLab1_000045 CC1CCc2nc(NC(=O)C)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C02 compound treatment 0.387 -0.00528 -0.19 0.348 -0.0201 -1.3 -1.058 -0.8035 1466153 IFLab1_000046 CC(C)(C)NC(=O)c1ccc2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C03 compound treatment 0.383 -0.00928 -0.34 0.35 -0.0181 -1.17 -1.0704 -0.8763 1442113 IFLab1_000047 CCOC(=O)COc1c(Br)cc(Br)c2cccnc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C04 compound treatment 0.375 -0.0173 -0.63 0.342 -0.0261 -1.69 -1.6442 -0.9105 1148405 IFLab1_000048 COc1cc(OC)cc(c1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C05 compound treatment 0.381 -0.0113 -0.41 0.35 -0.0181 -1.17 -1.1223 -0.9022 1479838 IFLab1_000049 COc1ccccc1NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C06 compound treatment 0.422 0.0297 1.09 0.414 0.0459 2.97 2.8708 0.9077 2065897 IFLab1_000050 CCC(=O)Nc1nc2ccc(Cl)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C07 compound treatment 0.379 -0.0133 -0.49 0.351 -0.0171 -1.11 -1.1285 -0.932 1265435 IFLab1_000051 CCC(=O)Nc1ccc(cc1OC)c2ccc(NC(=O)CC)c(OC)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C08 compound treatment 0.415 0.0227 0.83 0.377 0.00888 0.57 0.996 0.9834 1654530 IFLab1_000052 COc1cccc2sc(NC(=O)c3ccc(Br)cc3)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C09 compound treatment 0.392 -2.81E-4 -0.01 0.359 -0.00912 -0.59 -0.4248 -0.7194 1553650 IFLab1_000053 CCOc1ccc(cc1)C(=O)Nc2nc3c(OC)cccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C10 compound treatment 0.38 -0.0123 -0.45 0.35 -0.0181 -1.17 -1.1483 -0.9138 1915458 IFLab1_000054 OC(=O)/C=C/c1cccc(NC(=O)c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C11 compound treatment 0.484 0.0917 3.37 0.459 0.0909 5.88 6.5399 0.965 1515224 IFLab1_000055 COc1ccc(cc1)C(=O)N=c2[nH]c3ccc4ccccc4c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C12 compound treatment 0.391 -0.00128 -0.05 0.366 -0.00212 -0.14 -0.1305 -0.8979 1313540 IFLab1_000056 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2sc3CCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C13 compound treatment 0.432 0.0397 1.46 0.39 0.0219 1.42 2.0323 0.9999 1280845 IFLab1_000057 Brc1ccc(o1)C(=O)Oc2ccc(cc2)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C14 compound treatment 0.407 0.0147 0.54 0.369 8.75E-4 0.06 0.4222 0.7769 1296776 IFLab1_000058 COc1ccc(cc1)c2[nH]c(=N)sc2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C15 compound treatment 0.377 -0.0153 -0.56 0.359 -0.00912 -0.59 -0.8143 -0.9997 1510463 IFLab1_000059 CCOC(=O)N1CC(=O)Nc2ccc(Br)cc2C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C16 compound treatment 0.383 -0.00928 -0.34 0.354 -0.0141 -0.91 -0.8873 -0.9096 2065898 IFLab1_000060 Clc1ccc(cc1Cl)c2cn3CCCc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C17 compound treatment 0.423 0.0307 1.13 0.39 0.0219 1.42 1.7986 0.9937 2065899 IFLab1_000061 Oc1ccccc1/C=N/c2ccc(Br)cc2C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C18 compound treatment 0.389 -0.00328 -0.12 0.363 -0.00512 -0.33 -0.3197 -0.9061 1053847 IFLab1_000062 O=C1CSC(N1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C19 compound treatment 0.403 0.0107 0.39 0.374 0.00588 0.38 0.5472 0.9998 1466812 IFLab1_000063 CC(C)c1nnc(NC(=O)c2ccc(cc2)c3ccccc3)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C20 compound treatment 0.432 0.0397 1.46 0.399 0.0309 2.0 2.4441 0.988 1354815 IFLab1_000064 CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2)nc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C21 compound treatment 0.377 -0.0153 -0.56 0.354 -0.0141 -0.91 -1.0431 -0.9726 2065900 IFLab1_000065 Cc1ccc2[nH]c(=NC(=O)C(C)(C)C)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C22 compound treatment 0.38 -0.0123 -0.45 0.345 -0.0231 -1.5 -1.3771 -0.8811 1437324 IFLab1_000066 CCC(=O)N1CC(=O)Nc2ccc(Br)cc2C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C23 mock treatment 0.379 -0.0133 -0.49 0.356 -0.0121 -0.78 -0.8997 -0.9738 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 C24 mock treatment 0.378 -0.0143 -0.52 0.355 -0.0131 -0.85 -0.9714 -0.9732 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D01 compound treatment 0.407 0.0147 0.54 0.391 0.0229 1.48 1.4289 0.9067 1916257 IFLab1_000067 O=C(NCSc1ccnc(SCNC(=O)c2ccccc2)n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D02 compound treatment 0.393 7.19E-4 0.03 0.372 0.00388 0.25 0.196 0.7772 2065901 IFLab1_000068 C/C(=N\O)/C(=O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D03 compound treatment 0.436 0.0437 1.61 0.415 0.0469 3.03 3.2801 0.9557 1254249 IFLab1_000069 N#Cc1nc(CNc2ccccc2)oc1Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D04 compound treatment 0.393 7.19E-4 0.03 0.375 0.00688 0.44 0.3333 0.7477 1221113 IFLab1_000070 CC(C)c1ccc(C)cc1OCC(O)CN2CCN(C)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D05 compound treatment 0.393 7.19E-4 0.03 0.37 0.00188 0.12 0.1045 0.8413 1130793 IFLab1_000071 CCOP(=O)(c1nc(oc1NC)c2ccc(Cl)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D06 compound treatment 0.39 -0.00228 -0.08 0.381 0.0129 0.83 0.5299 0.6328 2065902 IFLab1_000072 CC1CN(CC(O)COCCC2(CC3CC4CC(C3)C2)C4)CC(C)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D07 compound treatment 0.391 -0.00128 -0.05 0.364 -0.00412 -0.27 -0.222 -0.8191 2065903 IFLab1_000073 COc1ccc(cc1)c2csc3nccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D08 compound treatment 0.398 0.00572 0.21 0.378 0.00988 0.64 0.6004 0.8925 2065904 IFLab1_000074 CCCC[n+]1c(C)csc1Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D09 compound treatment 0.407 0.0147 0.54 0.373 0.00488 0.32 0.6053 0.9671 1099044 IFLab1_000075 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D10 compound treatment 0.381 -0.0113 -0.41 0.357 -0.0111 -0.72 -0.802 -0.9656 1371837 IFLab1_000076 COc1ccc(cc1OC)C(=O)Nc2nc3c(C)cccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D11 compound treatment 0.396 0.00372 0.14 0.368 -1.25E-4 -0.01 0.0908 0.6641 1304281 IFLab1_000077 CNC(=O)CC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D12 compound treatment 0.397 0.00472 0.17 0.377 0.00888 0.57 0.5286 0.8812 2065905 IFLab1_000078 COc1ccc(N)cc1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D13 compound treatment 0.405 0.0127 0.47 0.37 0.00188 0.12 0.4161 0.8622 1552029 IFLab1_000079 NC(=O)c1cc(N)cc(c1)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D14 compound treatment 0.396 0.00372 0.14 0.366 -0.00212 -0.14 -7.0E-4 -0.0035 1020564 IFLab1_000080 COc1ccc(cc1)C(=O)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D15 compound treatment 0.397 0.00472 0.17 0.38 0.0119 0.77 0.6659 0.8453 1530606 IFLab1_000081 O=C1CC(Nc2ccc(cc2)N3CCOCC3)C(=O)N1Cc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D16 compound treatment 0.4 0.00772 0.28 0.378 0.00988 0.64 0.6523 0.9331 1978847 IFLab1_000082 NC1=[N+](Cc2ccccc2C#N)Cc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D17 compound treatment 0.403 0.0107 0.39 0.382 0.0139 0.9 0.9132 0.9315 1464506 IFLab1_000083 NC1(CC2CC3C1)CC(C2)(C3)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D18 compound treatment 0.401 0.00872 0.32 0.378 0.00988 0.64 0.6783 0.9489 2065906 IFLab1_000084 O=S1(=O)CCC(C1)NC(=S)SCCOc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D19 compound treatment 0.397 0.00472 0.17 0.385 0.0169 1.09 0.8947 0.8092 1158926 IFLab1_000085 CNC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D20 compound treatment 0.395 0.00272 0.1 0.363 -0.00512 -0.33 -0.1639 -0.4733 2065907 IFLab1_000086 CNC(=O)/C(=C\c1ccco1)/NC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D21 compound treatment 0.399 0.00672 0.25 0.372 0.00388 0.25 0.3518 1.0 1458474 IFLab1_000087 O=C(Oc1ccc(cc1)c2ccc(C#N)cc2)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D22 compound treatment 0.4 0.00772 0.28 0.389 0.0209 1.35 1.1556 0.8372 2065908 IFLab1_000088 OC(=O)CCN1C(=O)/C(=C/c2ccc(o2)c3ccccc3Cl)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D23 mock treatment 0.392 -2.81E-4 -0.01 0.368 -1.25E-4 -0.01 -0.013 -0.9927 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 D24 mock treatment 0.388 -0.00428 -0.16 0.371 0.00288 0.19 0.0204 0.0837 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E01 compound treatment 0.404 0.0117 0.43 0.37 0.00188 0.12 0.3901 0.8725 2065909 IFLab1_000089 CC(C)C(=O)Nc1nc2CCC(C)Cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E02 compound treatment 0.407 0.0147 0.54 0.368 -1.25E-4 -0.01 0.3765 0.6964 1311039 IFLab1_000090 CCOC(=O)NC(=O)c1ccc2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E03 compound treatment 0.405 0.0127 0.47 0.368 -1.25E-4 -0.01 0.3245 0.6948 2065910 IFLab1_000091 CN(C)c1ccc(/C=N/c2nnc(NC(=O)c3ccccc3Br)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E04 compound treatment 0.4 0.00772 0.28 0.365 -0.00312 -0.2 0.0574 0.165 1384833 IFLab1_000092 COc1cccc2sc(NC(=O)C)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E05 compound treatment 0.434 0.0417 1.53 0.391 0.0229 1.48 2.13 0.9999 1626820 IFLab1_000093 O=C(NCc1ccccc1)c2ccc(cc2)S(=O)(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E06 compound treatment 0.403 0.0107 0.39 0.372 0.00388 0.25 0.4556 0.9763 1478376 IFLab1_000094 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E07 compound treatment 0.437 0.0447 1.64 0.394 0.0259 1.67 2.3452 1.0 2065911 IFLab1_000095 COc1ccc(cc1)c2csc(NC(=O)c3cccs3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E08 compound treatment 0.466 0.0737 2.71 0.423 0.0549 3.55 4.4252 0.991 1228205 IFLab1_000096 CCN1C(=O)c2cccc3c(NC(=O)c4ccco4)ccc1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E09 compound treatment 0.39 -0.00228 -0.08 0.355 -0.0131 -0.85 -0.6598 -0.7731 1255545 IFLab1_000097 Clc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E10 compound treatment 0.408 0.0157 0.58 0.377 0.00888 0.57 0.8143 1.0 1922518 IFLab1_000098 NC(=O)/C=C/C(=O)Nc1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E11 compound treatment 0.49 0.0977 3.59 0.469 0.101 6.53 7.1533 0.9603 1738146 IFLab1_000099 COc1cc(OC)cc(c1)C(=O)N=c2[nH]c3ccc4ccccc4c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E12 compound treatment 0.412 0.0197 0.72 0.383 0.0149 0.96 1.1927 0.9902 1169513 IFLab1_000100 O=C(Nc1sc2CCCc2c1C#N)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E13 compound treatment 0.406 0.0137 0.5 0.382 0.0139 0.9 0.9911 0.9627 1628256 IFLab1_000101 CN(C1CCS(=O)(=O)C1)C(=O)c2ccc(Br)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E14 compound treatment 0.396 0.00372 0.14 0.377 0.00888 0.57 0.5027 0.8515 2065912 IFLab1_000102 Cn1c(SCC(=O)N)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E15 compound treatment 0.405 0.0127 0.47 0.375 0.00688 0.44 0.6448 0.9997 2065913 IFLab1_000103 COC(=O)CNC(c1ccccc1)c2cc(C)ccc2NC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E16 compound treatment 0.395 0.00272 0.1 0.378 0.00988 0.64 0.5225 0.8078 2065914 IFLab1_000104 Brc1c(nc2CCCn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E17 compound treatment 0.464 0.0717 2.63 0.439 0.0709 4.59 5.1054 0.9653 2065915 IFLab1_000105 Cc1ccc(/N=C/c2ccccc2O)c(c1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E18 compound treatment 0.408 0.0157 0.58 0.396 0.0279 1.8 1.6837 0.889 2065916 IFLab1_000106 CCOc1ccc(NC2=NCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E19 compound treatment 0.416 0.0237 0.87 0.406 0.0379 2.45 2.349 0.9031 2065917 IFLab1_000107 CC(C)c1nnc(NC(=O)Cc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E20 compound treatment 0.401 0.00872 0.32 0.374 0.00588 0.38 0.4952 0.9963 1696886 IFLab1_000108 CCOC(=O)c1sc(NC(=O)c2ccccc2OC)nc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E21 compound treatment 0.428 0.0357 1.31 0.398 0.0299 1.93 2.2945 0.9821 1367135 IFLab1_000109 CC(C)C(=O)N=c1[nH]c(c(s1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E22 compound treatment 0.395 0.00272 0.1 0.367 -0.00112 -0.07 0.0191 0.1547 1372651 IFLab1_000110 CC(C)C(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E23 mock treatment 0.39 -0.00228 -0.08 0.363 -0.00512 -0.33 -0.2937 -0.8587 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 E24 mock treatment 0.398 0.00572 0.21 0.365 -0.00312 -0.2 0.0055 0.0189 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F01 compound treatment 0.399 0.00672 0.25 0.384 0.0159 1.03 0.9009 0.8527 2065918 IFLab1_000111 O=C(NCSc1ncccn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F02 compound treatment 0.405 0.0127 0.47 0.37 0.00188 0.12 0.4161 0.8622 1189565 IFLab1_000112 COc1ccc(OCC(=O)N(C(C)C)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F03 compound treatment 0.407 0.0147 0.54 0.381 0.0129 0.83 0.9713 0.978 1252399 IFLab1_000113 CCc1nc(C#N)c(o1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F04 compound treatment 0.405 0.0127 0.47 0.389 0.0209 1.35 1.2855 0.8994 1660114 IFLab1_000114 CC(C)NCC(O)COc1cc(C)ccc1C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F05 compound treatment 0.416 0.0237 0.87 0.374 0.00588 0.38 0.8847 0.9309 1295924 IFLab1_000115 CCOP(=O)(c1nc(oc1NCc2ccccc2)c3ccc(Cl)cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F06 compound treatment 0.408 0.0157 0.58 0.38 0.0119 0.77 0.9515 0.9901 1563210 IFLab1_000116 CCN(CC)CC(O)COC1C2CC3CC(C2)CC1C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F07 compound treatment 0.411 0.0187 0.69 0.384 0.0159 1.03 1.2125 0.9809 2065919 IFLab1_000117 C(/N=C/1\CCCCCN1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F08 compound treatment 0.444 0.0517 1.9 0.42 0.0519 3.36 3.7167 0.9636 2065920 IFLab1_000118 ClC1=C(NC(=CS1)c2ccccc2)c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F09 compound treatment 0.401 0.00872 0.32 0.389 0.0209 1.35 1.1816 0.8511 2065921 IFLab1_000119 Cc1n(C)c2ccccc2[n+]1CC(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F10 compound treatment 0.443 0.0507 1.86 0.414 0.0459 2.97 3.4161 0.9748 1465253 IFLab1_000120 COc1ccc(cc1OC)C(=O)Nc2sc3CCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F11 compound treatment 0.404 0.0117 0.43 0.387 0.0189 1.22 1.168 0.9019 1517846 IFLab1_000121 O=C(N1CCOCC1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F12 compound treatment 0.404 0.0117 0.43 0.383 0.0149 0.96 0.9849 0.9341 1227669 IFLab1_000122 COc1ccc(NC(=O)C)cc1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F13 compound treatment 0.418 0.0257 0.94 0.401 0.0329 2.13 2.1721 0.9332 1378783 IFLab1_000123 CCCOc1ccccc1N2C(=O)CC(Nc3ccc(C)cc3)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F14 compound treatment 0.405 0.0127 0.47 0.386 0.0179 1.16 1.1482 0.9204 1124699 IFLab1_000124 CCOc1ccc(cc1)C(=O)CSCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F15 compound treatment 0.406 0.0137 0.5 0.387 0.0189 1.22 1.2199 0.9233 1261357 IFLab1_000125 COC(=O)CNc1ccccc1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F16 compound treatment 0.435 0.0427 1.57 0.412 0.0439 2.84 3.1169 0.9609 2065922 IFLab1_000126 Fc1ccc(cc1)c2cn3Cc4ccccc4-c3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F17 compound treatment 0.412 0.0197 0.72 0.391 0.0229 1.48 1.5587 0.9459 1175265 IFLab1_000127 COC(=O)C1(CC2CC3CC(N)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F18 compound treatment 0.404 0.0117 0.43 0.396 0.0279 1.8 1.5798 0.8519 2065923 IFLab1_000128 CC(=O)N(c1ccccc1)c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F19 compound treatment 0.421 0.0287 1.05 0.387 0.0189 1.22 1.6094 0.9973 1137572 IFLab1_000129 Nc1nc(cs1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F20 compound treatment 0.475 0.0827 3.04 0.454 0.0859 5.56 6.0774 0.9596 2065924 IFLab1_000130 Cc1ccc(cc1)C(=O)N/C(=C/c2ccco2)/C(=O)Nc3cccc(C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F21 compound treatment 0.409 0.0167 0.61 0.38 0.0119 0.77 0.9775 0.9938 1246928 IFLab1_000131 CCOC(=O)c1cccc(n1)C(=O)Nc2ccc(Cl)cn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F22 compound treatment 0.406 0.0137 0.5 0.385 0.0169 1.09 1.1284 0.9383 2065925 IFLab1_000132 Cc1ccc(/C=C/2\SC(=S)N(C3CCS(=O)(=O)C3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F23 mock treatment 0.404 0.0117 0.43 0.365 -0.00312 -0.2 0.1613 0.3392 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 F24 mock treatment 0.4 0.00772 0.28 0.381 0.0129 0.83 0.7896 0.8972 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G01 compound treatment 0.39 -0.00228 -0.08 0.371 0.00288 0.19 0.0723 0.3544 1606974 IFLab1_000133 COc1ccccc1C(=O)Nc2nc3CCC(C)Cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G02 compound treatment 0.401 0.00872 0.32 0.366 -0.00212 -0.14 0.1292 0.3707 2065926 IFLab1_000134 CCOC(=O)c1ccc(cc1)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G03 compound treatment 0.418 0.0257 0.94 0.401 0.0329 2.13 2.1721 0.9332 2065927 IFLab1_000135 Clc1ccc(C(=O)Nc2nnc(/N=C/c3cccs3)s2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G04 compound treatment 0.489 0.0967 3.55 0.438 0.0699 4.52 5.7088 0.9929 1374791 IFLab1_000136 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G05 compound treatment 0.393 7.19E-4 0.03 0.373 0.00488 0.32 0.2417 0.7636 1351064 IFLab1_000137 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G06 compound treatment 0.414 0.0217 0.8 0.388 0.0199 1.29 1.4734 0.9736 1314536 IFLab1_000138 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G07 compound treatment 0.396 0.00372 0.14 0.382 0.0139 0.9 0.7315 0.8054 1456201 IFLab1_000139 Cc1ccccc1N2C(=O)C3C=CC=CC3n4cnnc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G08 compound treatment 0.432 0.0397 1.46 0.398 0.0299 1.93 2.3984 0.9903 1237070 IFLab1_000140 O=C(CC1Sc2ccccc2NC1=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G09 compound treatment 0.476 0.0837 3.07 0.453 0.0849 5.49 6.0576 0.9624 1516945 IFLab1_000141 Cc1ccc(cc1C)c2csc(=NC(=O)c3cccc(Cl)c3)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G10 compound treatment 0.403 0.0107 0.39 0.385 0.0169 1.09 1.0505 0.905 2065928 IFLab1_000142 CCOc1ccccc1NC(=O)/C=C/C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G11 compound treatment 0.445 0.0527 1.94 0.424 0.0559 3.62 3.9257 0.9571 1351750 IFLab1_000143 O=C(N=c1[nH]c2ccc3ccccc3c2s1)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G12 compound treatment 0.416 0.0237 0.87 0.397 0.0289 1.87 1.9372 0.9396 1292829 IFLab1_000144 CCOc1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G13 compound treatment 0.402 0.00972 0.36 0.372 0.00388 0.25 0.4297 0.9851 1598186 IFLab1_000145 CC(C)(C)P(=O)(NCc1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G14 compound treatment 0.395 0.00272 0.1 0.367 -0.00112 -0.07 0.0191 0.1547 2065929 IFLab1_000146 CCOc1ccc(cc1)C(=O)C[n+]2ccsc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G15 compound treatment 0.398 0.00572 0.21 0.37 0.00188 0.12 0.2343 0.966 2065930 IFLab1_000147 COC(=O)CNC(c1ccccc1)c2cc(Br)ccc2NC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G16 compound treatment 0.401 0.00872 0.32 0.378 0.00988 0.64 0.6783 0.9489 1112886 IFLab1_000148 Clc1ccc(cc1)c2cc3ccccn3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G17 compound treatment 0.407 0.0147 0.54 0.391 0.0229 1.48 1.4289 0.9067 1641695 IFLab1_000149 Cc1ccc(N)c(c1)C(O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G18 compound treatment 0.446 0.0537 1.97 0.39 0.0219 1.42 2.3958 0.9868 1396561 IFLab1_000150 CC(=C)CN1CCN(CC1)C(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G19 compound treatment 0.46 0.0677 2.49 0.427 0.0589 3.81 4.4524 0.9786 2065931 IFLab1_000151 CC(C)c1nnc(NC(=O)c2cccs2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G20 compound treatment 0.492 0.0997 3.66 0.469 0.101 6.53 7.2052 0.9626 1139085 IFLab1_000152 CCOC(=O)c1sc(NC(=O)c2cccs2)nc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G21 compound treatment 0.504 0.112 4.1 0.478 0.11 7.11 7.9286 0.9659 2065932 IFLab1_000153 CC(=O)Nc1ccc2nc(NC(=O)c3cccs3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G22 compound treatment 0.388 -0.00428 -0.16 0.374 0.00588 0.38 0.1577 0.3832 1455038 IFLab1_000154 CC(C)C(=O)N1CC(=O)Nc2ccc(C)cc2C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G23 mock treatment 0.39 -0.00228 -0.08 0.364 -0.00412 -0.27 -0.248 -0.8864 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 G24 mock treatment 0.391 -0.00128 -0.05 0.372 0.00388 0.25 0.144 0.5646 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H01 compound treatment 0.398 0.00572 0.21 0.383 0.0149 0.96 0.8291 0.8416 2065933 IFLab1_000155 Cc1ccc(cc1)C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H02 compound treatment 0.395 0.00272 0.1 0.37 0.00188 0.12 0.1564 0.9953 1089066 IFLab1_000156 OC(=O)CN1C(=O)C2C3CC(C=C3)C2C1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H03 compound treatment 0.393 7.19E-4 0.03 0.366 -0.00212 -0.14 -0.0786 -0.5611 2065934 IFLab1_000157 CNc1oc(nc1C#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H04 compound treatment 0.396 0.00372 0.14 0.369 8.75E-4 0.06 0.1366 0.924 1134668 IFLab1_000158 CC(C)NCC(O)COC1CC(C)CCC1C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H05 compound treatment 0.403 0.0107 0.39 0.372 0.00388 0.25 0.4556 0.9763 1022918 IFLab1_000159 N=c1[nH]c(c(s1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H06 compound treatment 0.421 0.0287 1.05 0.392 0.0239 1.54 1.8382 0.9827 1601554 IFLab1_000160 COc1cc(ccc1N)C2(CCCCC2)c3ccc(N)c(OC)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H07 compound treatment 0.478 0.0857 3.15 0.416 0.0479 3.1 4.4165 1.0 2065935 IFLab1_000161 COc1ccc(cc1)C(=O)CSc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H08 compound treatment 0.4 0.00772 0.28 0.37 0.00188 0.12 0.2862 0.9283 1198451 IFLab1_000162 CCOC(=O)c1csc(NC(=O)c2ccccc2OC)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H09 compound treatment 0.4 0.00772 0.28 0.377 0.00888 0.57 0.6065 0.947 1391379 IFLab1_000163 COc1ccc(C(=O)CSc2nc3ccccc3[nH]2)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H10 compound treatment 0.395 0.00272 0.1 0.37 0.00188 0.12 0.1564 0.9953 1156950 IFLab1_000164 COc1cccc(c1)C(=O)Nc2ccc3nc(SC)sc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H11 compound treatment 0.397 0.00472 0.17 0.376 0.00788 0.51 0.4829 0.8971 2065936 IFLab1_000165 Cc1ccc(C)c(SCC(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H12 compound treatment 0.402 0.00972 0.36 0.389 0.0209 1.35 1.2076 0.8643 1337746 IFLab1_000166 CC(=O)Nc1ccc(NC(=O)CSc2ccccc2C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H13 compound treatment 0.411 0.0187 0.69 0.374 0.00588 0.38 0.7549 0.961 2065937 IFLab1_000167 CC(=O)Nc1sccc1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H14 compound treatment 0.396 0.00372 0.14 0.375 0.00688 0.44 0.4111 0.8835 2065938 IFLab1_000168 CC(C)N(C(=O)C[n+]1ccsc1N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H15 compound treatment 0.416 0.0237 0.87 0.402 0.0339 2.19 2.1659 0.9182 1864902 IFLab1_000169 O=S(=O)(NCc1ccccc1)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H16 compound treatment 0.401 0.00872 0.32 0.383 0.0149 0.96 0.907 0.8941 2065939 IFLab1_000170 CCOc1ccc(cc1)C(=O)/C(=N/O)/C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H17 compound treatment 0.414 0.0217 0.8 0.387 0.0189 1.22 1.4276 0.9787 1313832 IFLab1_000171 NC(=O)C1(CC2CC3CC(C2)CC1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H18 compound treatment 0.391 -0.00128 -0.05 0.382 0.0139 0.9 0.6016 0.6691 2065940 IFLab1_000172 CCOC(=O)C1=C(C)NC(=NC1c2ccccc2)SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H19 compound treatment 0.408 0.0157 0.58 0.386 0.0179 1.16 1.2261 0.9484 1727964 IFLab1_000173 CNC(=O)C1(CC2CC3C1)CC(C2)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H20 compound treatment 0.422 0.0297 1.09 0.4 0.0319 2.06 2.2302 0.9557 2065941 IFLab1_000174 O=C/1Nc2ccccc2\C1=N\C3CCS(=O)(=O)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H21 compound treatment 0.405 0.0127 0.47 0.376 0.00788 0.51 0.6906 0.9991 1490379 IFLab1_000175 Nc1ccc(CCc2nc3cc(N)ccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H22 compound treatment 0.4 0.00772 0.28 0.373 0.00488 0.32 0.4235 0.9986 2065942 IFLab1_000176 Cc1ccc(cc1)C2=N/C(=C\c3cccs3)/C(=O)O2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H23 mock treatment 0.394 0.00172 0.06 0.372 0.00388 0.25 0.2219 0.8583 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 H24 mock treatment 0.399 0.00672 0.25 0.367 -0.00112 -0.07 0.123 0.4781 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I01 compound treatment 0.404 0.0117 0.43 0.375 0.00688 0.44 0.6189 0.9999 1167788 IFLab1_000177 COc1ccccc1c2csc(N)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I02 compound treatment 0.406 0.0137 0.5 0.384 0.0159 1.03 1.0826 0.9462 2065943 IFLab1_000178 CN(C)CCOC(=O)c1ccc(cc1)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I03 compound treatment 0.459 0.0667 2.45 0.427 0.0589 3.81 4.4265 0.9772 1336253 IFLab1_000179 CC(=O)Oc1ccc(cc1)c2ccc(cc2)C(=O)Nc3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I04 compound treatment 0.369 -0.0233 -0.85 0.341 -0.0271 -1.76 -1.8457 -0.9453 2065944 IFLab1_000180 Cc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I05 compound treatment 0.402 0.00972 0.36 0.378 0.00988 0.64 0.7042 0.9621 1309772 IFLab1_000181 COc1ccccc1NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I06 compound treatment 0.405 0.0127 0.47 0.379 0.0109 0.7 0.8279 0.9802 1163700 IFLab1_000182 O=C(Nc1nccs1)c2ccc(cc2)S(=O)(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I07 compound treatment 0.426 0.0337 1.24 0.409 0.0409 2.65 2.7459 0.9402 2065945 IFLab1_000183 CC(C)(C)C(=O)Nc1nnc(/N=C/c2ccc(Br)s2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I08 compound treatment 0.407 0.0147 0.54 0.388 0.0199 1.29 1.2916 0.9258 2065946 IFLab1_000184 COc1ccc(/C=C/C(=O)N2CCOCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I09 compound treatment 0.489 0.0967 3.55 0.44 0.0719 4.65 5.8003 0.9911 1398037 IFLab1_000185 Cc1ccc(cc1C)c2csc(=NC(=O)c3ccccc3F)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I10 compound treatment 0.42 0.0277 1.02 0.388 0.0199 1.29 1.6292 0.9933 1613217 IFLab1_000186 O=C(CC1Nc2ccccc2NC1=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I11 compound treatment 0.451 0.0587 2.16 0.431 0.0629 4.07 4.4018 0.9559 1164573 IFLab1_000187 COc1cc(OC)cc(c1)C(=O)N=c2[nH]c(cs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I12 compound treatment 0.423 0.0307 1.13 0.409 0.0409 2.65 2.668 0.9278 1722777 IFLab1_000188 CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I13 compound treatment 0.403 0.0107 0.39 0.385 0.0169 1.09 1.0505 0.905 1916136 IFLab1_000189 CC(C)C1(C)NC(=NC1=O)c2ncccc2C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I14 compound treatment 0.406 0.0137 0.5 0.385 0.0169 1.09 1.1284 0.9383 1136476 IFLab1_000190 CCOc1ccc(Cc2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I15 compound treatment 0.394 0.00172 0.06 0.379 0.0109 0.7 0.5422 0.7674 2065947 IFLab1_000191 CCOC(=O)Nc1ccc(Br)cc1C(NCC(=O)OC)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I16 compound treatment 0.405 0.0127 0.47 0.391 0.0229 1.48 1.377 0.8871 1046914 IFLab1_000192 OC(=O)CCC(=O)Nc1nccs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I17 compound treatment 0.448 0.0557 2.05 0.407 0.0389 2.52 3.2257 0.9947 2065948 IFLab1_000193 CCc1nnc(NC(=O)c2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I18 compound treatment 0.413 0.0207 0.76 0.378 0.00988 0.64 0.9899 0.9962 1702732 IFLab1_000194 Nc1nc(c(s1)C(=O)Nc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I19 compound treatment 0.542 0.15 5.5 0.521 0.153 9.89 10.8829 0.9616 1571935 IFLab1_000195 Cc1ccc2[nH]c(=NC(=O)c3ccccc3C)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I20 compound treatment 0.41 0.0177 0.65 0.409 0.0409 2.65 2.3305 0.8555 1688422 IFLab1_000196 CCOC(=O)c1sc(NC(=O)c2ccco2)nc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I21 compound treatment 0.419 0.0267 0.98 0.401 0.0329 2.13 2.1981 0.9382 2065949 IFLab1_000197 CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I22 compound treatment 0.405 0.0127 0.47 0.4 0.0319 2.06 1.7888 0.8458 1724906 IFLab1_000198 CCCCC(=O)N1CC(=O)Nc2ccc(C)cc2C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I23 mock treatment 0.402 0.00972 0.36 0.371 0.00288 0.19 0.3839 0.9539 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 I24 mock treatment 0.4 0.00772 0.28 0.372 0.00388 0.25 0.3777 0.9981 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J01 compound treatment 0.4 0.00772 0.28 0.381 0.0129 0.83 0.7896 0.8972 1913601 IFLab1_000199 COc1ccc2sc(C(=O)O)c(Br)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J02 compound treatment 0.515 0.123 4.51 0.493 0.125 8.08 8.9006 0.962 2065950 IFLab1_000200 Nc1ccc(Br)cc1c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J03 compound treatment 0.395 0.00272 0.1 0.37 0.00188 0.12 0.1564 0.9953 1731303 IFLab1_000201 COC(=O)c1nc(oc1N2CCOCC2)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J04 compound treatment 0.393 7.19E-4 0.03 0.369 8.75E-4 0.06 0.0587 0.9396 1229921 IFLab1_000202 CC(C)C1CCC(C)CC1OCC(O)CNC(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J05 compound treatment 0.397 0.00472 0.17 0.371 0.00288 0.19 0.2541 0.9994 1170020 IFLab1_000203 COc1ccc(cc1)c2nc(N)sc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J06 compound treatment 0.392 -2.81E-4 -0.01 0.385 0.0169 1.09 0.7649 0.7004 1020977 IFLab1_000204 CS(=O)(=O)c1ccc(N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J07 compound treatment 0.489 0.0967 3.55 0.425 0.0569 3.68 5.1139 0.9998 2065951 IFLab1_000205 CCOc1ccc(cc1)C(=O)CSc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J08 compound treatment 0.406 0.0137 0.5 0.371 0.00288 0.19 0.4878 0.9083 1509443 IFLab1_000206 COc1ccc(cc1OC)C(=O)Nc2nc3c(OC)cccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J09 compound treatment 0.394 0.00172 0.06 0.371 0.00288 0.19 0.1762 0.8968 2065952 IFLab1_000207 Cc1cc(ccc1O)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J10 compound treatment 0.391 -0.00128 -0.05 0.36 -0.00812 -0.53 -0.4051 -0.7673 1366440 IFLab1_000208 CSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J11 compound treatment 0.411 0.0187 0.69 0.384 0.0159 1.03 1.2125 0.9809 1250082 IFLab1_000209 COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J12 compound treatment 0.393 7.19E-4 0.03 0.366 -0.00212 -0.14 -0.0786 -0.5611 2065953 IFLab1_000210 FC(F)(F)C(=O)NCC1(CC2CC3C1)CC(CNC(=O)C(F)(F)F)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J13 compound treatment 0.397 0.00472 0.17 0.379 0.0109 0.7 0.6201 0.8557 1116743 IFLab1_000211 COC(=O)c1cc(Cl)c(cc1Cl)C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J14 compound treatment 0.476 0.0837 3.07 0.45 0.0819 5.3 5.9203 0.9665 2065954 IFLab1_000212 CCOc1ccc(cc1)C2=C(C)SC(=NN2)Nc3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J15 compound treatment 0.396 0.00372 0.14 0.37 0.00188 0.12 0.1824 0.9983 2065955 IFLab1_000213 O=S(=O)(/C=C/c1ccccc1)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J16 compound treatment 0.392 -2.81E-4 -0.01 0.374 0.00588 0.38 0.2615 0.6876 2065956 IFLab1_000214 OC1=NC(C(=O)N1)(c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J17 compound treatment 0.419 0.0267 0.98 0.388 0.0199 1.29 1.6032 0.9911 2065957 IFLab1_000215 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)NC4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J18 compound treatment 0.399 0.00672 0.25 0.37 0.00188 0.12 0.2603 0.9466 2065958 IFLab1_000216 CN(C)C(=O)/C(=C\c1ccco1)/NC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J19 compound treatment 0.405 0.0127 0.47 0.394 0.0259 1.67 1.5143 0.8711 1364663 IFLab1_000217 COc1cc(OC)cc(c1)C(=O)NC(C(=O)O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J20 compound treatment 0.399 0.00672 0.25 0.367 -0.00112 -0.07 0.123 0.4781 2065959 IFLab1_000218 O=C(NC1CCCCC1)/C(=C\c2cccs2)/NC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J21 compound treatment 0.408 0.0157 0.58 0.382 0.0139 0.9 1.0431 0.9772 1331163 IFLab1_000219 CCc1ccc(OC(=O)c2cncc(Br)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J22 compound treatment 0.395 0.00272 0.1 0.363 -0.00512 -0.33 -0.1639 -0.4733 2065960 IFLab1_000220 CN(Cc1ccccc1)C(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J23 mock treatment 0.396 0.00372 0.14 0.369 8.75E-4 0.06 0.1366 0.924 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 J24 mock treatment 0.391 -0.00128 -0.05 0.371 0.00288 0.19 0.0983 0.5122 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K01 compound treatment 0.389 -0.00328 -0.12 0.372 0.00388 0.25 0.0921 0.3311 1482153 IFLab1_000221 CN1C(=O)CN=C(c2ccccc2)c3cc(C)ccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K02 compound treatment 0.41 0.0177 0.65 0.387 0.0189 1.22 1.3238 0.9565 2065961 IFLab1_000222 COC(=O)c1cccc(c1)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K03 compound treatment 0.435 0.0427 1.57 0.412 0.0439 2.84 3.1169 0.9609 1434293 IFLab1_000223 Cc1cccc2sc(NC(=O)c3ccccc3)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K04 compound treatment 0.41 0.0177 0.65 0.388 0.0199 1.29 1.3695 0.9502 1553252 IFLab1_000224 Clc1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K05 compound treatment 0.403 0.0107 0.39 0.375 0.00688 0.44 0.5929 0.9981 1384219 IFLab1_000225 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K06 compound treatment 0.413 0.0207 0.76 0.41 0.0419 2.71 2.4541 0.8719 2065962 IFLab1_000226 Oc1ccc(/N=C/c2ccccc2)cc1c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K07 compound treatment 0.408 0.0157 0.58 0.392 0.0239 1.54 1.5006 0.9099 2065963 IFLab1_000227 Cc1cccc(c1)C(=O)Nc2nnc(/N=C/c3ccc(Br)s3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K08 compound treatment 0.405 0.0127 0.47 0.375 0.00688 0.44 0.6448 0.9997 1915824 IFLab1_000228 OC(=O)CCCCc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K09 compound treatment 0.447 0.0547 2.01 0.431 0.0629 4.07 4.2979 0.9471 1414943 IFLab1_000229 Cc1ccc(cc1C)c2csc(=NC(=O)c3cccs3)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K10 compound treatment 0.403 0.0107 0.39 0.381 0.0129 0.83 0.8675 0.9414 1181259 IFLab1_000230 COc1cc(C)nc(n1)N(CCO)CCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K11 compound treatment 0.461 0.0687 2.52 0.43 0.0619 4.0 4.6157 0.9752 1174301 IFLab1_000231 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N=c2[nH]c(cs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K12 compound treatment 0.453 0.0607 2.23 0.445 0.0769 4.97 5.0943 0.9345 1544781 IFLab1_000232 Brc1ccc2[nH]c(=O)cc(c3ccccc3)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K13 compound treatment 0.393 7.19E-4 0.03 0.385 0.0169 1.09 0.7908 0.724 2065964 IFLab1_000233 O=C/1/C(=C/c2ccncc2)/CC\C1=C/c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K14 compound treatment 0.403 0.0107 0.39 0.376 0.00788 0.51 0.6387 0.9919 2065965 IFLab1_000234 C1Cc2nc(cn2C1)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K15 compound treatment 0.396 0.00372 0.14 0.376 0.00788 0.51 0.4569 0.866 2065966 IFLab1_000235 COC(=O)CNC(c1ccccc1)c2cc(Br)ccc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K16 compound treatment 0.401 0.00872 0.32 0.383 0.0149 0.96 0.907 0.8941 2065967 IFLab1_000236 Brc1ccc(/N=C\2/CCCN2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K17 compound treatment 0.471 0.0787 2.89 0.439 0.0709 4.59 5.2872 0.9752 2065968 IFLab1_000237 CCc1nnc(NC(=O)Cc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K18 compound treatment 0.41 0.0177 0.65 0.383 0.0149 0.96 1.1407 0.9818 1163040 IFLab1_000238 CCc1nc2sc3CCCc3c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K19 compound treatment 0.413 0.0207 0.76 0.394 0.0259 1.67 1.722 0.9363 1246151 IFLab1_000239 Cc1ccc2[nH]c(=NC(=O)c3ccc(cc3)c4ccccc4)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K20 compound treatment 0.395 0.00272 0.1 0.37 0.00188 0.12 0.1564 0.9953 1554752 IFLab1_000240 CC(=O)Nc1nc(c(s1)C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K21 compound treatment 0.396 0.00372 0.14 0.371 0.00288 0.19 0.2281 0.9884 1482437 IFLab1_000241 CC(=O)Nc1ccc2nc(NC(=O)C(C)(C)C)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K22 compound treatment 0.404 0.0117 0.43 0.372 0.00388 0.25 0.4816 0.967 1251197 IFLab1_000242 CCc1cc(C(=O)Cc2ccc3ccccc3n2)c(O)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K23 mock treatment 0.393 7.19E-4 0.03 0.364 -0.00412 -0.27 -0.1701 -0.6341 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 K24 mock treatment 0.392 -2.81E-4 -0.01 0.379 0.0109 0.7 0.4903 0.6967 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L01 compound treatment 0.408 0.0157 0.58 0.392 0.0239 1.54 1.5006 0.9099 2065969 IFLab1_000243 CN(C)c1oc(C)nc1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L02 compound treatment 0.407 0.0147 0.54 0.385 0.0169 1.09 1.1544 0.9474 1438167 IFLab1_000244 COc1ccc(cc1)C(=O)CSc2nc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L03 compound treatment 0.406 0.0137 0.5 0.379 0.0109 0.7 0.8538 0.9866 2065970 IFLab1_000245 COC(=O)c1nc(oc1N(C)C)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L04 compound treatment 0.399 0.00672 0.25 0.38 0.0119 0.77 0.7178 0.8894 1432807 IFLab1_000246 CC(C)C1CCC(C)CC1OCC(O)CN2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L05 compound treatment 0.407 0.0147 0.54 0.389 0.0209 1.35 1.3374 0.9192 1715518 IFLab1_000247 CCc1sc(N)nc1c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L06 compound treatment 0.403 0.0107 0.39 0.387 0.0189 1.22 1.142 0.8899 2065971 IFLab1_000248 OC(=O)CSc1cccc2cccc(C(=O)O)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L07 compound treatment 0.404 0.0117 0.43 0.375 0.00688 0.44 0.6189 0.9999 2065972 IFLab1_000249 C1CCN=C(CC1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L08 compound treatment 0.402 0.00972 0.36 0.386 0.0179 1.16 1.0703 0.8841 1472187 IFLab1_000250 CCOC(=O)c1csc(NC(=O)c2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L09 compound treatment 0.404 0.0117 0.43 0.39 0.0219 1.42 1.3053 0.8822 1077649 IFLab1_000251 O=C(c1ccccc1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L10 compound treatment 0.403 0.0107 0.39 0.402 0.0339 2.19 1.8284 0.8209 1543700 IFLab1_000252 CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L11 compound treatment 0.404 0.0117 0.43 0.398 0.0299 1.93 1.6713 0.8439 1920684 IFLab1_000253 Nc1cc(ccc1C(=O)O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L12 compound treatment 0.401 0.00872 0.32 0.394 0.0259 1.67 1.4104 0.8273 1209783 IFLab1_000254 ONC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L13 compound treatment 0.377 -0.0153 -0.56 0.372 0.00388 0.25 -0.2195 -0.3571 2065973 IFLab1_000255 Oc1ccc(Br)cc1/C=[N+](\[O-])/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L14 compound treatment 0.456 0.0637 2.34 0.446 0.0779 5.04 5.218 0.9391 2065974 IFLab1_000256 COc1ccc(/C=N/C2=NNC(=CS2)c3ccc(OC)cc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L15 compound treatment 0.426 0.0337 1.24 0.411 0.0429 2.77 2.8374 0.9339 2065975 IFLab1_000257 Oc1ccccc1C2=Nc3ccccc3NC(=C2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L16 compound treatment 0.391 -0.00128 -0.05 0.396 0.0279 1.8 1.2422 0.6884 2065976 IFLab1_000258 c1c(sc2nc3ccccc3n12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L17 compound treatment 0.411 0.0187 0.69 0.405 0.0369 2.39 2.1734 0.8752 2065977 IFLab1_000259 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L18 compound treatment 0.398 0.00572 0.21 0.394 0.0259 1.67 1.3325 0.7896 1565649 IFLab1_000260 Fc1ccc(cc1)C2NCCc3nc[nH]c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L19 compound treatment 0.41 0.0177 0.65 0.399 0.0309 2.0 1.8729 0.8913 1181085 IFLab1_000261 Clc1ccc(cc1Cl)S(=O)(=O)N2CCn3c(C2)nc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L20 compound treatment 0.405 0.0127 0.47 0.399 0.0309 2.0 1.743 0.8495 2065978 IFLab1_000262 O=C(N/C(=C/c1cccs1)/C(=O)N2CCCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L21 compound treatment 0.399 0.00672 0.25 0.378 0.00988 0.64 0.6263 0.9143 1005863 IFLab1_000263 c1ccc(cc1)c2nn(c3ccccc3)[n+](n2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L22 compound treatment 0.406 0.0137 0.5 0.382 0.0139 0.9 0.9911 0.9627 1133625 IFLab1_000264 Clc1c(sc2ccccc12)C(=O)NCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L23 mock treatment 0.4 0.00772 0.28 0.38 0.0119 0.77 0.7438 0.9081 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 L24 mock treatment 0.396 0.00372 0.14 0.379 0.0109 0.7 0.5942 0.8289 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M01 compound treatment 0.394 0.00172 0.06 0.376 0.00788 0.51 0.405 0.7887 1077797 IFLab1_000265 OC1(CC(=O)c2ccccc2)C(=O)Nc3ccccc31 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M02 compound treatment 0.407 0.0147 0.54 0.374 0.00588 0.38 0.651 0.9852 2065979 IFLab1_000266 N=C1N(Cc2ccccc12)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M03 compound treatment 0.389 -0.00328 -0.12 0.366 -0.00212 -0.14 -0.1824 -0.9978 1274778 IFLab1_000267 Cc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M04 compound treatment 0.407 0.0147 0.54 0.382 0.0139 0.9 1.0171 0.9705 2065980 IFLab1_000268 CC(C)C(=O)Nc1nc2ccc(Cl)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M05 compound treatment 0.403 0.0107 0.39 0.377 0.00888 0.57 0.6844 0.983 1248780 IFLab1_000269 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M06 compound treatment 0.386 -0.00628 -0.23 0.371 0.00288 0.19 -0.0315 -0.1065 1352995 IFLab1_000270 CC(C)C(=O)Nc1ccccc1c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M07 compound treatment 0.409 0.0167 0.61 0.389 0.0209 1.35 1.3893 0.9363 1123586 IFLab1_000271 COc1ccc(cc1)C(=O)N=c2[nH]c3CCC(C)Cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M08 compound treatment 0.405 0.0127 0.47 0.381 0.0129 0.83 0.9194 0.9626 1136362 IFLab1_000272 O=C(CSc1nc2ccccc2o1)OCC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M09 compound treatment 0.403 0.0107 0.39 0.384 0.0159 1.03 1.0047 0.9133 1169709 IFLab1_000273 COc1ccc(C(=O)N=c2[nH]c(cs2)c3ccc(C)cc3)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M10 compound treatment 0.399 0.00672 0.25 0.372 0.00388 0.25 0.3518 1.0 1378300 IFLab1_000274 CCOc1cccc2sc(NC(=O)CC)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M11 compound treatment 0.396 0.00372 0.14 0.382 0.0139 0.9 0.7315 0.8054 1648536 IFLab1_000275 O=C(N=c1[nH]c(cs1)c2ccccc2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M12 compound treatment 0.4 0.00772 0.28 0.383 0.0149 0.96 0.8811 0.878 1115780 IFLab1_000276 CCOC(=O)c1nc[nH]c1C(=O)OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M13 compound treatment 0.418 0.0257 0.94 0.405 0.0369 2.39 2.3552 0.9177 1122531 IFLab1_000277 Oc1ccc(cc1)N2C(=O)c3cccc4cccc(C2=O)c34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M14 compound treatment 0.398 0.00572 0.21 0.38 0.0119 0.77 0.6919 0.8685 1349436 IFLab1_000278 OCCN=c1scc(c2ccc(Br)cc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M15 compound treatment 0.399 0.00672 0.25 0.376 0.00788 0.51 0.5348 0.9446 2065981 IFLab1_000279 Nc1ccc(Br)cc1C(NCC(=O)O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M16 compound treatment 0.399 0.00672 0.25 0.391 0.0229 1.48 1.2212 0.8137 2065982 IFLab1_000280 CCOC(=O)CSc1ncc([nH]1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M17 compound treatment 0.402 0.00972 0.36 0.381 0.0129 0.83 0.8415 0.9284 2065983 IFLab1_000281 CCc1nnc(NC(=O)/C=C/c2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M18 compound treatment 0.399 0.00672 0.25 0.391 0.0229 1.48 1.2212 0.8137 1402099 IFLab1_000282 CC(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M19 compound treatment 0.428 0.0357 1.31 0.416 0.0479 3.1 3.1182 0.9268 1334707 IFLab1_000283 Cc1ccc2[nH]c(=NC(=O)c3ccc(F)cc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M20 compound treatment 0.4 0.00772 0.28 0.382 0.0139 0.9 0.8353 0.8872 1173878 IFLab1_000284 CC(C)C(=O)Nc1nc(c(s1)C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M21 compound treatment 0.393 7.19E-4 0.03 0.367 -0.00112 -0.07 -0.0328 -0.4238 1399425 IFLab1_000285 CC(=O)Nc1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M22 compound treatment 0.397 0.00472 0.17 0.368 -1.25E-4 -0.01 0.1168 0.6734 1173147 IFLab1_000286 Cc1nc(cs1)c2coc3cc(OCC(=O)O)ccc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M23 mock treatment 0.395 0.00272 0.1 0.364 -0.00412 -0.27 -0.1182 -0.4146 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 M24 mock treatment 0.388 -0.00428 -0.16 0.376 0.00788 0.51 0.2492 0.4672 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N01 compound treatment 0.395 0.00272 0.1 0.378 0.00988 0.64 0.5225 0.8078 1261092 IFLab1_000287 COc1nc(C#N)c(o1)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N02 compound treatment 0.392 -2.81E-4 -0.01 0.373 0.00488 0.32 0.2158 0.6836 1016465 IFLab1_000288 O=S(=O)(N1CCN(CC1)S(=O)(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N03 compound treatment 0.464 0.0717 2.63 0.434 0.0659 4.26 4.8766 0.9732 1147410 IFLab1_000289 CNc1oc(nc1S(=O)(=O)c2ccc(C)cc2)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N04 compound treatment 0.392 -2.81E-4 -0.01 0.373 0.00488 0.32 0.2158 0.6836 1252245 IFLab1_000290 CC1CN(CC(O)COCc2ccccc2)CC(C)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N05 compound treatment 0.428 0.0357 1.31 0.407 0.0389 2.52 2.7063 0.9539 1056492 IFLab1_000291 O=C(CSc1nc2ccccc2s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N06 compound treatment 0.397 0.00472 0.17 0.378 0.00988 0.64 0.5744 0.8675 2065984 IFLab1_000292 COc1c2ccccc2c(OC)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N07 compound treatment 0.396 0.00372 0.14 0.378 0.00988 0.64 0.5484 0.8393 2065985 IFLab1_000293 C1CCN/C(=N\c2ccc(/N=C\3/CCCCCN3)cc2)/CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N08 compound treatment 0.392 -2.81E-4 -0.01 0.373 0.00488 0.32 0.2158 0.6836 2065986 IFLab1_000294 CCOC(=O)c1csc(NC(=O)CC)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N09 compound treatment 0.391 -0.00128 -0.05 0.376 0.00788 0.51 0.3271 0.6391 1303815 IFLab1_000295 CCNC(=O)OCCC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N10 compound treatment 0.393 7.19E-4 0.03 0.377 0.00888 0.57 0.4248 0.7388 1343698 IFLab1_000296 O=S(=O)(N1CCOCC1)c2ccc(cc2)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N11 compound treatment 0.395 0.00272 0.1 0.382 0.0139 0.9 0.7055 0.7809 2065987 IFLab1_000297 CCc1cc(CC)c(/C=N/O)c(CC)c1/C=N/O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N12 compound treatment 0.395 0.00272 0.1 0.38 0.0119 0.77 0.614 0.7923 1689360 IFLab1_000298 CCCNC1C2CC3CC(C2)CC1C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N13 compound treatment 0.405 0.0127 0.47 0.392 0.0239 1.54 1.4227 0.8815 2065988 IFLab1_000299 [O-]/[N+](=C\c1cccc(Br)c1)/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N14 compound treatment 0.395 0.00272 0.1 0.37 0.00188 0.12 0.1564 0.9953 1257989 IFLab1_000300 COc1c(nc2ccccn12)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N15 compound treatment 0.395 0.00272 0.1 0.391 0.0229 1.48 1.1173 0.7531 1515635 IFLab1_000301 CC(C)(C)NC(=O)CC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N16 compound treatment 0.394 0.00172 0.06 0.383 0.0149 0.96 0.7253 0.7519 2065989 IFLab1_000302 OC(=O)C1Cc2nc[nH]c2C(N1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N17 compound treatment 0.404 0.0117 0.43 0.386 0.0179 1.16 1.1222 0.9093 2065990 IFLab1_000303 CCN(CC)C(=O)C1(CC2CC3CC(Cl)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N18 compound treatment 0.396 0.00372 0.14 0.384 0.0159 1.03 0.823 0.7941 2065991 IFLab1_000304 COc1ccc(/C=C(/NC(=O)c2ccccc2)\C(=O)N3CCCCC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N19 compound treatment 0.415 0.0227 0.83 0.399 0.0309 2.0 2.0027 0.925 1344908 IFLab1_000305 Brc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N20 compound treatment 0.398 0.00572 0.21 0.379 0.0109 0.7 0.6461 0.8798 2065992 IFLab1_000306 Cc1ccc(cc1)C(=O)N/C(=C/c2cccs2)/C(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N21 compound treatment 0.434 0.0417 1.53 0.383 0.0149 0.96 1.7639 0.9749 2065993 IFLab1_000307 Oc1ccccc1/C=C\2/SC(=S)N(CC=C)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N22 compound treatment 0.387 -0.00528 -0.19 0.368 -1.25E-4 -0.01 -0.1429 -0.736 2065994 IFLab1_000308 CC1(C)C(C=C(Cl)Cl)C1C(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N23 mock treatment 0.396 0.00372 0.14 0.369 8.75E-4 0.06 0.1366 0.924 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 N24 mock treatment 0.389 -0.00328 -0.12 0.364 -0.00412 -0.27 -0.274 -0.9354 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O01 compound treatment 0.389 -0.00328 -0.12 0.359 -0.00912 -0.59 -0.5027 -0.8342 1335173 IFLab1_000309 O=C(Nc1ccccc1)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O02 compound treatment 0.403 0.0107 0.39 0.375 0.00688 0.44 0.5929 0.9981 2065995 IFLab1_000310 OC(=O)c1cc(ccc1O)N2Cc3ccccc3C2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O03 compound treatment 0.403 0.0107 0.39 0.376 0.00788 0.51 0.6387 0.9919 1153397 IFLab1_000311 COc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O04 compound treatment 0.405 0.0127 0.47 0.389 0.0209 1.35 1.2855 0.8994 2065996 IFLab1_000312 Clc1ccc2nc(NC(=O)c3cccs3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O05 compound treatment 0.401 0.00872 0.32 0.38 0.0119 0.77 0.7698 0.9247 1740717 IFLab1_000313 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3CCCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O06 compound treatment 0.489 0.0967 3.55 0.46 0.0919 5.95 6.7155 0.9697 1547719 IFLab1_000314 COc1ccc2nc(NC(=O)c3cccs3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O07 compound treatment 0.393 7.19E-4 0.03 0.381 0.0129 0.83 0.6078 0.7291 1154542 IFLab1_000315 CC(=O)N=c1[nH]c(cs1)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O08 compound treatment 0.403 0.0107 0.39 0.385 0.0169 1.09 1.0505 0.905 1421349 IFLab1_000316 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O09 compound treatment 0.395 0.00272 0.1 0.408 0.0399 2.58 1.8952 0.7339 1183972 IFLab1_000317 Clc1ccc2[nH]c(=NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O10 compound treatment 0.395 0.00272 0.1 0.402 0.0339 2.19 1.6207 0.7385 1507719 IFLab1_000318 CCOc1cccc2sc(NC(=O)c3ccccc3F)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O11 compound treatment 0.385 -0.00728 -0.27 0.375 0.00688 0.44 0.1255 0.2418 1262170 IFLab1_000319 O=C(N=c1[nH]c(cs1)c2ccccc2)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O12 compound treatment 0.396 0.00372 0.14 0.381 0.0129 0.83 0.6857 0.8122 1442046 IFLab1_000320 Clc1ccc2nc(nc(c3ccccc3)c2c1)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O13 compound treatment 0.39 -0.00228 -0.08 0.388 0.0199 1.29 0.8502 0.6597 2065997 IFLab1_000321 OC(=O)CCCNc1ccccc1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O14 compound treatment 0.391 -0.00128 -0.05 0.389 0.0209 1.35 0.9219 0.6821 1508834 IFLab1_000322 Cc1ccc(C)c(NCC(O)c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O15 compound treatment 0.402 0.00972 0.36 0.382 0.0139 0.9 0.8873 0.9183 2065998 IFLab1_000323 COC(=O)CNC(c1ccccc1)c2cc(C)ccc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O16 compound treatment 0.401 0.00872 0.32 0.396 0.0279 1.8 1.5019 0.8198 2065999 IFLab1_000324 C(c1nnc2CCCCCn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O17 compound treatment 0.397 0.00472 0.17 0.385 0.0169 1.09 0.8947 0.8092 2066000 IFLab1_000325 CC(C)c1nnc(NC(=O)C(C)(C)C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O18 compound treatment 0.406 0.0137 0.5 0.398 0.0299 1.93 1.7233 0.8626 1270129 IFLab1_000326 CCOC(=O)c1sc(N)nc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O19 compound treatment 0.387 -0.00528 -0.19 0.383 0.0149 0.96 0.5435 0.5535 1513067 IFLab1_000327 COc1cc(cc(OC)c1OC)C(=O)N=c2[nH]c3ccc(C)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O20 compound treatment 0.392 -2.81E-4 -0.01 0.386 0.0179 1.16 0.8106 0.7008 1260925 IFLab1_000328 CC(=O)N1CC(=O)Nc2ccc(C)cc2C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O21 compound treatment 0.395 0.00272 0.1 0.379 0.0109 0.7 0.5682 0.7994 1197138 IFLab1_000329 COc1cc2ccccc2cc1C(=O)Nc3ccc(F)cc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O22 compound treatment 0.4 0.00772 0.28 0.385 0.0169 1.09 0.9726 0.8621 1016782 IFLab1_000330 C1CCN(CC1)c2ncnc3[nH]cnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O23 mock treatment 0.394 0.00172 0.06 0.373 0.00488 0.32 0.2677 0.8321 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 O24 mock treatment 0.381 -0.0113 -0.41 0.366 -0.00212 -0.14 -0.3902 -0.8939 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P01 compound treatment 0.397 0.00472 0.17 0.364 -0.00412 -0.27 -0.0662 -0.2081 2066001 IFLab1_000331 CN(C)c1oc(nc1C#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P02 compound treatment 0.394 0.00172 0.06 0.383 0.0149 0.96 0.7253 0.7519 1010311 IFLab1_000332 C(N1CCN(Cc2ccccc2)CC1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P03 compound treatment 0.399 0.00672 0.25 0.397 0.0289 1.87 1.4957 0.7936 1170580 IFLab1_000333 CN(C)c1oc(C)nc1S(=O)(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P04 compound treatment 0.395 0.00272 0.1 0.385 0.0169 1.09 0.8428 0.7685 2066002 IFLab1_000334 OC(COCCC1(CC2CC3CC(C2)C1)C3)CN4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P05 compound treatment 0.403 0.0107 0.39 0.393 0.0249 1.61 1.4166 0.8548 2066003 IFLab1_000335 COc1ccc(NC2=NCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P06 compound treatment 0.392 -2.81E-4 -0.01 0.387 0.0189 1.22 0.8564 0.7011 2066004 IFLab1_000336 CCc1ccc(OC(=O)c2ccc(Br)o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P07 compound treatment 0.399 0.00672 0.25 0.396 0.0279 1.8 1.45 0.7964 1422847 IFLab1_000337 O=S1(=O)CC(Nc2ccccc2)C=C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P08 compound treatment 0.393 7.19E-4 0.03 0.388 0.0199 1.29 0.9281 0.7215 2066005 IFLab1_000338 CCOC(=O)c1csc(NC(=O)C)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P09 compound treatment 0.399 0.00672 0.25 0.393 0.0249 1.61 1.3127 0.8061 1101861 IFLab1_000339 FC(F)(F)C(=O)NC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P10 compound treatment 0.397 0.00472 0.17 0.39 0.0219 1.42 1.1235 0.7878 1587082 IFLab1_000340 CCN(CC)S(=O)(=O)c1ccc(cc1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P11 compound treatment 0.405 0.0127 0.47 0.388 0.0199 1.29 1.2397 0.906 1046807 IFLab1_000341 OC(=O)CNc1ccccc1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P12 compound treatment 0.392 -2.81E-4 -0.01 0.387 0.0189 1.22 0.8564 0.7011 1308973 IFLab1_000342 CC(C)(C)C(=O)NC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P13 compound treatment 0.402 0.00972 0.36 0.393 0.0249 1.61 1.3906 0.8434 2066006 IFLab1_000343 OC(=O)/C=C/C(=O)Nc1ccc(cc1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P14 compound treatment 0.391 -0.00128 -0.05 0.386 0.0179 1.16 0.7847 0.6778 2066007 IFLab1_000344 O/C(=N\c1ccccc1)/Nc2ccc(Cl)c(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P15 compound treatment 0.4 0.00772 0.28 0.397 0.0289 1.87 1.5217 0.8052 1578265 IFLab1_000345 OC(=O)C1CC2CC3CC(C2)CC1(O)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P16 compound treatment 0.392 -2.81E-4 -0.01 0.392 0.0239 1.54 1.0852 0.7024 1712628 IFLab1_000346 Brc1ccc(OCC(=O)OC2CCS(=O)(=O)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P17 compound treatment 0.405 0.0127 0.47 0.393 0.0249 1.61 1.4685 0.8761 2066008 IFLab1_000347 NC(=O)C1(CC2CC3CC(Cl)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P18 compound treatment 0.388 -0.00428 -0.16 0.393 0.0249 1.61 1.0271 0.635 2066009 IFLab1_000348 Cc1ccc(cc1)C(=O)N/C(=C/c2ccco2)/C(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P19 compound treatment 0.399 0.00672 0.25 0.395 0.0269 1.74 1.4042 0.7994 1547979 IFLab1_000349 Nc1ccccc1c2nc3cc4ccccc4cc3[nH]c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P20 compound treatment 0.397 0.00472 0.17 0.391 0.0229 1.48 1.1692 0.7845 2066010 IFLab1_000350 CC1CCN(CC1)C(=O)/C(=C\c2ccccc2)/NC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P21 compound treatment 0.395 0.00272 0.1 0.39 0.0219 1.42 1.0716 0.7551 2066011 IFLab1_000351 COc1ccc(/N=C/2\CCCCCN2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P22 compound treatment 0.388 -0.00428 -0.16 0.387 0.0189 1.22 0.7525 0.6111 2066012 IFLab1_000352 CC1(C)C(C=C(Cl)Cl)C1C(=O)NC2CCS(=O)(=O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P23 mock treatment 0.393 7.19E-4 0.03 0.389 0.0209 1.35 0.9739 0.7208 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1412 P24 mock treatment 0.39 -0.00228 -0.08 0.365 -0.00312 -0.2 -0.2022 -0.9239 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A01 compound treatment 0.361 -0.0304 -1.12 0.37 -0.0235 -1.52 -1.8648 -0.9883 2066013 IFLab1_000353 CC1(C)C(C=C(Cl)Cl)C1C(=O)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A02 compound treatment 0.383 -0.00837 -0.31 0.389 -0.00452 -0.29 -0.4241 -0.9997 1254934 IFLab1_000354 COc1cccc(OCC(=O)Oc2ccc(C#N)cc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A03 compound treatment 0.383 -0.00837 -0.31 0.39 -0.00352 -0.23 -0.3784 -0.989 2066014 IFLab1_000355 Cc1cc(C)nc(SCc2nc3ncccn3c2Br)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A04 compound treatment 0.381 -0.0104 -0.38 0.38 -0.0135 -0.87 -0.8879 -0.9307 2066015 IFLab1_000356 N=C1NC(=O)C(CC(=O)NCc2ccccc2)S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A05 compound treatment 0.384 -0.00737 -0.27 0.389 -0.00452 -0.29 -0.3982 -0.9993 1318533 IFLab1_000357 Nc1nc(cs1)c2ccc(Oc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A06 compound treatment 0.389 -0.00237 -0.09 0.389 -0.00452 -0.29 -0.2683 -0.8798 2066016 IFLab1_000358 Cc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A07 compound treatment 0.386 -0.00537 -0.2 0.388 -0.00552 -0.36 -0.392 -0.961 1556775 IFLab1_000359 COc1ccc2oc(=O)c(cc2c1)c3csc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A08 compound treatment 0.387 -0.00437 -0.16 0.379 -0.0145 -0.94 -0.7778 -0.8162 1685499 IFLab1_000360 Cc1cccc2nc(COc3ccc(Cl)cc3)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A09 compound treatment 0.394 0.00263 0.1 0.392 -0.00152 -0.1 -0.0012 -0.0088 1644755 IFLab1_000361 Cc1ccn2cc(nc2c1)c3cc4ccccc4oc3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A10 compound treatment 0.413 0.0216 0.79 0.412 0.0185 1.2 1.4073 0.9802 1919680 IFLab1_000362 O/N=C/c1ccc(o1)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A11 compound treatment 0.384 -0.00737 -0.27 0.385 -0.00852 -0.55 -0.5812 -0.9465 1663537 IFLab1_000363 CCN(CC)CC(O)COc1ccc(OC)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A12 compound treatment 0.401 0.00963 0.35 0.396 0.00248 0.16 0.3636 0.9364 2066017 IFLab1_000364 Cc1cc(C)nc(SCNC(=O)c2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A13 compound treatment 0.379 -0.0124 -0.45 0.385 -0.00852 -0.55 -0.711 -0.9954 1576829 IFLab1_000365 CC(C)NCC(O)COc1ccc(cc1)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A14 compound treatment 0.364 -0.0274 -1.01 0.383 -0.0105 -0.68 -1.192 -0.9819 1710436 IFLab1_000366 CC1(C)CC(=O)c2sc(NC(=O)c3cccs3)nc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A15 compound treatment 0.377 -0.0144 -0.53 0.377 -0.0165 -1.07 -1.129 -0.9471 1232209 IFLab1_000367 COc1ccc(Cc2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A16 compound treatment 0.389 -0.00237 -0.09 0.385 -0.00852 -0.55 -0.4514 -0.8089 2066018 IFLab1_000368 CCOC(=O)CSc1nc(C)cc(O)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A17 compound treatment 0.382 -0.00937 -0.34 0.387 -0.00652 -0.42 -0.5416 -0.9949 2066019 IFLab1_000369 FC(F)(F)C(=O)NC(=O)Oc1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A18 compound treatment 0.394 0.00263 0.1 0.396 0.00248 0.16 0.1818 0.9701 2066020 IFLab1_000370 COc1ccc(cc1)c2cc(C)nc(SCC(=O)Nc3ccccc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A19 compound treatment 0.392 6.25E-4 0.02 0.391 -0.00252 -0.16 -0.0989 -0.6015 1116045 IFLab1_000371 CC(=O)NC1(CCCCC1)C2CCCCC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A20 compound treatment 0.456 0.0646 2.37 0.462 0.0685 4.43 4.8118 0.9572 1391769 IFLab1_000372 Clc1ccccc1C(=O)Nc2nc(=S)ss2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A21 compound treatment 0.391 -3.75E-4 -0.01 0.377 -0.0165 -1.07 -0.7655 -0.7162 1482648 IFLab1_000373 CC1CCc2sc(NC(=O)c3cccs3)c(C#N)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A22 compound treatment 0.385 -0.00637 -0.23 0.391 -0.00252 -0.16 -0.2807 -0.9843 1082368 IFLab1_000374 NC(=N)SC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A23 mock treatment 0.38 -0.0114 -0.42 0.379 -0.0145 -0.94 -0.9596 -0.9334 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 A24 mock treatment 0.373 -0.0184 -0.67 0.362 -0.0315 -2.04 -1.9193 -0.8934 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B01 compound treatment 0.403 0.0116 0.43 0.404 0.0105 0.68 0.7816 0.9751 1400599 IFLab1_000375 COc1ccc(c2nnc(NC(=O)c3ccccc3C)s2)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B02 compound treatment 0.499 0.108 3.95 0.498 0.104 6.76 7.5756 0.9673 1655412 IFLab1_000376 CC(C)Oc1ccc(c2n[nH]cc2c3ccc(F)cc3)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B03 compound treatment 0.401 0.00963 0.35 0.41 0.0165 1.07 1.0042 0.8936 1427798 IFLab1_000377 O=c1oc2ccccc2cc1c3nc4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B04 compound treatment 0.404 0.0126 0.46 0.403 0.00948 0.61 0.7618 0.9904 2066021 IFLab1_000378 COc1ccc2c(=O)c(coc2c1)c3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B05 compound treatment 0.403 0.0116 0.43 0.41 0.0165 1.07 1.0561 0.9192 1264650 IFLab1_000379 CCc1ccc(cc1)S(=O)(=O)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B06 compound treatment 0.34 -0.0514 -1.89 0.346 -0.0475 -3.07 -3.5083 -0.9725 1357504 IFLab1_000380 CCCCc1cc(C(=O)Cc2ccccn2)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B07 compound treatment 0.395 0.00363 0.13 0.398 0.00448 0.29 0.2993 0.9376 1595739 IFLab1_000381 CCc1ccc(cc1)S(=O)(=O)Nc2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B08 compound treatment 0.482 0.0906 3.33 0.473 0.0795 5.14 5.9902 0.9778 1475722 IFLab1_000382 CCc1cc2c(=O)c(coc2cc1O)c3cscn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B09 compound treatment 0.416 0.0246 0.9 0.422 0.0285 1.84 1.9428 0.9463 1674860 IFLab1_000383 COC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccc(OCc3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B10 compound treatment 0.412 0.0206 0.76 0.403 0.00948 0.61 0.9695 0.9946 1245387 IFLab1_000384 CCc1cc2c(=O)c(coc2cc1O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B11 compound treatment 0.394 0.00263 0.1 0.387 -0.00652 -0.42 -0.23 -0.5317 2066022 IFLab1_000385 CC1C(=C(N)OC2=C1C(=O)CC(C2)c3ccccc3)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B12 compound treatment 0.404 0.0126 0.46 0.409 0.0155 1.0 1.0363 0.9387 1618011 IFLab1_000386 CCCc1cc2c(=O)c(c(C)oc2cc1OC(=O)C)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B13 compound treatment 0.412 0.0206 0.76 0.434 0.0405 2.62 2.388 0.8757 2066023 IFLab1_000387 Clc1ccc(s1)C(=O)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B14 compound treatment 0.397 0.00563 0.21 0.416 0.0225 1.45 1.1749 0.7995 1478672 IFLab1_000388 Oc1ccc2c(=O)c(coc2c1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B15 compound treatment 0.406 0.0146 0.54 0.392 -0.00152 -0.1 0.3104 0.5685 1196124 IFLab1_000389 Cc1cc(O)cc2occ(c3cnn(c3)c4ccccc4)c(=O)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B16 compound treatment 0.413 0.0216 0.79 0.41 0.0165 1.07 1.3158 0.9894 1450229 IFLab1_000390 O=C(Nc1ncc(Cc2ccccc2)s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B17 compound treatment 0.412 0.0206 0.76 0.415 0.0215 1.39 1.5186 0.9592 1597678 IFLab1_000391 Clc1cc(CC#N)c2OCOCc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B18 compound treatment 0.412 0.0206 0.76 0.415 0.0215 1.39 1.5186 0.9592 2066024 IFLab1_000392 O=C/1Nc2ccccc2\C1=C/3\SC(=S)N(C3=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B19 compound treatment 0.398 0.00663 0.24 0.394 4.84E-4 0.03 0.1942 0.7916 1462039 IFLab1_000393 CCCc1cc2c(=O)c(coc2cc1O)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B20 compound treatment 0.495 0.104 3.81 0.471 0.0775 5.01 6.2363 0.9907 2066025 IFLab1_000394 OC(=O)CCCN1C(=O)/C(=C/c2ccccc2C(=O)O)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B21 compound treatment 0.435 0.0436 1.6 0.427 0.0335 2.17 2.6649 0.989 1219702 IFLab1_000395 Oc1ccc2c(=O)c(coc2c1)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B22 compound treatment 0.397 0.00563 0.21 0.394 4.84E-4 0.03 0.1682 0.8051 2066026 IFLab1_000396 CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccccc2)/C1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B23 mock treatment 0.4 0.00863 0.32 0.402 0.00848 0.55 0.6122 0.9658 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 B24 mock treatment 0.391 -3.75E-4 -0.01 0.396 0.00248 0.16 0.1039 0.6442 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C01 compound treatment 0.37 -0.0214 -0.78 0.387 -0.00652 -0.42 -0.8532 -0.9575 2066027 IFLab1_000397 CC1(C)C(C=C(Cl)Cl)C1C(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C02 compound treatment 0.375 -0.0164 -0.6 0.381 -0.0125 -0.81 -0.9979 -0.9893 1281656 IFLab1_000398 COc1cccc(OCC(=O)NCc2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C03 compound treatment 0.38 -0.0114 -0.42 0.379 -0.0145 -0.94 -0.9596 -0.9334 1574522 IFLab1_000399 Cc1cc(C)n2cc(CSc3nc4ccccc4[nH]3)nc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C04 compound treatment 0.379 -0.0124 -0.45 0.385 -0.00852 -0.55 -0.711 -0.9954 1122062 IFLab1_000400 O=C(Cc1ccccc1)Nc2ccc(cc2)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C05 compound treatment 0.375 -0.0164 -0.6 0.382 -0.0115 -0.75 -0.9522 -0.9943 1458550 IFLab1_000401 CC(NC(=O)C1(CC2CC3C1)CC(C2)(C3)c4ccc(C)cc4)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C06 compound treatment 0.393 0.00163 0.06 0.39 -0.00352 -0.23 -0.1187 -0.5046 2066028 IFLab1_000402 Brc1ccc(s1)C(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C07 compound treatment 0.384 -0.00737 -0.27 0.38 -0.0135 -0.87 -0.81 -0.8846 1569865 IFLab1_000403 Brc1ccc2oc(=O)c(cc2c1)c3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C08 compound treatment 0.387 -0.00437 -0.16 0.386 -0.00752 -0.49 -0.4575 -0.8932 2066029 IFLab1_000404 O=C(OCc1nc2ccccc2s1)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C09 compound treatment 0.464 0.0726 2.67 0.463 0.0695 4.5 5.0653 0.9689 2066030 IFLab1_000405 c1csc(c1)c2cc3ccccn3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C10 compound treatment 0.383 -0.00837 -0.31 0.378 -0.0155 -1.0 -0.9275 -0.8832 1576056 IFLab1_000406 OC(NC(=O)c1ccco1)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C11 compound treatment 0.375 -0.0164 -0.6 0.376 -0.0175 -1.13 -1.2267 -0.956 1540776 IFLab1_000407 CCCc1ccc(OCC(O)CN2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C12 compound treatment 0.391 -3.75E-4 -0.01 0.398 0.00448 0.29 0.1954 0.6728 1916230 IFLab1_000408 CC(C)(C)C(=O)NC(=C(Cl)Cl)Sc1nccc(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C13 compound treatment 0.38 -0.0114 -0.42 0.388 -0.00552 -0.36 -0.5478 -0.9969 1373755 IFLab1_000409 CCC(=O)NCC(=O)Nc1ccc(Br)cc1C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C14 compound treatment 0.381 -0.0104 -0.38 0.371 -0.0225 -1.46 -1.2997 -0.863 2066031 IFLab1_000410 CSc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C15 compound treatment 0.377 -0.0144 -0.53 0.382 -0.0115 -0.75 -0.9002 -0.9857 1983522 IFLab1_000411 CC(C)C(=O)c1ccc(OCCOc2ccc(C#N)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C16 compound treatment 0.493 0.102 3.73 0.47 0.0765 4.95 6.1386 0.9903 2066032 IFLab1_000412 O=C(CSc1ncnc2ccccc12)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C17 compound treatment 0.435 0.0436 1.6 0.43 0.0365 2.36 2.8022 0.9822 1156224 IFLab1_000413 CCOC(=O)Cn1c(=O)c(nc2ccccc12)c3ccccc3N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C18 compound treatment 0.394 0.00263 0.1 0.391 -0.00252 -0.16 -0.047 -0.2482 1591580 IFLab1_000414 Cc1cc(nc(SCC(=O)N2CCCC2)n1)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C19 compound treatment 0.643 0.252 9.24 0.632 0.238 15.43 17.4464 0.9699 2066033 IFLab1_000415 CCOc1cc(/C=C\2/SC(=S)NC2=O)cc(Br)c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C20 compound treatment 0.393 0.00163 0.06 0.387 -0.00652 -0.42 -0.256 -0.6011 1222761 IFLab1_000416 CCOC(=O)c1sc2nc(C)c(C)c(C)c2c1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C21 compound treatment 0.385 -0.00637 -0.23 0.381 -0.0125 -0.81 -0.7383 -0.8756 2066034 IFLab1_000417 COc1ccc(cc1)N2C(c3ccccc3)C(F)(F)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C22 compound treatment 0.379 -0.0124 -0.45 0.38 -0.0135 -0.87 -0.9398 -0.9535 2066035 IFLab1_000418 C1CSC(=NC1)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C23 mock treatment 0.374 -0.0174 -0.64 0.374 -0.0195 -1.26 -1.3442 -0.95 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 C24 mock treatment 0.382 -0.00937 -0.34 0.376 -0.0175 -1.13 -1.0449 -0.8821 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D01 compound treatment 0.399 0.00763 0.28 0.404 0.0105 0.68 0.6777 0.9234 1429941 IFLab1_000419 Cc1ccccc1c2nnc(NC(=O)c3ccccc3Cl)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D02 compound treatment 0.392 6.25E-4 0.02 0.39 -0.00352 -0.23 -0.1447 -0.6326 1174306 IFLab1_000420 Oc1ccc(C(=O)Cc2cscn2)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D03 compound treatment 0.403 0.0116 0.43 0.394 4.84E-4 0.03 0.324 0.7569 1207536 IFLab1_000421 Brc1ccc2oc(=O)c(cc2c1)c3nnc(o3)c4ccncc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D04 compound treatment 0.413 0.0216 0.79 0.386 -0.00752 -0.49 0.2176 0.2337 2066036 IFLab1_000422 Oc1ccc2c(=O)c(coc2c1)c3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D05 compound treatment 0.403 0.0116 0.43 0.394 4.84E-4 0.03 0.324 0.7569 1494557 IFLab1_000423 O=S(=O)(CCc1ccccc1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D06 compound treatment 0.468 0.0766 2.81 0.453 0.0595 3.85 4.7115 0.9881 1550716 IFLab1_000424 Cc1cc(O)c(C(=O)Cc2ccccn2)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D07 compound treatment 0.407 0.0156 0.57 0.406 0.0125 0.81 0.977 0.986 1383245 IFLab1_000425 CC(=O)Nc1ccc(OC(=O)Cc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D08 compound treatment 0.418 0.0266 0.98 0.406 0.0125 0.81 1.2626 0.9955 1138627 IFLab1_000426 CCOc1ccc2oc(c(N)c(=O)c2c1)c3cc(Br)cc4COCOc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D09 compound treatment 0.394 0.00263 0.1 0.397 0.00348 0.23 0.2276 0.9282 1469300 IFLab1_000427 NC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D10 compound treatment 0.385 -0.00637 -0.23 0.386 -0.00752 -0.49 -0.5095 -0.9438 1217608 IFLab1_000428 CN(C)Cc1c(O)ccc2c(=O)c(coc12)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D11 compound treatment 0.397 0.00563 0.21 0.4 0.00648 0.42 0.4428 0.9467 2066037 IFLab1_000429 NC1=C(C#N)C(C2CCCCC2)C3=C(CCCC3=O)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D12 compound treatment 0.396 0.00463 0.17 0.379 -0.0145 -0.94 -0.5441 -0.57 1346635 IFLab1_000430 CCCc1cc2c(=O)c(coc2cc1O)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D13 compound treatment 0.393 0.00163 0.06 0.404 0.0105 0.68 0.5219 0.7663 2066038 IFLab1_000431 CC(C)(C)c1csc(NC(=O)c2ccc(F)cc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D14 compound treatment 0.382 -0.00937 -0.34 0.373 -0.0205 -1.33 -1.1822 -0.862 2066039 IFLab1_000432 CCOC(=O)c1cc2cc(ccc2o1)c3c(C)oc4cc(O)ccc4c3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D15 compound treatment 0.348 -0.0434 -1.59 0.343 -0.0505 -3.27 -3.4378 -0.9454 2066040 IFLab1_000433 Cc1cc(O)cc2oc(c(c3cnn(c3)c4ccccc4)c(=O)c12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D16 compound treatment 0.464 0.0726 2.67 0.453 0.0595 3.85 4.6077 0.9839 1123607 IFLab1_000434 Clc1ccccc1Cc2cnc(NC(=O)c3ccco3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D17 compound treatment 0.412 0.0206 0.76 0.436 0.0425 2.75 2.4795 0.8695 1602403 IFLab1_000435 CC(=O)Oc1ccc2c(=O)c(coc2c1)c3nc4ccccc4n3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D18 compound treatment 0.626 0.235 8.62 0.401 0.00748 0.48 6.4348 0.7457 2066041 IFLab1_000436 COc1ccc(/C=C/2\SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D19 compound treatment 0.356 -0.0354 -1.3 0.354 -0.0395 -2.56 -2.7267 -0.9507 1341629 IFLab1_000437 CCc1oc2cc(O)ccc2c(=O)c1c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D20 compound treatment 0.413 0.0216 0.79 0.411 0.0175 1.13 1.3616 0.985 2066042 IFLab1_000438 CCOC(=O)CN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D21 compound treatment 0.366 -0.0254 -0.93 0.363 -0.0305 -1.97 -2.0553 -0.9412 1159801 IFLab1_000439 Oc1cc(O)c2c(=O)c(coc2c1)c3ccccc3F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D22 compound treatment 0.393 0.00163 0.06 0.396 0.00248 0.16 0.1559 0.909 2066043 IFLab1_000440 C=CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D23 mock treatment 0.397 0.00563 0.21 0.392 -0.00152 -0.1 0.0767 0.3353 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 D24 mock treatment 0.392 6.25E-4 0.02 0.391 -0.00252 -0.16 -0.0989 -0.6015 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E01 compound treatment 0.396 0.00463 0.17 0.401 0.00748 0.48 0.4625 0.9013 2066044 IFLab1_000441 Cc1csc2nc(CSc3nc(C)cc(C)n3)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E02 compound treatment 0.405 0.0136 0.5 0.407 0.0135 0.87 0.9708 0.9652 1246562 IFLab1_000442 O=C(COc1ccc(Oc2ccccc2)cc1)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E03 compound treatment 0.401 0.00963 0.35 0.402 0.00848 0.55 0.6381 0.9773 2066045 IFLab1_000443 Cc1ccc(SCc2cn3c(C)cc(C)nc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E04 compound treatment 0.401 0.00963 0.35 0.405 0.0115 0.74 0.7754 0.9423 2066046 IFLab1_000444 FC(F)(F)C(=C(C#N)C#N)N=C(c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E05 compound treatment 0.407 0.0156 0.57 0.401 0.00748 0.48 0.7482 0.9964 1184496 IFLab1_000445 Clc1cccc(c1)C(=O)NC2C3CC4CC(C3)CC2C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E06 compound treatment 0.399 0.00763 0.28 0.397 0.00348 0.23 0.3574 0.9942 1560446 IFLab1_000446 C(c1cn2ccccc2n1)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E07 compound treatment 0.407 0.0156 0.57 0.403 0.00948 0.61 0.8397 0.9994 1582829 IFLab1_000447 Clc1ccc2oc(=O)c(cc2c1)c3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E08 compound treatment 0.411 0.0196 0.72 0.417 0.0235 1.52 1.5842 0.9419 1165519 IFLab1_000448 CCC(=O)Nc1nc2cc3nc(NC(=O)CC)sc3cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E09 compound treatment 0.397 0.00563 0.21 0.401 0.00748 0.48 0.4885 0.9278 1479599 IFLab1_000449 Cc1ccc(C)c(c1)c2csc(=N)[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E10 compound treatment 0.402 0.0106 0.39 0.408 0.0145 0.94 0.9386 0.9246 1301225 IFLab1_000450 Clc1ccc(cc1)C(=O)Nc2c(nc3ncccn23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E11 compound treatment 0.401 0.00963 0.35 0.397 0.00348 0.23 0.4093 0.9764 1516084 IFLab1_000451 CCCc1ccc(OCC(O)CN2CCN(C)CC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E12 compound treatment 0.419 0.0276 1.01 0.425 0.0315 2.04 2.158 0.9482 2066047 IFLab1_000452 O=C(NC(Sc1ccncn1)C(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E13 compound treatment 0.399 0.00763 0.28 0.406 0.0125 0.81 0.7692 0.8997 2066048 IFLab1_000453 COC(=O)c1coc(n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E14 compound treatment 0.475 0.0836 3.07 0.468 0.0745 4.82 5.5797 0.9763 2066049 IFLab1_000454 Clc1ccc(s1)C(=O)Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E15 compound treatment 0.411 0.0196 0.72 0.405 0.0115 0.74 1.0351 0.9999 1360834 IFLab1_000455 OC(=O)c1ccc(cc1)S(=O)(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E16 compound treatment 0.404 0.0126 0.46 0.407 0.0135 0.87 0.9448 0.9562 1103986 IFLab1_000456 Cc1cc(O)nc(SCC(=O)c2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E17 compound treatment 0.418 0.0266 0.98 0.406 0.0125 0.81 1.2626 0.9955 1437896 IFLab1_000457 COc1cc(cc(OC)c1OC)c2onc3ccc(Cl)cc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E18 compound treatment 0.413 0.0216 0.79 0.406 0.0125 0.81 1.1328 1.0 1591585 IFLab1_000458 Cc1cc(O)nc(SCC(=O)N2CCCC2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E19 compound treatment 0.404 0.0126 0.46 0.397 0.00348 0.23 0.4872 0.9451 1297146 IFLab1_000459 CN(C)CCOC(=O)c1ccccc1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E20 compound treatment 0.486 0.0946 3.47 0.455 0.0615 3.98 5.2705 0.9977 1560447 IFLab1_000460 CCCSC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2OC)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E21 compound treatment 0.403 0.0116 0.43 0.402 0.00848 0.55 0.6901 0.9923 2066050 IFLab1_000461 COc1ccc(NC(c2ccccc2)C(F)(F)CO)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E22 compound treatment 0.396 0.00463 0.17 0.41 0.0165 1.07 0.8744 0.8095 2066051 IFLab1_000462 CC(=O)Nc1nnc(s1)c2ccccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E23 mock treatment 0.393 0.00163 0.06 0.399 0.00548 0.35 0.2931 0.8146 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 E24 mock treatment 0.399 0.00763 0.28 0.402 0.00848 0.55 0.5862 0.9512 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F01 compound treatment 0.402 0.0106 0.39 0.404 0.0105 0.68 0.7556 0.9655 1349364 IFLab1_000463 COc1cccc(c1)C(=O)Nc2nnc(s2)c3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F02 compound treatment 0.4 0.00863 0.32 0.403 0.00948 0.61 0.6579 0.9526 3176014 IFLab1_000464 CC[n+]1c(C)scc1c2c(C)oc3cc(O)ccc3c2=O.Cc1ccc(cc1)S(=O)(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F03 compound treatment 0.412 0.0206 0.76 0.405 0.0115 0.74 1.061 1.0 2066053 IFLab1_000465 C/C=C/c1n(C)c2ccccc2[n+]1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F04 compound treatment 0.412 0.0206 0.76 0.403 0.00948 0.61 0.9695 0.9946 1255057 IFLab1_000466 O=C1CC(Oc2ccccc12)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F05 compound treatment 0.406 0.0146 0.54 0.409 0.0155 1.0 1.0883 0.9573 1043657 IFLab1_000467 Clc1ccccc1NS(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F06 compound treatment 0.418 0.0266 0.98 0.416 0.0225 1.45 1.7202 0.9813 2066054 IFLab1_000468 O=c1c(coc2ccccc12)c3cc4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F07 compound treatment 0.418 0.0266 0.98 0.417 0.0235 1.52 1.7659 0.9773 1587529 IFLab1_000469 Fc1ccc(cc1)C(=O)Nc2cccc(OC(=O)c3ccc(F)cc3)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F08 compound treatment 0.406 0.0146 0.54 0.4 0.00648 0.42 0.6764 0.9925 1289161 IFLab1_000470 Cc1nc(cs1)c2c[nH]nc2c3ccc(O)c(C)c3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F09 compound treatment 0.411 0.0196 0.72 0.403 0.00948 0.61 0.9436 0.9968 1137982 IFLab1_000471 CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F10 compound treatment 0.626 0.235 8.62 0.632 0.238 15.43 17.0049 0.9621 1540974 IFLab1_000472 CCc1cc(c2n[nH]cc2c3ccc(Br)cc3)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F11 compound treatment 0.432 0.0406 1.49 0.422 0.0285 1.84 2.3583 0.9945 1724075 IFLab1_000473 COc1ccc(cc1OC)c2csc(NC(=O)Cc3ccccc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F12 compound treatment 0.404 0.0126 0.46 0.412 0.0185 1.2 1.1736 0.9149 1126855 IFLab1_000474 CCCc1cc2c(=O)c(coc2cc1OC(=O)C)c3nc(C)cs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F13 compound treatment 0.409 0.0176 0.65 0.415 0.0215 1.39 1.4407 0.9395 1606685 IFLab1_000475 COc1ccc(cc1)C(=O)Nc2nc(cs2)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F14 compound treatment 0.414 0.0226 0.83 0.409 0.0155 1.0 1.296 0.9957 1695634 IFLab1_000476 CCOC(=O)c1ccc(o1)c2coc3cc(OC)c(CC)cc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F15 compound treatment 0.431 0.0396 1.46 0.425 0.0315 2.04 2.4696 0.9864 1568951 IFLab1_000477 COc1ccc2c(=O)c(coc2c1)c3cnn(c3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F16 compound treatment 0.411 0.0196 0.72 0.415 0.0215 1.39 1.4927 0.9532 2066055 IFLab1_000478 COc1ccc(CC2SC(=N)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F17 compound treatment 0.366 -0.0254 -0.93 0.367 -0.0265 -1.72 -1.8722 -0.9588 1296030 IFLab1_000479 COc1ccc(c2onc(C)c2c3cscn3)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F18 compound treatment 0.423 0.0316 1.16 0.416 0.0225 1.45 1.85 0.9938 2066056 IFLab1_000480 CN1CCN(CC1)C(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F19 compound treatment 0.414 0.0226 0.83 0.411 0.0175 1.13 1.3875 0.9885 1349453 IFLab1_000481 CCc1cc2c(=O)c(coc2cc1O)c3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F20 compound treatment 0.452 0.0606 2.23 0.428 0.0345 2.23 3.1521 1.0 1922550 IFLab1_000482 CCCOC(=O)CN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F21 compound treatment 0.406 0.0146 0.54 0.412 0.0185 1.2 1.2255 0.9347 2066057 IFLab1_000483 COc1ccc2c(=O)c(c3cscn3)c(oc2c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F22 compound treatment 0.405 0.0136 0.5 0.399 0.00548 0.35 0.6047 0.9858 2066058 IFLab1_000484 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F23 mock treatment 0.396 0.00463 0.17 0.405 0.0115 0.74 0.6456 0.8469 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 F24 mock treatment 0.408 0.0166 0.61 0.402 0.00848 0.55 0.8199 0.9986 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G01 compound treatment 0.39 -0.00137 -0.05 0.398 0.00448 0.29 0.1695 0.5754 2066059 IFLab1_000485 Cc1cc(C)nc(SCc2cn3ccccc3n2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G02 compound treatment 0.493 0.102 3.73 0.495 0.101 6.57 7.2825 0.9641 1415634 IFLab1_000486 CCN(CC)c1ccc2cc(C(=O)N)c(=N)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G03 compound treatment 0.394 0.00263 0.1 0.39 -0.00352 -0.23 -0.0927 -0.3753 2066060 IFLab1_000487 Cc1csc2nc(CSc3ccc(C)cc3)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G04 compound treatment 0.407 0.0156 0.57 0.412 0.0185 1.2 1.2515 0.9434 1136925 IFLab1_000488 CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)cc2F)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G05 compound treatment 0.395 0.00363 0.13 0.396 0.00248 0.16 0.2078 0.9956 2066061 IFLab1_000489 Oc1ccc(cc1)C(CCl)n2cncn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G06 compound treatment 0.455 0.0636 2.34 0.455 0.0615 3.98 4.4655 0.9678 1320990 IFLab1_000490 CCOC(=O)c1coc2c(F)c(F)c(F)cc2c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G07 compound treatment 0.398 0.00663 0.24 0.391 -0.00252 -0.16 0.0569 0.1943 1445944 IFLab1_000491 CCOC(=O)c1cc2cc(Br)ccc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G08 compound treatment 0.434 0.0426 1.57 0.432 0.0385 2.49 2.8678 0.975 1536983 IFLab1_000492 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCO 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G09 compound treatment 0.407 0.0156 0.57 0.4 0.00648 0.42 0.7024 0.9882 1252330 IFLab1_000493 Cc1cc(C)c(c2csc(=N)[nH]2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G10 compound treatment 0.403 0.0116 0.43 0.403 0.00948 0.61 0.7358 0.9843 1284273 IFLab1_000494 COC(=O)Nc1c(nc2ccccn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G11 compound treatment 0.394 0.00263 0.1 0.397 0.00348 0.23 0.2276 0.9282 1474573 IFLab1_000495 CCCc1ccc(OCC(O)CNC(C)(C)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G12 compound treatment 0.428 0.0366 1.34 0.414 0.0205 1.33 1.8883 1.0 2066062 IFLab1_000496 Clc1ccc(s1)c2csc(NC(=O)c3ccco3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G13 compound treatment 0.398 0.00663 0.24 0.414 0.0205 1.33 1.1093 0.8231 1473618 IFLab1_000497 CN(C)c1oc(nc1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G14 compound treatment 0.44 0.0486 1.79 0.453 0.0595 3.85 3.9845 0.939 2066063 IFLab1_000498 CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G15 compound treatment 0.399 0.00763 0.28 0.408 0.0145 0.94 0.8607 0.8799 2066064 IFLab1_000499 COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G16 compound treatment 0.401 0.00963 0.35 0.4 0.00648 0.42 0.5466 0.9964 2066065 IFLab1_000500 NC(=O)CSc1ncnc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G17 compound treatment 0.43 0.0386 1.42 0.423 0.0295 1.91 2.3521 0.9893 2066066 IFLab1_000501 Cc1nn(c2ccccc2)c3sc(C#N)c(N)c13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G18 compound treatment 0.407 0.0156 0.57 0.406 0.0125 0.81 0.977 0.986 1503906 IFLab1_000502 Cc1cc(nc(SCC(=O)N2CCCC2)n1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G19 compound treatment 0.441 0.0496 1.82 0.442 0.0485 3.14 3.5071 0.9666 2066067 IFLab1_000503 O/C(=C(/C#N)\c1nc2ccccc2s1)/C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G20 compound treatment 0.456 0.0646 2.37 0.424 0.0305 1.97 3.073 0.9958 1378607 IFLab1_000504 CSC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G21 compound treatment 0.394 0.00263 0.1 0.395 0.00148 0.1 0.1361 1.0 2066068 IFLab1_000505 NC(c1ccccc1)C(F)(F)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G22 compound treatment 0.395 0.00363 0.13 0.389 -0.00452 -0.29 -0.1125 -0.3504 1248621 IFLab1_000506 CCCCC(=O)Nc1nnc(s1)c2ccc(OC)cc2OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G23 mock treatment 0.393 0.00163 0.06 0.389 -0.00452 -0.29 -0.1645 -0.5513 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 G24 mock treatment 0.394 0.00263 0.1 0.394 4.84E-4 0.03 0.0903 0.891 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H01 compound treatment 0.402 0.0106 0.39 0.402 0.00848 0.55 0.6641 0.986 1478424 IFLab1_000507 COc1ccc(c2nnc(NC(=O)c3cc(C)cc(C)c3)s2)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H02 compound treatment 0.408 0.0166 0.61 0.393 -5.16E-4 -0.03 0.4081 0.6674 1565369 IFLab1_000508 COc1cc(C)c2c(=O)c(coc2c1)c3csc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H03 compound treatment 0.425 0.0336 1.23 0.421 0.0275 1.78 2.1307 0.9841 2066069 IFLab1_000509 NS(=O)(=O)c1ccc(/N=C/2\C(=O)Nc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H04 compound treatment 0.405 0.0136 0.5 0.407 0.0135 0.87 0.9708 0.9652 1213399 IFLab1_000510 CCCc1cc2c(=O)c(coc2cc1OC)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H05 compound treatment 0.401 0.00963 0.35 0.399 0.00548 0.35 0.5009 1.0 2066070 IFLab1_000511 Cc1ccccc1S(=O)(=O)Nc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H06 compound treatment 0.408 0.0166 0.61 0.407 0.0135 0.87 1.0487 0.9847 1422397 IFLab1_000512 CCc1cc2c(=O)c(coc2cc1OC(=O)C)c3cscn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H07 compound treatment 0.411 0.0196 0.72 0.394 4.84E-4 0.03 0.5317 0.7371 1335854 IFLab1_000513 Clc1cccc(c1)C(=O)Oc2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H08 compound treatment 0.431 0.0396 1.46 0.421 0.0275 1.78 2.2865 0.995 2066071 IFLab1_000514 ON=c1cc(oc2ccccc12)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H09 compound treatment 0.52 0.129 4.72 0.533 0.139 9.03 9.7224 0.9544 1578674 IFLab1_000515 O=c1oc2ccccc2cc1c3nc(cs3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H10 compound treatment 0.404 0.0126 0.46 0.396 0.00248 0.16 0.4415 0.8997 1420322 IFLab1_000516 CC(=O)Oc1ccc2c(=O)c(coc2c1)c3csc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H11 compound treatment 0.418 0.0266 0.98 0.418 0.0245 1.58 1.8117 0.9731 2066072 IFLab1_000517 Cc1ccc(cc1)C(=O)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H12 compound treatment 0.376 -0.0154 -0.56 0.372 -0.0215 -1.39 -1.3838 -0.921 2066073 IFLab1_000518 Cc1oc2cc(O)ccc2c(=O)c1c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H13 compound treatment 0.429 0.0376 1.38 0.423 0.0295 1.91 2.3261 0.9874 1211272 IFLab1_000519 CC(C)(C)c1csc(NC(=O)c2ccc(C#N)cc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H14 compound treatment 0.459 0.0676 2.48 0.449 0.0555 3.59 4.2948 0.9838 1661025 IFLab1_000520 CCOC(=O)c1ccc(o1)c2coc3cc(O)c(CC)cc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H15 compound treatment 0.416 0.0246 0.9 0.42 0.0265 1.71 1.8513 0.9554 1247029 IFLab1_000521 COc1ccc(C(=O)Cc2cnn(c2)c3ccccc3)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H16 compound treatment 0.402 0.0106 0.39 0.396 0.00248 0.16 0.3896 0.9231 2066074 IFLab1_000522 Clc1ccccc1CC2S/C(=N/c3ccccc3)/NC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H17 compound treatment 0.441 0.0496 1.82 0.448 0.0545 3.53 3.7817 0.9528 1317931 IFLab1_000523 CCc1cc2c(=O)c(coc2cc1O)c3csc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H18 compound treatment 0.573 0.182 6.67 0.622 0.228 14.79 15.1711 0.9353 2066075 IFLab1_000524 OC(=O)CCCN1C(=O)/C(=C\2/C(=O)Nc3ccccc23)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H19 compound treatment 0.406 0.0146 0.54 0.404 0.0105 0.68 0.8595 0.9933 2066076 IFLab1_000525 Fc1ccc2oc(cc(=O)c2c1)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H20 compound treatment 0.413 0.0216 0.79 0.407 0.0135 0.87 1.1785 0.9989 1922508 IFLab1_000526 O=C(CN1C(=O)/C(=C/c2ccccc2)/SC1=S)OC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H21 compound treatment 0.413 0.0216 0.79 0.401 0.00748 0.48 0.904 0.9719 1486099 IFLab1_000527 Oc1ccc2c(=O)c(coc2c1)c3cscn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H22 compound treatment 0.452 0.0606 2.23 0.449 0.0555 3.59 4.1131 0.9736 2066077 IFLab1_000528 COc1ccc(/C=C/2\SC(=S)N(C2=O)c3ccc(O)cc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H23 mock treatment 0.406 0.0146 0.54 0.39 -0.00352 -0.23 0.2189 0.3752 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 H24 mock treatment 0.392 6.25E-4 0.02 0.401 0.00748 0.48 0.3587 0.7398 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I01 compound treatment 0.399 0.00763 0.28 0.409 0.0155 1.0 0.9065 0.8713 1615739 IFLab1_000529 Cc1ccc(SCc2cn3ccccc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I02 compound treatment 0.413 0.0216 0.79 0.41 0.0165 1.07 1.3158 0.9894 2066078 IFLab1_000530 Oc1ccc2ccccc2c1/C=N/c3ncccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I03 compound treatment 0.401 0.00963 0.35 0.402 0.00848 0.55 0.6381 0.9773 2066079 IFLab1_000531 Cc1ccc(SCc2cn3ccsc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I04 compound treatment 0.419 0.0276 1.01 0.45 0.0565 3.66 3.3019 0.8705 1491476 IFLab1_000532 NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3F)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I05 compound treatment 0.41 0.0186 0.68 0.399 0.00548 0.35 0.7346 0.9533 2066080 IFLab1_000533 NCc1cn2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I06 compound treatment 0.409 0.0176 0.65 0.402 0.00848 0.55 0.8459 0.9966 1263079 IFLab1_000534 COc1ccc(cc1)c2ncc3ccccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I07 compound treatment 0.48 0.0886 3.25 0.472 0.0785 5.08 5.8925 0.9769 1577290 IFLab1_000535 COc1cccc2cc(c3csc(N)n3)c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I08 compound treatment 0.403 0.0116 0.43 0.392 -0.00152 -0.1 0.2325 0.5308 1694764 IFLab1_000536 Clc1ccc(OCc2cn3ccccc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I09 compound treatment 0.408 0.0166 0.61 0.422 0.0285 1.84 1.7351 0.8936 2066081 IFLab1_000537 Fc1cccc(Cl)c1C=c2sc3nc4ccccc4n3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I10 compound treatment 0.415 0.0236 0.87 0.409 0.0155 1.0 1.322 0.9974 1378406 IFLab1_000538 Cc1ccc(cc1)C(=O)Nc2c(nc3scnn23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I11 compound treatment 0.409 0.0176 0.65 0.404 0.0105 0.68 0.9374 0.9997 1527411 IFLab1_000539 CC(C)c1ccc(OCC(O)CN2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I12 compound treatment 0.42 0.0286 1.05 0.414 0.0205 1.33 1.6806 0.9934 1602410 IFLab1_000540 COc1ccc(cc1OC)C(=O)N=c2sc3ccccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I13 compound treatment 0.414 0.0226 0.83 0.408 0.0145 0.94 1.2502 0.9982 2066082 IFLab1_000541 CC(C)C(=O)Nc1nc(cs1)c2ccc(C)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I14 compound treatment 0.46 0.0686 2.52 0.444 0.0505 3.27 4.092 0.9918 1345171 IFLab1_000542 NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I15 compound treatment 0.403 0.0116 0.43 0.4 0.00648 0.42 0.5985 1.0 2066083 IFLab1_000543 C(/N=C/c1ccc2OCOc2c1)c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I16 compound treatment 0.415 0.0236 0.87 0.417 0.0235 1.52 1.688 0.9647 1492342 IFLab1_000544 Cc1nc2ccccc2nc1SCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I17 compound treatment 0.419 0.0276 1.01 0.426 0.0325 2.1 2.2037 0.9442 1660276 IFLab1_000545 Oc1c(C(=O)NCc2ccccc2)c(=O)[nH]c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I18 compound treatment 0.419 0.0276 1.01 0.428 0.0345 2.23 2.2952 0.9363 2066084 IFLab1_000546 Clc1nc2ccccc2nc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I19 compound treatment 0.407 0.0156 0.57 0.406 0.0125 0.81 0.977 0.986 2066085 IFLab1_000547 COc1ccccc1N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I20 compound treatment 0.416 0.0246 0.9 0.411 0.0175 1.13 1.4395 0.9938 2066086 IFLab1_000548 CC1(C)C(C#N)C(=O)NC(=C1C#N)SCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I21 compound treatment 0.399 0.00763 0.28 0.4 0.00648 0.42 0.4947 0.9807 1483937 IFLab1_000549 CC(C)NC(=O)COc1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I22 compound treatment 0.409 0.0176 0.65 0.406 0.0125 0.81 1.0289 0.994 2066087 IFLab1_000550 CCCCC(=O)Nc1nnc(s1)c2c(C)c(C)cc(C)c2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I23 mock treatment 0.402 0.0106 0.39 0.399 0.00548 0.35 0.5268 0.9989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 I24 mock treatment 0.4 0.00863 0.32 0.408 0.0145 0.94 0.8867 0.8963 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J01 compound treatment 0.402 0.0106 0.39 0.401 0.00748 0.48 0.6183 0.9943 1207239 IFLab1_000551 Cc1cc(C)c(c2nnc(NC(=O)c3cccs3)s2)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J02 compound treatment 0.393 0.00163 0.06 0.388 -0.00552 -0.36 -0.2102 -0.5808 1206421 IFLab1_000552 Cc1cc(O)c2c(=O)c(c3cscn3)c(C)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J03 compound treatment 0.393 0.00163 0.06 0.397 0.00348 0.23 0.2016 0.8645 2066088 IFLab1_000553 Oc1c(CC=C)cccc1/C=N/C2=C(CCC2)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J04 compound treatment 0.392 6.25E-4 0.02 0.389 -0.00452 -0.29 -0.1904 -0.6496 1691238 IFLab1_000554 CCCCc1cc2c(=O)c(coc2cc1O)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J05 compound treatment 0.401 0.00963 0.35 0.398 0.00448 0.29 0.4551 0.9952 1088882 IFLab1_000555 Cc1cc(C)c(c(C)c1)S(=O)(=O)n2ccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J06 compound treatment 0.407 0.0156 0.57 0.392 -0.00152 -0.1 0.3364 0.5778 1214890 IFLab1_000556 CCc1cc2c(=O)c(coc2cc1OC)c3cscn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J07 compound treatment 0.404 0.0126 0.46 0.403 0.00948 0.61 0.7618 0.9904 2066089 IFLab1_000557 COc1ccc(cc1)C(=O)CSc2nc(C)cc(C)c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J08 compound treatment 0.415 0.0236 0.87 0.412 0.0185 1.2 1.4592 0.9876 1143247 IFLab1_000558 Cc1ccc(O)c(c1)c2cc([nH]n2)c3ncc(Cl)n3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J09 compound treatment 0.405 0.0136 0.5 0.404 0.0105 0.68 0.8335 0.9888 1200252 IFLab1_000559 CCCSC1=C(C#N)C(CC(=O)N1)c2cc(OC)ccc2OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J10 compound treatment 0.375 -0.0164 -0.6 0.373 -0.0205 -1.33 -1.364 -0.9359 1449786 IFLab1_000560 Oc1ccc(C(=O)Cc2ccc3OCCCOc3c2)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J11 compound treatment 0.4 0.00863 0.32 0.405 0.0115 0.74 0.7494 0.9277 2066090 IFLab1_000561 Brc1cccc(c1)C(=O)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J12 compound treatment 0.398 0.00663 0.24 0.391 -0.00252 -0.16 0.0569 0.1943 1427754 IFLab1_000562 CCCc1cc2c(=O)c(coc2cc1O)c3ccc(o3)C(=O)OCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J13 compound treatment 0.467 0.0756 2.78 0.459 0.0655 4.24 4.9601 0.979 2066091 IFLab1_000563 COC(=O)Nc1ccc(SCC(=O)c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J14 compound treatment 0.47 0.0786 2.89 0.473 0.0795 5.14 5.6786 0.9627 2066092 IFLab1_000564 Clc1ccc(cc1)c2nc(C#N)c(NCc3ccco3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J15 compound treatment 0.406 0.0146 0.54 0.408 0.0145 0.94 1.0425 0.9651 1566339 IFLab1_000565 COc1ccc2c(=O)c(coc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J16 compound treatment 0.397 0.00563 0.21 0.401 0.00748 0.48 0.4885 0.9278 2066093 IFLab1_000566 Clc1ccc(/N=C/2\NC(=O)CS2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J17 compound treatment 0.41 0.0186 0.68 0.415 0.0215 1.39 1.4667 0.9466 1195576 IFLab1_000567 Cn1c(Cl)cnc1C2CC(=O)c3cc(Cl)ccc3O2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J18 compound treatment 0.438 0.0466 1.71 0.437 0.0435 2.81 3.2004 0.9716 1921718 IFLab1_000568 CN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(cc3)C(=O)O)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J19 compound treatment 0.399 0.00763 0.28 0.399 0.00548 0.35 0.4489 0.9931 1611959 IFLab1_000569 COc1ccc2c(=S)c(c3csc(C)n3)c(C)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J20 compound treatment 0.413 0.0216 0.79 0.415 0.0215 1.39 1.5446 0.9647 1922520 IFLab1_000570 COC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J21 compound treatment 0.39 -0.00137 -0.05 0.388 -0.00552 -0.36 -0.2881 -0.7992 2066094 IFLab1_000571 O/N=C(\Cc1cscn1)/c2ccc(O)cc2O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J22 compound treatment 0.445 0.0536 1.97 0.422 0.0285 1.84 2.6958 0.9995 2066095 IFLab1_000572 CN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(O)cc3)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J23 mock treatment 0.391 -3.75E-4 -0.01 0.395 0.00148 0.1 0.0582 0.5996 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 J24 mock treatment 0.391 -3.75E-4 -0.01 0.393 -5.16E-4 -0.03 -0.0334 -0.9233 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K01 compound treatment 0.401 0.00963 0.35 0.401 0.00748 0.48 0.5924 0.988 1409705 IFLab1_000573 C(Sc1nc2ccccc2[nH]1)c3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K02 compound treatment 0.408 0.0166 0.61 0.406 0.0125 0.81 1.0029 0.9905 2066096 IFLab1_000574 CCOc1nc(nc(Cl)c1N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K03 compound treatment 0.399 0.00763 0.28 0.401 0.00748 0.48 0.5404 0.9661 2066097 IFLab1_000575 Cc1cc(C)nc(SCc2nc3sccn3c2Br)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K04 compound treatment 0.435 0.0436 1.6 0.429 0.0355 2.3 2.7565 0.9845 1265730 IFLab1_000576 CCOc1cccc(NC(=O)c2ccc(Br)cc2F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K05 compound treatment 0.406 0.0146 0.54 0.399 0.00548 0.35 0.6307 0.9798 1210575 IFLab1_000577 Cc1ccc(NC(=O)CC#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K06 compound treatment 0.404 0.0126 0.46 0.397 0.00348 0.23 0.4872 0.9451 1382919 IFLab1_000578 CCOc1ccc(NCc2cn3cccnc3n2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K07 compound treatment 0.408 0.0166 0.61 0.389 -0.00452 -0.29 0.225 0.3325 1734743 IFLab1_000579 CC(=O)NC(=O)c1cc2ccccc2oc1=Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K08 compound treatment 0.409 0.0176 0.65 0.407 0.0135 0.87 1.0747 0.9892 1536710 IFLab1_000580 Nc1ccccc1SCc2cn3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K09 compound treatment 0.403 0.0116 0.43 0.401 0.00748 0.48 0.6443 0.998 1018829 IFLab1_000581 O=C(NS(=O)(=O)c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K10 compound treatment 0.401 0.00963 0.35 0.404 0.0105 0.68 0.7296 0.9538 2066098 IFLab1_000582 CC(=O)NCS(=O)(=O)c1ccc(C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K11 compound treatment 0.402 0.0106 0.39 0.399 0.00548 0.35 0.5268 0.9989 1450771 IFLab1_000583 CCc1ccc(OCC(O)CN2CCCCC2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K12 compound treatment 0.465 0.0736 2.7 0.469 0.0755 4.88 5.3658 0.9611 2066099 IFLab1_000584 Cn1c(=NC(=O)/C=C\c2ccccc2)sc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K13 compound treatment 0.41 0.0186 0.68 0.398 0.00448 0.29 0.6888 0.9271 1025093 IFLab1_000585 OC(=O)CC1Sc2ccccc2NC1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K14 compound treatment 0.441 0.0496 1.82 0.435 0.0415 2.68 3.1868 0.9822 2066100 IFLab1_000586 Clc1ccc(s1)C(=O)Nc2nccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K15 compound treatment 0.398 0.00663 0.24 0.401 0.00748 0.48 0.5145 0.9493 1520940 IFLab1_000587 OC(=O)c1ccc(cc1)S(=O)(=O)n2ncc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K16 compound treatment 0.427 0.0356 1.31 0.415 0.0215 1.39 1.9081 0.9995 1739560 IFLab1_000588 Cc1nc2ccccc2nc1SC(C(=O)O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K17 compound treatment 0.429 0.0376 1.38 0.423 0.0295 1.91 2.3261 0.9874 1155994 IFLab1_000589 Cc1cccc(c1)C(=O)Nc2nc(cs2)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K18 compound treatment 0.405 0.0136 0.5 0.403 0.00948 0.61 0.7878 0.9949 2066101 IFLab1_000590 Cc1nnc2c(nc3ccccc3n12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K19 compound treatment 0.398 0.00663 0.24 0.401 0.00748 0.48 0.5145 0.9493 1634249 IFLab1_000591 OC(=O)c1ccc(cc1)S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K20 compound treatment 0.459 0.0676 2.48 0.453 0.0595 3.85 4.4778 0.9775 2066102 IFLab1_000592 Nc1nc(SCc2ccccc2)c(C#N)c(c1C#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K21 compound treatment 0.397 0.00563 0.21 0.408 0.0145 0.94 0.8088 0.8427 1576638 IFLab1_000593 Brc1ccc(OCC(=O)NCc2ccco2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K22 compound treatment 0.407 0.0156 0.57 0.404 0.0105 0.68 0.8854 0.9965 1737940 IFLab1_000594 CC(C)(C)C(=O)Nc1nnc(s1)c2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K23 mock treatment 0.394 0.00263 0.1 0.393 -5.16E-4 -0.03 0.0445 0.4366 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 K24 mock treatment 0.399 0.00763 0.28 0.399 0.00548 0.35 0.4489 0.9931 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L01 compound treatment 0.414 0.0226 0.83 0.408 0.0145 0.94 1.2502 0.9982 1688908 IFLab1_000595 CCOc1ccc(cc1)C(=O)Nc2nnc(s2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L02 compound treatment 0.398 0.00663 0.24 0.399 0.00548 0.35 0.423 0.983 2066103 IFLab1_000596 Brc1ccc2oc(=O)c(cc2c1)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L03 compound treatment 0.41 0.0186 0.68 0.41 0.0165 1.07 1.2379 0.9769 2066104 IFLab1_000597 Oc1ccc2ccccc2c1/C=N/C3=C(CCC3)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L04 compound treatment 0.429 0.0376 1.38 0.447 0.0535 3.46 3.4243 0.9189 1626953 IFLab1_000598 Cc1nc(cs1)c2coc3cc(O)ccc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L05 compound treatment 0.415 0.0236 0.87 0.405 0.0115 0.74 1.1389 0.997 2066105 IFLab1_000599 O=S(=O)(/C=C/c1ccccc1)n2ccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L06 compound treatment 0.415 0.0236 0.87 0.407 0.0135 0.87 1.2305 1.0 1711938 IFLab1_000600 COC(=O)COc1cc2occ(c3csc(C)n3)c(=O)c2cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L07 compound treatment 0.427 0.0356 1.31 0.413 0.0195 1.26 1.8166 0.9998 1481629 IFLab1_000601 CC(C)C1C(=C(N)Oc2c1c(=O)oc3ccccc23)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L08 compound treatment 0.389 -0.00237 -0.09 0.388 -0.00552 -0.36 -0.3141 -0.8547 1513242 IFLab1_000602 COc1ccc(c(O)c1OC)c2ncncc2c3csc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L09 compound treatment 0.422 0.0306 1.12 0.418 0.0245 1.58 1.9156 0.9859 2066106 IFLab1_000603 CC(C)c1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L10 compound treatment 0.371 -0.0204 -0.75 0.366 -0.0275 -1.78 -1.7882 -0.9258 1240381 IFLab1_000604 CCCc1cc(C(=O)Cc2ccc3OCOc3c2)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L11 compound treatment 0.414 0.0226 0.83 0.405 0.0115 0.74 1.113 0.9985 2066107 IFLab1_000605 COc1cc(OC)cc(c1)C(=O)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L12 compound treatment 0.408 0.0166 0.61 0.41 0.0165 1.07 1.186 0.9649 1235291 IFLab1_000606 CCc1cc2c(=O)c(coc2cc1OC)c3ccc4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L13 compound treatment 0.405 0.0136 0.5 0.404 0.0105 0.68 0.8335 0.9888 2066108 IFLab1_000607 Cc1nnc2n(c3ccccc3)c(=O)c4ccccc4n12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L14 compound treatment 0.417 0.0256 0.94 0.412 0.0185 1.2 1.5112 0.993 2066109 IFLab1_000608 NNc1oc(nc1C#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L15 compound treatment 0.386 -0.00537 -0.2 0.392 -0.00152 -0.1 -0.2089 -0.9479 1466966 IFLab1_000609 Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L16 compound treatment 0.453 0.0616 2.26 0.439 0.0455 2.94 3.6814 0.9916 2066110 IFLab1_000610 Cc1sc2nc(SCC=C)[nH]c(=O)c2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L17 compound treatment 0.385 -0.00637 -0.23 0.381 -0.0125 -0.81 -0.7383 -0.8756 1123889 IFLab1_000611 Cc1oc2cc(O)cc(O)c2c(=O)c1c3ccc4OCCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L18 compound treatment 0.408 0.0166 0.61 0.406 0.0125 0.81 1.0029 0.9905 2066111 IFLab1_000612 OC(=O)CN1C(=O)S/C(=C\c2ccc(Br)cc2)/C1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L19 compound treatment 0.402 0.0106 0.39 0.396 0.00248 0.16 0.3896 0.9231 1262600 IFLab1_000613 CCc1cc(C(=O)Cc2c[nH]cn2)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L20 compound treatment 0.414 0.0226 0.83 0.408 0.0145 0.94 1.2502 0.9982 1922147 IFLab1_000614 O=C(CCN1C(=O)/C(=C/c2ccccc2)/SC1=S)OC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L21 compound treatment 0.404 0.0126 0.46 0.398 0.00448 0.29 0.533 0.9745 1139636 IFLab1_000615 COC(=O)c1cc(CC#N)c(C)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L22 compound treatment 0.401 0.00963 0.35 0.398 0.00448 0.29 0.4551 0.9952 1717907 IFLab1_000616 Oc1cccc(c1)N2C(=O)CSC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L23 mock treatment 0.4 0.00863 0.32 0.402 0.00848 0.55 0.6122 0.9658 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 L24 mock treatment 0.398 0.00663 0.24 0.395 0.00148 0.1 0.2399 0.9173 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M01 compound treatment 0.4 0.00863 0.32 0.388 -0.00552 -0.36 -0.0284 -0.0596 2066112 IFLab1_000617 Clc1ccc(SCc2nc3ncccn3c2Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M02 compound treatment 0.392 6.25E-4 0.02 0.394 4.84E-4 0.03 0.0384 0.9883 2066113 IFLab1_000618 Oc1ccc(Br)cc1/C=N/S(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M03 compound treatment 0.422 0.0306 1.12 0.419 0.0255 1.65 1.9613 0.9826 1697044 IFLab1_000619 CC(C)C(=O)Nc1sc2CCCc2c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M04 compound treatment 0.419 0.0276 1.01 0.419 0.0255 1.65 1.8834 0.9728 1176687 IFLab1_000620 CCOc1ccccc1NC(=O)c2ccc(Br)cc2F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M05 compound treatment 0.403 0.0116 0.43 0.399 0.00548 0.35 0.5528 0.9958 2066114 IFLab1_000621 COC(=O)c1cc2ccccc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M06 compound treatment 0.409 0.0176 0.65 0.401 0.00748 0.48 0.8001 0.9898 1630490 IFLab1_000622 Cc1cccn2cc(CN3CCCc4ccccc34)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M07 compound treatment 0.406 0.0146 0.54 0.444 0.0505 3.27 2.6898 0.8124 1651667 IFLab1_000623 Fc1ccc(Nc2nc(cs2)c3cc4ccccc4oc3=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M08 compound treatment 0.406 0.0146 0.54 0.402 0.00848 0.55 0.768 0.9999 1199946 IFLab1_000624 Clc1ccc(OC(=O)c2ccncc2)c3ncccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M09 compound treatment 0.402 0.0106 0.39 0.398 0.00448 0.29 0.4811 0.9894 1917560 IFLab1_000625 O=C(CSc1nnc[nH]1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M10 compound treatment 0.404 0.0126 0.46 0.403 0.00948 0.61 0.7618 0.9904 2066115 IFLab1_000626 CC(=O)Nc1nc(c2ccccc2)[n+](s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M11 compound treatment 0.397 0.00563 0.21 0.399 0.00548 0.35 0.397 0.9668 1254501 IFLab1_000627 CCc1ccc(OCC(O)CNC(C)(C)C)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M12 compound treatment 0.402 0.0106 0.39 0.408 0.0145 0.94 0.9386 0.9246 1676295 IFLab1_000628 Cc1ccc(cc1)C(=O)Nc2nc3CC(C)(C)CC(=O)c3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M13 compound treatment 0.409 0.0176 0.65 0.404 0.0105 0.68 0.9374 0.9997 1713221 IFLab1_000629 CCOc1ccc(cc1)c2cc3ccccn3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M14 compound treatment 0.409 0.0176 0.65 0.411 0.0175 1.13 1.2577 0.9649 1697812 IFLab1_000630 OC(=O)CSc1nc2ccccc2nc1SCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M15 compound treatment 0.397 0.00563 0.21 0.398 0.00448 0.29 0.3512 0.9861 2066116 IFLab1_000631 C1Oc2ccc(/C=N/c3ccc(cc3)N4CCOCC4)cc2O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M16 compound treatment 0.404 0.0126 0.46 0.398 0.00448 0.29 0.533 0.9745 1251723 IFLab1_000632 Cc1ccnc(SC(C(=O)O)c2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M17 compound treatment 0.406 0.0146 0.54 0.401 0.00748 0.48 0.7222 0.9987 1718133 IFLab1_000633 COc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M18 compound treatment 0.405 0.0136 0.5 0.4 0.00648 0.42 0.6505 0.9962 1608218 IFLab1_000634 Cc1ccccc1n2c(=O)c3ccccc3n4nnnc24 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M19 compound treatment 0.421 0.0296 1.09 0.421 0.0275 1.78 2.0269 0.9722 2066117 IFLab1_000635 CC1CCc2sc(NC(=O)c3ccco3)c(C#N)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M20 compound treatment 0.404 0.0126 0.46 0.4 0.00648 0.42 0.6245 0.9988 2066118 IFLab1_000636 Clc1cccc(Cl)c1NC2=NCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M21 compound treatment 0.395 0.00363 0.13 0.393 -5.16E-4 -0.03 0.0705 0.5138 1316539 IFLab1_000637 CN(Cc1ccccc1)C(=O)COc2ccc(Br)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M22 compound treatment 0.398 0.00663 0.24 0.403 0.00948 0.61 0.606 0.9179 1716728 IFLab1_000638 Cc1ccc(cc1)C(=O)Nc2nnc(s2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M23 mock treatment 0.389 -0.00237 -0.09 0.395 0.00148 0.1 0.0062 0.048 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 M24 mock treatment 0.392 6.25E-4 0.02 0.394 4.84E-4 0.03 0.0384 0.9883 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N01 compound treatment 0.407 0.0156 0.57 0.401 0.00748 0.48 0.7482 0.9964 1183943 IFLab1_000639 Brc1ccc(cc1)c2nnc(NC(=O)Cc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N02 compound treatment 0.385 -0.00637 -0.23 0.385 -0.00852 -0.55 -0.5552 -0.9273 1722057 IFLab1_000640 Oc1ccc2c(=O)c(coc2c1)c3cc4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N03 compound treatment 0.423 0.0316 1.16 0.429 0.0355 2.3 2.4449 0.9501 1514271 IFLab1_000641 COc1cccc(NC2SC(=O)N(C2=O)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N04 compound treatment 0.394 0.00263 0.1 0.392 -0.00152 -0.1 -0.0012 -0.0088 1470825 IFLab1_000642 OC(=O)COc1ccc2c(=O)c(coc2c1)c3cscn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N05 compound treatment 0.405 0.0136 0.5 0.403 0.00948 0.61 0.7878 0.9949 1567994 IFLab1_000643 NC(=O)c1cc2cccc(CC=C)c2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N06 compound treatment 0.398 0.00663 0.24 0.389 -0.00452 -0.29 -0.0346 -0.091 1661386 IFLab1_000644 CCc1cc2c(=O)c(coc2cc1O)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N07 compound treatment 0.4 0.00863 0.32 0.382 -0.0115 -0.75 -0.303 -0.3742 1425226 IFLab1_000645 NC1=C(C#N)C(C2CCCCC2)c3c(O1)c4ccccc4oc3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N08 compound treatment 0.38 -0.0114 -0.42 0.371 -0.0225 -1.46 -1.3257 -0.8746 1145802 IFLab1_000646 CCc1cc(c(O)cc1OC)c2nc(N)ncc2c3cscn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N09 compound treatment 0.384 -0.00737 -0.27 0.38 -0.0135 -0.87 -0.81 -0.8846 1641303 IFLab1_000647 CCOc1cc(ccc1O)C2CC(=O)NC(=C2C#N)SCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N10 compound treatment 0.431 0.0396 1.46 0.431 0.0375 2.43 2.7441 0.9701 1469406 IFLab1_000648 COc1ccc(C(=O)Cc2ccc3OCCOc3c2)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N11 compound treatment 0.398 0.00663 0.24 0.398 0.00448 0.29 0.3772 0.9962 2066119 IFLab1_000649 O=C(OCc1nc2ccccc2s1)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N12 compound treatment 0.39 -0.00137 -0.05 0.39 -0.00352 -0.23 -0.1966 -0.8435 1178007 IFLab1_000650 COc1ccc(c2n[nH]cc2c3cnc(C)s3)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N13 compound treatment 0.316 -0.0754 -2.77 0.312 -0.0815 -5.28 -5.6872 -0.9547 1518256 IFLab1_000651 Cc1noc(c1c2ccc3OCCCOc3c2)c4ccc(O)cc4O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N14 compound treatment 0.398 0.00663 0.24 0.397 0.00348 0.23 0.3314 0.9993 2066120 IFLab1_000652 CC(C)c1nc(C)cc(SCNC(=O)c2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N15 compound treatment 0.392 6.25E-4 0.02 0.386 -0.00752 -0.49 -0.3277 -0.673 1120486 IFLab1_000653 COc1cccc(Oc2coc3cc(O)ccc3c2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N16 compound treatment 0.401 0.00963 0.35 0.396 0.00248 0.16 0.3636 0.9364 2066121 IFLab1_000654 CCOC(=O)c1sc(NC2=NCCCCC2)nc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N17 compound treatment 0.394 0.00263 0.1 0.396 0.00248 0.16 0.1818 0.9701 2066122 IFLab1_000655 Oc1ccc2c(=O)c(c3ccc4OCCOc4c3)c(oc2c1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N18 compound treatment 0.415 0.0236 0.87 0.409 0.0155 1.0 1.322 0.9974 2066123 IFLab1_000656 CN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3cccc(c3)C(=O)O)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N19 compound treatment 0.377 -0.0144 -0.53 0.374 -0.0195 -1.26 -1.2663 -0.9251 2066124 IFLab1_000657 Cc1csc(n1)c2c(oc3cc(O)c(C)cc3c2=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N20 compound treatment 0.404 0.0126 0.46 0.397 0.00348 0.23 0.4872 0.9451 2066125 IFLab1_000658 COc1ccc(/C=C\2/SC(=S)N(CC(=O)NCc3ccccc3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N21 compound treatment 0.393 0.00163 0.06 0.395 0.00148 0.1 0.1101 0.9738 1409498 IFLab1_000659 Cc1csc(n1)c2c(C)oc3cc(O)ccc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N22 compound treatment 0.405 0.0136 0.5 0.402 0.00848 0.55 0.742 0.9989 2066126 IFLab1_000660 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)O)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N23 mock treatment 0.39 -0.00137 -0.05 0.398 0.00448 0.29 0.1695 0.5754 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 N24 mock treatment 0.392 6.25E-4 0.02 0.392 -0.00152 -0.1 -0.0531 -0.5275 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O01 compound treatment 0.379 -0.0124 -0.45 0.391 -0.00252 -0.16 -0.4365 -0.9042 2066127 IFLab1_000661 Cc1ccc(SCc2nc3ncccn3c2Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O02 compound treatment 0.431 0.0396 1.46 0.429 0.0355 2.3 2.6526 0.9758 2066128 IFLab1_000662 COc1ccc(NC2CC(=O)N(C2=O)c3ccccc3C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O03 compound treatment 0.394 0.00263 0.1 0.394 4.84E-4 0.03 0.0903 0.891 2066129 IFLab1_000663 CSc1nc2cc(NC(=O)c3cccs3)ccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O04 compound treatment 0.4 0.00863 0.32 0.404 0.0105 0.68 0.7037 0.9398 2066130 IFLab1_000664 Cc1nc2cc(NC(=O)c3ccc(Br)s3)ccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O05 compound treatment 0.401 0.00963 0.35 0.402 0.00848 0.55 0.6381 0.9773 1429139 IFLab1_000665 CNC(=O)c1cc2ccccc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O06 compound treatment 0.411 0.0196 0.72 0.4 0.00648 0.42 0.8063 0.9669 1210621 IFLab1_000666 Clc1ccc(OC(=O)c2ccco2)c3ncccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O07 compound treatment 0.409 0.0176 0.65 0.394 4.84E-4 0.03 0.4798 0.7404 1131108 IFLab1_000667 COc1ccc2oc(=O)c(cc2c1)c3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O08 compound treatment 0.4 0.00863 0.32 0.408 0.0145 0.94 0.8867 0.8963 2066131 IFLab1_000668 NC(=N)SCc1cn2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O09 compound treatment 0.428 0.0366 1.34 0.426 0.0325 2.1 2.4374 0.9767 2066132 IFLab1_000669 Nc1nc(nc(c1C#N)C(F)(F)F)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O10 compound treatment 0.482 0.0906 3.33 0.477 0.0835 5.4 6.1733 0.9729 1442636 IFLab1_000670 Cc1ccc(cc1)c2nc(C#N)c(NCc3ccco3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O11 compound treatment 0.395 0.00363 0.13 0.394 4.84E-4 0.03 0.1163 0.8502 1126167 IFLab1_000671 CC(C)NCC(O)COc1ccc2ccccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O12 compound treatment 0.397 0.00563 0.21 0.402 0.00848 0.55 0.5343 0.9108 1255431 IFLab1_000672 CC1(C)CC(=O)c2sc(NC(=O)c3ccc(F)cc3)nc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O13 compound treatment 0.406 0.0146 0.54 0.395 0.00148 0.1 0.4477 0.8205 1284522 IFLab1_000673 COc1ccc(cc1)c2[nH]c(=N)sc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O14 compound treatment 0.401 0.00963 0.35 0.401 0.00748 0.48 0.5924 0.988 1492827 IFLab1_000674 Cc1cc(O)nc(SC(C(=O)O)c2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O15 compound treatment 0.399 0.00763 0.28 0.396 0.00248 0.16 0.3117 0.9653 2066133 IFLab1_000675 FC(F)(F)Sc1ccc(NC(=O)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O16 compound treatment 0.416 0.0246 0.9 0.399 0.00548 0.35 0.8904 0.9165 1604786 IFLab1_000676 OC(=O)C(Sc1ncccn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O17 compound treatment 0.399 0.00763 0.28 0.405 0.0115 0.74 0.7235 0.911 1131927 IFLab1_000677 CCc1ccc(cc1)C(=O)Oc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O18 compound treatment 0.41 0.0186 0.68 0.406 0.0125 0.81 1.0549 0.9966 1192767 IFLab1_000678 Clc1ccc(cc1)C(=O)Nc2nc(=S)ss2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O19 compound treatment 0.401 0.00963 0.35 0.398 0.00448 0.29 0.4551 0.9952 1280949 IFLab1_000679 CC(C)C(=O)Nc1sc2CCC(C)Cc2c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O20 compound treatment 0.399 0.00763 0.28 0.397 0.00348 0.23 0.3574 0.9942 1375435 IFLab1_000680 COc1ccc(cc1)c2c(C)sc(=NCCO)n2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O21 compound treatment 0.394 0.00263 0.1 0.4 0.00648 0.42 0.3649 0.8475 1343193 IFLab1_000681 COc1cccc(OCC(=O)NC(C)C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O22 compound treatment 0.398 0.00663 0.24 0.396 0.00248 0.16 0.2857 0.9798 1428115 IFLab1_000682 Cc1cccc(c1)C(=O)Nc2nnc(s2)c3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O23 mock treatment 0.391 -3.75E-4 -0.01 0.4 0.00648 0.42 0.287 0.6835 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 O24 mock treatment 0.375 -0.0164 -0.6 0.387 -0.00652 -0.42 -0.7234 -0.9849 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P01 compound treatment 0.377 -0.0144 -0.53 0.381 -0.0125 -0.81 -0.946 -0.9785 2066134 IFLab1_000683 CSc1nc(O)cc(NC(=O)C(F)(F)F)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P02 compound treatment 0.393 0.00163 0.06 0.395 0.00148 0.1 0.1101 0.9738 1734927 IFLab1_000684 CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P03 compound treatment 0.41 0.0186 0.68 0.404 0.0105 0.68 0.9633 1.0 1313753 IFLab1_000685 Cc1ccccc1S(=O)(=O)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P04 compound treatment 0.394 0.00263 0.1 0.39 -0.00352 -0.23 -0.0927 -0.3753 1477934 IFLab1_000686 COc1ccc2c(=O)c(coc2c1C)c3csc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P05 compound treatment 0.398 0.00663 0.24 0.402 0.00848 0.55 0.5602 0.933 2066135 IFLab1_000687 O=C/1N\C(=N\c2ccccc2)\S\C1=C/c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P06 compound treatment 0.398 0.00663 0.24 0.386 -0.00752 -0.49 -0.1719 -0.3161 1658364 IFLab1_000688 CCc1cc2c(=O)c(coc2c(CN(C)C)c1O)c3cscn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P07 compound treatment 0.392 6.25E-4 0.02 0.39 -0.00352 -0.23 -0.1447 -0.6326 2066136 IFLab1_000689 NC1=C(C#N)C(CCc2ccccc2)c3c(O1)c4ccccc4oc3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P08 compound treatment 0.38 -0.0114 -0.42 0.384 -0.00952 -0.62 -0.7308 -0.9821 1918579 IFLab1_000690 COc1ccc2c(=O)c(coc2c1)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P09 compound treatment 0.406 0.0146 0.54 0.399 0.00548 0.35 0.6307 0.9798 2066137 IFLab1_000691 CCc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P10 compound treatment 0.353 -0.0384 -1.41 0.351 -0.0425 -2.75 -2.9419 -0.9517 1241693 IFLab1_000692 CCCc1cc2c(=O)c(c(C)oc2cc1O)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P11 compound treatment 0.394 0.00263 0.1 0.398 0.00448 0.29 0.2733 0.894 2066138 IFLab1_000693 COc1ccc(cc1OC)C(=O)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P12 compound treatment 0.393 0.00163 0.06 0.386 -0.00752 -0.49 -0.3017 -0.6157 1249520 IFLab1_000694 CC(=O)Oc1ccc2c(=O)c(coc2c1)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P13 compound treatment 0.402 0.0106 0.39 0.394 4.84E-4 0.03 0.298 0.7614 1550204 IFLab1_000695 Cc1oc2cc(OCC#N)ccc2c(=O)c1c3ccc4OCCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P14 compound treatment 0.398 0.00663 0.24 0.398 0.00448 0.29 0.3772 0.9962 1636441 IFLab1_000696 Fc1ccc(NC2CC(=O)N(Cc3ccccc3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P15 compound treatment 0.39 -0.00137 -0.05 0.373 -0.0205 -1.33 -0.9745 -0.7335 1455221 IFLab1_000697 Oc1cc(O)c2c(=O)c(Oc3ccc(F)cc3)coc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P16 compound treatment 0.401 0.00963 0.35 0.401 0.00748 0.48 0.5924 0.988 2066139 IFLab1_000698 OC(=O)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P17 compound treatment 0.394 0.00263 0.1 0.394 4.84E-4 0.03 0.0903 0.891 1492285 IFLab1_000699 Oc1cc(O)c2c(=O)c(coc2c1)c3ccc4OCCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P18 compound treatment 0.46 0.0686 2.52 0.44 0.0465 3.01 3.909 0.9961 1922325 IFLab1_000700 OC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P19 compound treatment 0.394 0.00263 0.1 0.394 4.84E-4 0.03 0.0903 0.891 1387348 IFLab1_000701 Oc1cc(O)c2c(=O)c(coc2c1)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P20 compound treatment 0.392 6.25E-4 0.02 0.391 -0.00252 -0.16 -0.0989 -0.6015 2066140 IFLab1_000702 CN1CCN(CC1)C(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)/C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P21 compound treatment 0.616 0.225 8.25 0.618 0.224 14.53 16.1047 0.964 1608146 IFLab1_000703 CCc1cc(c2n[nH]cc2c3ccc4OCCOc4c3)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P22 compound treatment 0.416 0.0246 0.9 0.413 0.0195 1.26 1.531 0.9867 2066141 IFLab1_000704 O=C1NC(=O)/C(=C\C=C\c2ccccc2)/S1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P23 mock treatment 0.381 -0.0104 -0.38 0.384 -0.00952 -0.62 -0.7048 -0.9734 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1413 P24 mock treatment 0.369 -0.0224 -0.82 0.373 -0.0205 -1.33 -1.5198 -0.9734 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A01 compound treatment 0.359 -0.032 -1.18 0.374 -0.0174 -1.13 -1.6265 -0.9998 2066142 IFLab1_000705 COc1ccccc1/C=C/2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A02 compound treatment 0.38 -0.011 -0.4 0.376 -0.0154 -1.0 -0.9897 -0.9211 2066143 IFLab1_000706 Nc1c(C#N)cnn1c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A03 compound treatment 0.393 0.002 0.07 0.361 -0.0304 -1.97 -1.3385 -0.6802 2066144 IFLab1_000707 CCOc1cc(/C=C/2\SC(=S)N(C2=O)c3ccccc3)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A04 compound treatment 0.379 -0.012 -0.44 0.385 -0.00639 -0.41 -0.6039 -0.9995 2066145 IFLab1_000708 O=c1[nH]c(nc2sc3CCCCc3c12)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A05 compound treatment 0.385 -0.006 -0.22 0.381 -0.0104 -0.67 -0.6311 -0.8922 1582407 IFLab1_000709 NC(=O)c1cc(Cl)c(cc1Cl)C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A06 compound treatment 0.383 -0.008 -0.29 0.382 -0.00939 -0.61 -0.6373 -0.9444 2066146 IFLab1_000710 CCc1nc2sc3CCCCc3c2c4nncn14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A07 compound treatment 0.389 -0.002 -0.07 0.381 -0.0104 -0.67 -0.5272 -0.7797 1178646 IFLab1_000711 Cc1onc(c1C(=O)NCC2COc3ccccc3O2)c4ccccc4Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A08 compound treatment 0.386 -0.005 -0.18 0.397 0.00561 0.36 0.127 0.3121 1144144 IFLab1_000712 O=c1[nH]cnc2n(ncc12)c3ccc4ccccc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A09 compound treatment 0.385 -0.006 -0.22 0.383 -0.00839 -0.54 -0.5396 -0.9212 1696434 IFLab1_000713 Cc1nc2ccccc2nc1SCC(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A10 compound treatment 0.396 0.005 0.18 0.39 -0.00139 -0.09 0.0664 0.3247 1293363 IFLab1_000714 OC(=O)CCC(=O)Nc1ccccc1C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A11 compound treatment 0.386 -0.005 -0.18 0.388 -0.00339 -0.22 -0.2848 -0.9961 2066147 IFLab1_000715 CCC(=O)N=c1sc2cc(C)ccc2n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A12 compound treatment 0.397 0.006 0.22 0.399 0.00761 0.49 0.5042 0.9342 1443857 IFLab1_000716 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A13 compound treatment 0.393 0.002 0.07 0.401 0.00961 0.62 0.4918 0.7851 1209496 IFLab1_000717 CCCOc1ccccc1N2C(=O)CC(N(O)c3ccccc3)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A14 compound treatment 0.427 0.036 1.32 0.442 0.0506 3.28 3.2507 0.9204 1915651 IFLab1_000718 OC(=O)c1cc(nc2C(=O)C=C(O)C(=O)c12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A15 compound treatment 0.419 0.028 1.03 0.417 0.0256 1.66 1.8991 0.9736 1191019 IFLab1_000719 Oc1ccc2cc(c3ccccn3)c(=O)oc2c1CN4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A16 compound treatment 0.395 0.004 0.15 0.398 0.00661 0.43 0.4065 0.8984 2066148 IFLab1_000720 OC(=O)CCCNC1=NCCS1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A17 compound treatment 0.386 -0.005 -0.18 0.384 -0.00739 -0.48 -0.4679 -0.9136 2066149 IFLab1_000721 Brc1ccc(cc1)C(=O)COC(=O)c2cc3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A18 compound treatment 0.385 -0.006 -0.22 0.389 -0.00239 -0.15 -0.265 -0.9849 2066150 IFLab1_000722 NCCCc1nc2cc(Cc3ccc4[nH]c(CCCN)nc4c3)ccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A19 compound treatment 0.386 -0.005 -0.18 0.389 -0.00239 -0.15 -0.2391 -0.9963 1582593 IFLab1_000723 O=C(COC(=O)c1ccc(cc1)S(=O)(=O)N2CCCCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A20 compound treatment 0.386 -0.005 -0.18 0.386 -0.00539 -0.35 -0.3763 -0.9552 1178732 IFLab1_000724 CCOC(=O)c1ccccc1NCn2nnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A21 compound treatment 0.38 -0.011 -0.4 0.381 -0.0104 -0.67 -0.7609 -0.9703 2066151 IFLab1_000725 COc1ncnc2sc3CCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A22 compound treatment 0.379 -0.012 -0.44 0.377 -0.0144 -0.93 -0.9699 -0.9416 2066152 IFLab1_000726 CCOc1ccccc1NC(=O)CC2SC(=N)NC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A23 mock treatment 0.378 -0.013 -0.48 0.375 -0.0164 -1.06 -1.0874 -0.9351 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 A24 mock treatment 0.356 -0.035 -1.29 0.358 -0.0334 -2.16 -2.4366 -0.9692 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B01 compound treatment 0.405 0.014 0.51 0.398 0.00661 0.43 0.6661 0.9958 1435318 IFLab1_000727 COc1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B02 compound treatment 0.399 0.008 0.29 0.399 0.00761 0.49 0.5561 0.9695 2066153 IFLab1_000728 Cc1nc2cc(ccc2s1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B03 compound treatment 0.408 0.017 0.62 0.406 0.0146 0.95 1.1101 0.9797 1236739 IFLab1_000729 CCOc1ccc(OCC)c(c1)S(=O)(=O)NCc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B04 compound treatment 0.404 0.013 0.48 0.403 0.0116 0.75 0.8689 0.976 1357115 IFLab1_000730 Cc1ncc(CN2CCOCC2)c(N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B05 compound treatment 0.408 0.017 0.62 0.409 0.0176 1.14 1.2474 0.9599 1153755 IFLab1_000731 COc1cccc(OC)c1C(=O)Oc2cccc3ccc(C)nc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B06 compound treatment 0.403 0.012 0.44 0.405 0.0136 0.88 0.9345 0.9487 1656336 IFLab1_000732 O=C(Nc1nc2CCCCc2s1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B07 compound treatment 0.401 0.01 0.37 0.407 0.0156 1.01 0.9741 0.9061 1340351 IFLab1_000733 CN1CCN(CC1)S(=O)(=O)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B08 compound treatment 0.41 0.019 0.7 0.412 0.0206 1.33 1.4366 0.9543 1331391 IFLab1_000734 COc1ccccc1NC(=O)CCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B09 compound treatment 0.419 0.028 1.03 0.411 0.0196 1.27 1.6245 0.9945 1166622 IFLab1_000735 COc1ccc(cc1)S(=O)(=O)n2ccnc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B10 compound treatment 0.408 0.017 0.62 0.411 0.0196 1.27 1.3389 0.9466 1632537 IFLab1_000736 Cc1ccc(cc1)c2nc(nc3ccccc23)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B11 compound treatment 0.409 0.018 0.66 0.416 0.0246 1.59 1.5936 0.9241 2066154 IFLab1_000737 CC(=O)Nc1sc(C)nc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B12 compound treatment 0.365 -0.026 -0.95 0.372 -0.0194 -1.25 -1.5622 -0.9909 1345692 IFLab1_000738 CCS(=O)(=O)c1ccc(O)c(c1)N2C(=O)c3cccc4cccc(C2=O)c34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B13 compound treatment 0.398 0.007 0.26 0.387 -0.00439 -0.28 -0.019 -0.0496 1144948 IFLab1_000739 Cc1ccc(Nc2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B14 compound treatment 0.446 0.055 2.02 0.417 0.0256 1.66 2.6002 0.9952 1625199 IFLab1_000740 Cc1ccc(cc1)S(=O)(=O)N2CCCC(C2)C(=O)NCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B15 compound treatment 0.352 -0.039 -1.43 0.36 -0.0314 -2.03 -2.4489 -0.9854 2066155 IFLab1_000741 CC(C)CC1C(=C(N)OC2=C1C(=O)CC(C2)c3ccccc3)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B16 compound treatment 0.41 0.019 0.7 0.406 0.0146 0.95 1.162 0.9888 2066156 IFLab1_000742 OC(=O)/C=C/C(=O)NC1CCCC(C1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B17 compound treatment 0.419 0.028 1.03 0.415 0.0236 1.53 1.8075 0.9814 2066157 IFLab1_000743 Cc1c(C#N)c(N)nc(SCC(=O)N)c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B18 compound treatment 0.438 0.047 1.73 0.435 0.0436 2.82 3.2161 0.9722 2066158 IFLab1_000744 FC(F)(F)c1cccc(c1)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B19 compound treatment 0.409 0.018 0.66 0.411 0.0196 1.27 1.3648 0.9538 1262898 IFLab1_000745 CSc1nc(cc(c1C#N)c2ccccc2)C3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B20 compound treatment 0.403 0.012 0.44 0.405 0.0136 0.88 0.9345 0.9487 1093273 IFLab1_000746 Cc1cc(C)n(n1)c2ccc(Cl)nn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B21 compound treatment 0.407 0.016 0.59 0.404 0.0126 0.82 0.9926 0.987 2066159 IFLab1_000747 CN(C)C(=O)c1cc(F)c(F)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B22 compound treatment 0.396 0.005 0.18 0.401 0.00961 0.62 0.5697 0.8784 2066160 IFLab1_000748 O=C(CSc1nnc2ccccn12)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B23 mock treatment 0.403 0.012 0.44 0.399 0.00761 0.49 0.6599 0.9985 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 B24 mock treatment 0.39 -0.001 -0.04 0.395 0.00361 0.23 0.1394 0.5888 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C01 compound treatment 0.375 -0.016 -0.59 0.377 -0.0144 -0.93 -1.0738 -0.9754 2066161 IFLab1_000749 COc1cccc(/C=C\2/SC(=S)N(CCC(=O)N3CCCCC3)C2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C02 compound treatment 0.385 -0.006 -0.22 0.375 -0.0164 -1.06 -0.9056 -0.8362 2066162 IFLab1_000750 CN(C)CCCNc1ncnc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C03 compound treatment 0.39 -0.001 -0.04 0.4 0.00861 0.56 0.3681 0.6591 2066163 IFLab1_000751 COc1ccc(/C=C/2\SC(=O)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C04 compound treatment 0.39 -0.001 -0.04 0.38 -0.0114 -0.74 -0.547 -0.7414 1336422 IFLab1_000752 O=C(N1CCCCC1)c2ccc3SCC(=O)Nc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C05 compound treatment 0.383 -0.008 -0.29 0.376 -0.0154 -1.0 -0.9118 -0.8783 2066164 IFLab1_000753 Cc1nnc(SCC(=O)c2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C06 compound treatment 0.388 -0.003 -0.11 0.382 -0.00939 -0.61 -0.5074 -0.8219 1387926 IFLab1_000754 CCN1CCN(CC1)c2nc(C)nc3sc4CCCc4c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C07 compound treatment 0.468 0.077 2.83 0.473 0.0816 5.28 5.7339 0.9571 2066165 IFLab1_000755 OC(=O)CSc1nc(ccc1C#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C08 compound treatment 0.392 0.001 0.04 0.393 0.00161 0.1 0.0998 0.9017 1179581 IFLab1_000756 O=C(Cc1ccccc1)Oc2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C09 compound treatment 0.381 -0.01 -0.37 0.379 -0.0124 -0.8 -0.8265 -0.9374 1679237 IFLab1_000757 O=C(CSc1ncnc2ccccc12)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C10 compound treatment 0.381 -0.01 -0.37 0.384 -0.00739 -0.48 -0.5977 -0.9915 2066166 IFLab1_000758 CCCSc1nc(C)cc(O)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C11 compound treatment 0.397 0.006 0.22 0.39 -0.00139 -0.09 0.0923 0.3881 2066167 IFLab1_000759 CC(C)C(=O)N=c1sc2cc(C)ccc2n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C12 compound treatment 0.372 -0.019 -0.7 0.376 -0.0154 -1.0 -1.1974 -0.9849 1211734 IFLab1_000760 Oc1ccc(cc1)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C13 compound treatment 0.398 0.007 0.26 0.395 0.00361 0.23 0.3471 0.9989 2066168 IFLab1_000761 Fc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C14 compound treatment 0.382 -0.009 -0.33 0.382 -0.00939 -0.61 -0.6632 -0.9591 1247012 IFLab1_000762 Cc1ccc(cc1)S(=O)(=O)N2CCn3c(C2)nc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C15 compound treatment 0.385 -0.006 -0.22 0.384 -0.00739 -0.48 -0.4938 -0.9382 1378201 IFLab1_000763 CCc1sc(=N)[nH]c1c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C16 compound treatment 0.388 -0.003 -0.11 0.389 -0.00239 -0.15 -0.1871 -0.9863 1013636 IFLab1_000764 OC(=O)c1cc2ccccc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C17 compound treatment 0.466 0.075 2.75 0.458 0.0666 4.31 4.9956 0.9766 2066169 IFLab1_000765 CCN(CC)c1ccc(/C=N/c2nc3CCCCc3s2)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C18 compound treatment 0.39 -0.001 -0.04 0.392 6.13E-4 0.04 0.0021 0.0385 1196090 IFLab1_000766 CCCCc1ccc(cc1)c2nc3ccccc3c(=O)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C19 compound treatment 0.419 0.028 1.03 0.41 0.0186 1.2 1.5788 0.9969 1605525 IFLab1_000767 NC(=O)c1ccsc1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C20 compound treatment 0.382 -0.009 -0.33 0.386 -0.00539 -0.35 -0.4802 -0.9996 1589089 IFLab1_000768 NC(=O)c1cc2ccccc2oc1=Nc3ccc(Cl)cc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C21 compound treatment 0.383 -0.008 -0.29 0.382 -0.00939 -0.61 -0.6373 -0.9444 1072653 IFLab1_000769 NC(=O)c1c(N)sc2CCCCc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C22 compound treatment 0.383 -0.008 -0.29 0.379 -0.0124 -0.8 -0.7745 -0.9072 1427875 IFLab1_000770 OC(=O)c1ccccc1SC2CC(=O)N(C2=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C23 mock treatment 0.376 -0.015 -0.55 0.371 -0.0204 -1.32 -1.3224 -0.925 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 C24 mock treatment 0.375 -0.016 -0.59 0.373 -0.0184 -1.19 -1.2568 -0.9471 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D01 compound treatment 0.401 0.01 0.37 0.394 0.00261 0.17 0.3792 0.938 1336894 IFLab1_000771 CCOC(=O)c1[nH]c(COC(=O)C)c(CC)c1CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D02 compound treatment 0.402 0.011 0.4 0.394 0.00261 0.17 0.4052 0.9253 2066170 IFLab1_000772 FC(F)(F)Sc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D03 compound treatment 0.402 0.011 0.4 0.406 0.0146 0.95 0.9543 0.928 1628546 IFLab1_000773 COc1cc(c(OC)cc1Cl)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D04 compound treatment 0.392 0.001 0.04 0.401 0.00961 0.62 0.4658 0.7475 1343364 IFLab1_000774 CC(=O)Nc1cc2ccccc2cc1NC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D05 compound treatment 0.394 0.003 0.11 0.4 0.00861 0.56 0.472 0.8308 1355529 IFLab1_000775 CCOc1ccc2cc(ccc2c1)S(=O)(=O)N3CCN(C)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D06 compound treatment 0.403 0.012 0.44 0.401 0.00961 0.62 0.7515 0.9857 1619282 IFLab1_000776 Brc1ccc(NC(=O)c2ccco2)c(c1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D07 compound treatment 0.404 0.013 0.48 0.404 0.0126 0.82 0.9147 0.9674 2066171 IFLab1_000777 Cc1cn(cn1)S(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D08 compound treatment 0.4 0.009 0.33 0.403 0.0116 0.75 0.7651 0.9319 1626796 IFLab1_000778 Cc1ccc(NC(=S)SCCC(=O)N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D09 compound treatment 0.406 0.015 0.55 0.398 0.00661 0.43 0.6921 0.9922 2066172 IFLab1_000779 CC1=C(C)C/S(=N\c2ccccc2)/N(C1)S(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D10 compound treatment 0.393 0.002 0.07 0.397 0.00561 0.36 0.3088 0.8332 1774660 IFLab1_000780 OC(=O)CNS(=O)(=O)/C=C/c1ccccc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D11 compound treatment 0.403 0.012 0.44 0.397 0.00561 0.36 0.5684 0.9954 1567659 IFLab1_000781 CC(=O)Nc1c(nc2ccccn12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D12 compound treatment 0.394 0.003 0.11 0.398 0.00661 0.43 0.3805 0.8611 1334752 IFLab1_000782 OP(=O)(C1CCCCN1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D13 compound treatment 0.401 0.01 0.37 0.392 6.13E-4 0.04 0.2877 0.7789 1558592 IFLab1_000783 COc1ccc(Nc2nc3ccccc3[nH]2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D14 compound treatment 0.393 0.002 0.07 0.399 0.00761 0.49 0.4003 0.8036 1453859 IFLab1_000784 O=S(=O)(N1CCC2CCCCC2C1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D15 compound treatment 0.398 0.007 0.26 0.399 0.00761 0.49 0.5301 0.954 1351496 IFLab1_000785 COC(=O)C1C(C(=C(NC1=O)SC)C#N)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D16 compound treatment 0.401 0.01 0.37 0.406 0.0146 0.95 0.9283 0.9151 2066173 IFLab1_000786 O=C(CSc1nnc2ccccn12)Nc3sc4CCCCc4c3C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D17 compound treatment 0.455 0.064 2.35 0.459 0.0676 4.38 4.7557 0.9575 1567187 IFLab1_000787 NC1=C(C#N)C(Cc2ccccc2)C(=C(N)S1)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D18 compound treatment 0.399 0.008 0.29 0.404 0.0126 0.82 0.7849 0.9048 1729782 IFLab1_000788 c1ccc2c3nnnn3c(nc2c1)c4ccncc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D19 compound treatment 0.433 0.042 1.54 0.435 0.0436 2.82 3.0862 0.9596 1391339 IFLab1_000789 Nc1c(C#N)c(cc(c1C#N)c2ccccc2)C3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D20 compound treatment 0.396 0.005 0.18 0.389 -0.00239 -0.15 0.0206 0.0859 2066174 IFLab1_000790 CCOc1ccc2N3CCS(=O)(=O)N=C3Sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D21 compound treatment 0.41 0.019 0.7 0.417 0.0256 1.66 1.6654 0.9261 2066175 IFLab1_000791 CCN1C(=O)/C(=C/N(C(=O)C)c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D22 compound treatment 0.394 0.003 0.11 0.396 0.00461 0.3 0.289 0.9082 2066176 IFLab1_000792 O=C(/C=C/c1ccco1)N2CCN(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D23 mock treatment 0.394 0.003 0.11 0.398 0.00661 0.43 0.3805 0.8611 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 D24 mock treatment 0.383 -0.008 -0.29 0.39 -0.00139 -0.09 -0.2712 -0.8829 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E01 compound treatment 0.392 0.001 0.04 0.39 -0.00139 -0.09 -0.0375 -0.3867 2066177 IFLab1_000793 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E02 compound treatment 0.401 0.01 0.37 0.406 0.0146 0.95 0.9283 0.9151 1215246 IFLab1_000794 Cc1cccc(NS(=O)(=O)c2ccc3OCCOc3c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E03 compound treatment 0.446 0.055 2.02 0.444 0.0526 3.4 3.8356 0.9689 2066178 IFLab1_000795 CN(C)c1ccc(/C=C/2\SC(=O)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E04 compound treatment 0.405 0.014 0.51 0.399 0.00761 0.49 0.7119 0.9998 1917636 IFLab1_000796 C(CSc1nc2ccccc2s1)CN3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E05 compound treatment 0.447 0.056 2.06 0.48 0.0886 5.73 5.5089 0.9043 2066179 IFLab1_000797 COc1ccc(cc1)c2ccnc(SCC(=O)c3ccc(Cl)cc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E06 compound treatment 0.412 0.021 0.77 0.403 0.0116 0.75 1.0767 0.9999 1382086 IFLab1_000798 COc1ccc2c(C)cc(nc2c1)n3nc(C)cc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E07 compound treatment 0.409 0.018 0.66 0.401 0.00961 0.62 0.9073 0.9995 2066180 IFLab1_000799 Cc1ccc(C#N)c(SC(C(=O)O)c2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E08 compound treatment 0.457 0.066 2.42 0.458 0.0666 4.31 4.7619 0.9629 2066181 IFLab1_000800 OC(=O)CSc1ccc2ccccc2c1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E09 compound treatment 0.401 0.01 0.37 0.398 0.00661 0.43 0.5623 0.9971 2066182 IFLab1_000801 CC(C)C(=O)Nc1nc(cs1)c2ccc(Br)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E10 compound treatment 0.405 0.014 0.51 0.404 0.0126 0.82 0.9407 0.9752 1241077 IFLab1_000802 O=S(=O)(CCc1nc2ccccc2[nH]1)CCc3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E11 compound treatment 0.401 0.01 0.37 0.409 0.0176 1.14 1.0656 0.8899 2066183 IFLab1_000803 Cc1ccc2n(C)c(=NC(=O)c3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E12 compound treatment 0.412 0.021 0.77 0.405 0.0136 0.88 1.1682 0.9978 1003071 IFLab1_000804 OC(=O)CCC(=O)c1ccc2ccccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E13 compound treatment 0.415 0.024 0.88 0.417 0.0256 1.66 1.7952 0.9563 1439444 IFLab1_000805 O=C(c1ccc(cc1)S(=O)(=O)N2CCCCC2)n3cnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E14 compound treatment 0.402 0.011 0.4 0.402 0.0106 0.69 0.7713 0.968 1167767 IFLab1_000806 Cc1nc2cc(CO)ccc2n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E15 compound treatment 0.408 0.017 0.62 0.408 0.0166 1.08 1.2016 0.9666 2066184 IFLab1_000807 O=C(C/N=C/1\CCCN1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E16 compound treatment 0.405 0.014 0.51 0.407 0.0156 1.01 1.0779 0.9509 1467897 IFLab1_000808 COC(=O)c1cccc(n1)C(=O)Oc2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E17 compound treatment 0.407 0.016 0.59 0.418 0.0266 1.72 1.6332 0.8976 1553040 IFLab1_000809 COC(=O)C(NC(=O)c1cccs1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E18 compound treatment 0.408 0.017 0.62 0.409 0.0176 1.14 1.2474 0.9599 1175330 IFLab1_000810 O=C(NCc1nc2ccccc2[nH]1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E19 compound treatment 0.398 0.007 0.26 0.404 0.0126 0.82 0.7589 0.8869 2066185 IFLab1_000811 CC(N)(C(=O)O)c1cccc(OCc2cccc(Cl)c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E20 compound treatment 0.407 0.016 0.59 0.409 0.0176 1.14 1.2214 0.9525 1920319 IFLab1_000812 Brc1ccc(o1)C(=O)Nc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E21 compound treatment 0.398 0.007 0.26 0.402 0.0106 0.69 0.6674 0.9101 1543687 IFLab1_000813 NS(=O)(=O)c1ccc2OCCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E22 compound treatment 0.409 0.018 0.66 0.415 0.0236 1.53 1.5479 0.9297 2066186 IFLab1_000814 FC(F)(F)c1ccccc1N2C(=O)CC(Nc3ccc(cc3)N4CCOCC4)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E23 mock treatment 0.392 0.001 0.04 0.394 0.00261 0.17 0.1455 0.8411 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 E24 mock treatment 0.395 0.004 0.15 0.393 0.00161 0.1 0.1777 0.986 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F01 compound treatment 0.405 0.014 0.51 0.398 0.00661 0.43 0.6661 0.9958 1457970 IFLab1_000815 COc1ccc(cc1OC)S(=O)(=O)n2cnc3cc(C)c(C)cc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F02 compound treatment 0.403 0.012 0.44 0.401 0.00961 0.62 0.7515 0.9857 2066187 IFLab1_000816 Fc1c(F)c(F)c(Nc2ccccc2)c(F)c1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F03 compound treatment 0.422 0.031 1.14 0.429 0.0376 2.43 2.5261 0.9401 1382541 IFLab1_000817 COc1ccc(Nc2ncc(s2)c3cc4cc(OC)ccc4oc3=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F04 compound treatment 0.447 0.056 2.06 0.465 0.0736 4.76 4.8225 0.9295 1673434 IFLab1_000818 CCN1C(=O)c2cccc3c(NC(=O)C(C)(C)C)ccc1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F05 compound treatment 0.48 0.089 3.27 0.495 0.104 6.7 7.0521 0.9454 1307775 IFLab1_000819 CCOc1ccc2cc(ccc2c1)S(=O)(=O)N3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F06 compound treatment 0.43 0.039 1.43 0.448 0.0566 3.66 3.6032 0.916 1707691 IFLab1_000820 COc1cccc(c1)C(=O)Nc2nc(cs2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F07 compound treatment 0.415 0.024 0.88 0.406 0.0146 0.95 1.2919 0.9994 2066188 IFLab1_000821 Cc1ccccc1C(=O)ON2CCCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F08 compound treatment 0.414 0.023 0.84 0.41 0.0186 1.2 1.4489 0.9849 1006473 IFLab1_000822 NC(=O)CCSC(=S)N1CCOCC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F09 compound treatment 0.405 0.014 0.51 0.42 0.0286 1.85 1.6728 0.8705 1721458 IFLab1_000823 CC1=C(C)CS(=O)N(C1)S(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F10 compound treatment 0.407 0.016 0.59 0.407 0.0156 1.01 1.1299 0.9667 1783521 IFLab1_000824 COc1ccccc1NS(=O)(=O)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F11 compound treatment 0.405 0.014 0.51 0.414 0.0226 1.46 1.3983 0.9015 1292240 IFLab1_000825 CC(=O)Nc1sc(N)nc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F12 compound treatment 0.408 0.017 0.62 0.408 0.0166 1.08 1.2016 0.9666 1529227 IFLab1_000826 CC(NC(=O)Cc1ccccc1)P(=O)(O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F13 compound treatment 0.417 0.026 0.95 0.412 0.0206 1.33 1.6183 0.9866 1429319 IFLab1_000827 OC(=O)CSc1ccc2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F14 compound treatment 0.405 0.014 0.51 0.406 0.0146 0.95 1.0322 0.959 1269335 IFLab1_000828 CC1CCCN(Cn2cnc3ccccc23)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F15 compound treatment 0.423 0.032 1.18 0.414 0.0226 1.46 1.8656 0.9941 1450633 IFLab1_000829 COC(=O)CSC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2C)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F16 compound treatment 0.415 0.024 0.88 0.415 0.0236 1.53 1.7037 0.9658 2066189 IFLab1_000830 C(CSc1nnnn1c2ccccc2)Oc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F17 compound treatment 0.422 0.031 1.14 0.425 0.0336 2.18 2.343 0.9544 1983965 IFLab1_000831 CC(C)C1C(=C(N)SC(=C1C#N)N)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F18 compound treatment 0.406 0.015 0.55 0.42 0.0286 1.85 1.6988 0.8794 1209125 IFLab1_000832 COc1ccc(cc1OC)C(=O)Nc2ncnc3sc4CCCCc4c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F19 compound treatment 0.434 0.043 1.58 0.43 0.0386 2.5 2.8834 0.9755 1733805 IFLab1_000833 NC1=C(C#N)C(CC(=C1C#N)C2CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F20 compound treatment 0.405 0.014 0.51 0.405 0.0136 0.88 0.9864 0.9671 1712762 IFLab1_000834 O=S(=O)(Nc1ccccn1)c2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F21 compound treatment 0.406 0.015 0.55 0.409 0.0176 1.14 1.1954 0.9443 1092401 IFLab1_000835 Cc1ccc(N)c(c1)C(O)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F22 compound treatment 0.404 0.013 0.48 0.404 0.0126 0.82 0.9147 0.9674 2066190 IFLab1_000836 OC(=O)CSc1nnc2sc3ccccc3n12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F23 mock treatment 0.403 0.012 0.44 0.399 0.00761 0.49 0.6599 0.9985 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 F24 mock treatment 0.399 0.008 0.29 0.399 0.00761 0.49 0.5561 0.9695 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G01 compound treatment 0.396 0.005 0.18 0.389 -0.00239 -0.15 0.0206 0.0859 2066191 IFLab1_000837 Cc1ccc(/C=C\2/SC(=S)N(CC(=O)Nc3nccs3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G02 compound treatment 0.394 0.003 0.11 0.402 0.0106 0.69 0.5635 0.8102 2066192 IFLab1_000838 CCOC(=O)c1cnn(c1N)c2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G03 compound treatment 0.393 0.002 0.07 0.395 0.00361 0.23 0.2173 0.8865 1180638 IFLab1_000839 CC(C)NC(=O)COc1ccc2ccccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G04 compound treatment 0.408 0.017 0.62 0.405 0.0136 0.88 1.0643 0.9858 2066193 IFLab1_000840 O=C(CSc1nc2ccccc2s1)Nc3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G05 compound treatment 0.395 0.004 0.15 0.397 0.00561 0.36 0.3607 0.9206 2066194 IFLab1_000841 OC(=O)C(Sc1nnc[nH]1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G06 compound treatment 0.406 0.015 0.55 0.409 0.0176 1.14 1.1954 0.9443 1260123 IFLab1_000842 Oc1ccc(CN2CCOCC2)c3cccnc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G07 compound treatment 0.439 0.048 1.76 0.441 0.0496 3.21 3.5166 0.9601 2066195 IFLab1_000843 OC(=O)C(Sc1nc(ccc1C#N)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G08 compound treatment 0.439 0.048 1.76 0.429 0.0376 2.43 2.9675 0.9874 1299218 IFLab1_000844 COc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G09 compound treatment 0.424 0.033 1.21 0.436 0.0446 2.89 2.8983 0.9257 1112883 IFLab1_000845 CC(=O)Nc1nc-2c(CCc3ccccc23)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G10 compound treatment 0.425 0.034 1.25 0.418 0.0266 1.72 2.1006 0.9875 1919273 IFLab1_000846 CSc1nnc(Nc2ccccc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G11 compound treatment 0.4 0.009 0.33 0.395 0.00361 0.23 0.399 0.9856 2066196 IFLab1_000847 CC(=O)N=c1sc2cc(C)ccc2n1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G12 compound treatment 0.414 0.023 0.84 0.418 0.0266 1.72 1.815 0.9462 1918502 IFLab1_000848 Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G13 compound treatment 0.439 0.048 1.76 0.438 0.0466 3.02 3.3793 0.9673 2066197 IFLab1_000849 OC(=O)c1ccccc1SC/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G14 compound treatment 0.395 0.004 0.15 0.396 0.00461 0.3 0.3149 0.9467 1273147 IFLab1_000850 N=c1oc2ccccc2cc1c3nc4ccccc4c(=O)[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G15 compound treatment 0.404 0.013 0.48 0.41 0.0186 1.2 1.1893 0.9179 2066198 IFLab1_000851 CCOc1ccc(cc1)c2cnc3CCCn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G16 compound treatment 0.43 0.039 1.43 0.429 0.0376 2.43 2.7338 0.968 1346128 IFLab1_000852 COC(=O)c1cccc(n1)C(=O)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G17 compound treatment 0.403 0.012 0.44 0.408 0.0166 1.08 1.0718 0.9225 1707205 IFLab1_000853 COC(=O)C(C)NC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G18 compound treatment 0.403 0.012 0.44 0.403 0.0116 0.75 0.843 0.9677 1139849 IFLab1_000854 Clc1ccc(cc1)S(=O)(=O)NCc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G19 compound treatment 0.435 0.044 1.62 0.431 0.0396 2.56 2.9551 0.9752 2066199 IFLab1_000855 OC(=O)Cc1sc(Nc2ccccc2)nc1c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G20 compound treatment 0.372 -0.019 -0.7 0.387 -0.00439 -0.28 -0.6941 -0.9215 2066200 IFLab1_000856 FC(F)(F)c1cccc(NC(=O)c2ccc(Br)o2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G21 compound treatment 0.395 0.004 0.15 0.396 0.00461 0.3 0.3149 0.9467 2066201 IFLab1_000857 COc1ccc2N3C(=NCCS3(=O)=O)Sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G22 compound treatment 0.395 0.004 0.15 0.395 0.00361 0.23 0.2692 0.9749 1547942 IFLab1_000858 Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G23 mock treatment 0.393 0.002 0.07 0.394 0.00261 0.17 0.1715 0.9303 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 G24 mock treatment 0.396 0.005 0.18 0.387 -0.00439 -0.28 -0.0709 -0.2097 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H01 compound treatment 0.4 0.009 0.33 0.397 0.00561 0.36 0.4905 0.9989 1539766 IFLab1_000859 Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H02 compound treatment 0.392 0.001 0.04 0.397 0.00561 0.36 0.2828 0.7746 2066202 IFLab1_000860 CC(=O)Nc1cccc(c1)C(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H03 compound treatment 0.399 0.008 0.29 0.399 0.00761 0.49 0.5561 0.9695 2066203 IFLab1_000861 CCOC(=O)c1c(C)oc(N)c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H04 compound treatment 0.454 0.063 2.31 0.456 0.0646 4.18 4.5924 0.961 1429241 IFLab1_000862 CC(=O)Nc1ccc(O)c(c1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H05 compound treatment 0.431 0.04 1.47 0.452 0.0606 3.92 3.8122 0.9102 1367455 IFLab1_000863 Cc1cccc(c1)C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H06 compound treatment 0.399 0.008 0.29 0.397 0.00561 0.36 0.4646 0.9945 2066204 IFLab1_000864 Cc1csc(=NC(=O)c2ccccc2)n1c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H07 compound treatment 0.401 0.01 0.37 0.405 0.0136 0.88 0.8826 0.9247 1371413 IFLab1_000865 O=C(Nn1cnnc1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H08 compound treatment 0.438 0.047 1.73 0.425 0.0336 2.18 2.7585 0.9934 1695119 IFLab1_000866 Fc1cccc(F)c1C(=O)Nc2nc3c(Cl)cccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H09 compound treatment 0.412 0.021 0.77 0.413 0.0216 1.4 1.5343 0.9606 2066205 IFLab1_000867 COC(=O)NC1Sc2ccccc2N=C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H10 compound treatment 0.399 0.008 0.29 0.406 0.0146 0.95 0.8764 0.8851 1864904 IFLab1_000868 OC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H11 compound treatment 0.396 0.005 0.18 0.398 0.00661 0.43 0.4324 0.9286 2066206 IFLab1_000869 CN=S(=O)(Nc1ccccc1)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H12 compound treatment 0.395 0.004 0.15 0.397 0.00561 0.36 0.3607 0.9206 1719046 IFLab1_000870 CC(NC(=O)Cc1ccccc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H13 compound treatment 0.403 0.012 0.44 0.403 0.0116 0.75 0.843 0.9677 1920032 IFLab1_000871 CCOC(=O)CSc1ccc2ccccc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H14 compound treatment 0.397 0.006 0.22 0.401 0.00961 0.62 0.5957 0.9026 1168264 IFLab1_000872 OC(=O)C1CCN(CC1)S(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H15 compound treatment 0.406 0.015 0.55 0.403 0.0116 0.75 0.9209 0.9883 1731533 IFLab1_000873 CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H16 compound treatment 0.378 -0.013 -0.48 0.37 -0.0214 -1.38 -1.3162 -0.899 1435420 IFLab1_000874 COc1ccccc1N2CCN(Cc3c(O)ccc4ccccc34)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H17 compound treatment 0.445 0.054 1.98 0.44 0.0486 3.15 3.6266 0.9752 2066207 IFLab1_000875 NC1=C(C#N)C(C2CCCCC2)C(=C(N)S1)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H18 compound treatment 0.473 0.082 3.01 0.481 0.0896 5.8 6.2298 0.9534 1654724 IFLab1_000876 Cc1cc(nc2ccccc12)n3ncc(C#N)c3N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H19 compound treatment 0.435 0.044 1.62 0.463 0.0716 4.63 4.4194 0.9005 1276166 IFLab1_000877 Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H20 compound treatment 0.401 0.01 0.37 0.4 0.00861 0.56 0.6538 0.9795 1459080 IFLab1_000878 CCN(c1ccccc1)S(=O)(=O)c2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H21 compound treatment 0.371 -0.02 -0.73 0.377 -0.0144 -0.93 -1.1777 -0.9931 2066208 IFLab1_000879 Cc1nc2cc(ccc2[nH]1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H22 compound treatment 0.401 0.01 0.37 0.397 0.00561 0.36 0.5165 1.0 1472629 IFLab1_000880 O=C(Cc1cccc2ccccc12)N3CCN(Cc4ccccc4)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H23 mock treatment 0.401 0.01 0.37 0.402 0.0106 0.69 0.7453 0.957 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 H24 mock treatment 0.406 0.015 0.55 0.392 6.13E-4 0.04 0.4175 0.7561 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I01 compound treatment 0.411 0.02 0.73 0.396 0.00461 0.3 0.7304 0.9213 2066209 IFLab1_000881 Cc1ccc(/C=C\2/SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I02 compound treatment 0.42 0.029 1.06 0.415 0.0236 1.53 1.8335 0.9844 1634133 IFLab1_000882 Nc1nc(c(s1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I03 compound treatment 0.408 0.017 0.62 0.409 0.0176 1.14 1.2474 0.9599 1438750 IFLab1_000883 CC(C)CNC(=O)COc1ccc2ccccc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I04 compound treatment 0.409 0.018 0.66 0.414 0.0226 1.46 1.5021 0.9355 1154208 IFLab1_000884 O=C1CCCN1c2sc3CCCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I05 compound treatment 0.404 0.013 0.48 0.414 0.0226 1.46 1.3723 0.8915 1095704 IFLab1_000885 O=C(CSc1nc(c(o1)c2ccccc2)c3ccccc3)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I06 compound treatment 0.406 0.015 0.55 0.42 0.0286 1.85 1.6988 0.8794 1564129 IFLab1_000886 COc1ccc2c(C)cc(SCC#N)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I07 compound treatment 0.402 0.011 0.4 0.412 0.0206 1.33 1.2288 0.8817 2066210 IFLab1_000887 COc1ccc(cc1)C(=O)CSc2ncccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I08 compound treatment 0.416 0.025 0.92 0.408 0.0166 1.08 1.4093 0.9969 1008544 IFLab1_000888 COc1ccc(CC#N)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I09 compound treatment 0.415 0.024 0.88 0.414 0.0226 1.46 1.6579 0.9705 2066211 IFLab1_000889 O=C(OCc1nc2ccccc2s1)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I10 compound treatment 0.469 0.078 2.86 0.472 0.0806 5.22 5.7141 0.9601 1592383 IFLab1_000890 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CSc2nnnn2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I11 compound treatment 0.404 0.013 0.48 0.41 0.0186 1.2 1.1893 0.9179 1326458 IFLab1_000891 OC(=O)CCC(=O)Nc1cccc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I12 compound treatment 0.463 0.072 2.64 0.455 0.0636 4.12 4.7804 0.9771 1047487 IFLab1_000892 Cc1ccc(cc1)S(=O)(=O)N2C=Cc3ccccc3C2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I13 compound treatment 0.472 0.081 2.97 0.473 0.0816 5.28 5.8377 0.9631 2066212 IFLab1_000893 O=C(OC/C=C/c1ccccc1)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I14 compound treatment 0.406 0.015 0.55 0.406 0.0146 0.95 1.0582 0.9669 2066213 IFLab1_000894 Cc1ccc(cc1)C(=O)Cn2cncn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I15 compound treatment 0.431 0.04 1.47 0.432 0.0406 2.63 2.897 0.9622 1310409 IFLab1_000895 Clc1ccc(cc1)C(=O)c2cnc3CCCn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I16 compound treatment 0.4 0.009 0.33 0.405 0.0136 0.88 0.8566 0.9104 1529319 IFLab1_000896 COC(=O)c1cccc(n1)C(=O)Nc2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I17 compound treatment 0.419 0.028 1.03 0.408 0.0166 1.08 1.4872 0.9998 1244491 IFLab1_000897 CC(CO)NCC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I18 compound treatment 0.409 0.018 0.66 0.409 0.0176 1.14 1.2733 0.9664 1550073 IFLab1_000898 CN(C)CCOC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I19 compound treatment 0.401 0.01 0.37 0.413 0.0216 1.4 1.2486 0.8635 1254871 IFLab1_000899 CCc1nnc2c3cnn(c4ccccc4)c3ncn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I20 compound treatment 0.404 0.013 0.48 0.402 0.0106 0.69 0.8232 0.9842 1686352 IFLab1_000900 CC1CCN(CC1)C(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I21 compound treatment 0.402 0.011 0.4 0.4 0.00861 0.56 0.6797 0.9875 1324070 IFLab1_000901 C1CN(CCO1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I22 compound treatment 0.413 0.022 0.81 0.416 0.0246 1.59 1.6975 0.9505 2066214 IFLab1_000902 Brc1ccc(o1)C(=O)Oc2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I23 mock treatment 0.405 0.014 0.51 0.402 0.0106 0.69 0.8492 0.9898 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 I24 mock treatment 0.407 0.016 0.59 0.392 6.13E-4 0.04 0.4435 0.7531 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J01 compound treatment 0.391 0.0 0.0 0.388 -0.00339 -0.22 -0.155 -0.7071 1589564 IFLab1_000903 COc1ccc(Cl)cc1S(=O)(=O)NCc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J02 compound treatment 0.404 0.013 0.48 0.406 0.0146 0.95 1.0062 0.9499 2066215 IFLab1_000904 ClC(=Cc1nc2ccccc2s1)Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J03 compound treatment 0.404 0.013 0.48 0.4 0.00861 0.56 0.7317 0.997 1255108 IFLab1_000905 CCOc1ccc(c2ccccc12)S(=O)(=O)NCc3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J04 compound treatment 0.363 -0.028 -1.03 0.363 -0.0284 -1.84 -2.026 -0.9624 1662205 IFLab1_000906 CC(C)(C)C(=O)Nc1ccc(O)c(c1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J05 compound treatment 0.4 0.009 0.33 0.403 0.0116 0.75 0.7651 0.9319 1538879 IFLab1_000907 COc1cccc(OC)c1C(=O)Nc2ccc(Br)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J06 compound treatment 0.44 0.049 1.8 0.454 0.0626 4.05 4.1374 0.9332 1596098 IFLab1_000908 Clc1ccc(cc1)c2csc(NCC=C)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J07 compound treatment 0.399 0.008 0.29 0.395 0.00361 0.23 0.3731 0.9936 2066216 IFLab1_000909 Cc1ccsc1/C=N/c2ccc(Cl)cn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J08 compound treatment 0.4 0.009 0.33 0.402 0.0106 0.69 0.7193 0.9438 1702801 IFLab1_000910 CC(C)C(=O)Nc1ccc(Cl)c(c1)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J09 compound treatment 0.404 0.013 0.48 0.404 0.0126 0.82 0.9147 0.9674 2066217 IFLab1_000911 CC1=C(C)CS(=O)N(C1)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J10 compound treatment 0.399 0.008 0.29 0.401 0.00961 0.62 0.6476 0.9413 1864905 IFLab1_000912 OC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J11 compound treatment 0.461 0.07 2.57 0.459 0.0676 4.38 4.9115 0.9679 2066218 IFLab1_000913 Clc1ccc(SCn2c(=S)sc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J12 compound treatment 0.389 -0.002 -0.07 0.395 0.00361 0.23 0.1134 0.4627 2066219 IFLab1_000914 OC(=O)/C=C/c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J13 compound treatment 0.402 0.011 0.4 0.411 0.0196 1.27 1.1831 0.8883 1715445 IFLab1_000915 Nc1nc(cs1)c2ccc(NC(=O)c3ccccc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J14 compound treatment 0.39 -0.001 -0.04 0.398 0.00661 0.43 0.2766 0.6441 1467660 IFLab1_000916 OC(=O)C1CCCCN1S(=O)(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J15 compound treatment 0.511 0.12 4.41 0.443 0.0516 3.34 5.4777 0.9907 2066220 IFLab1_000917 Cc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c(C)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J16 compound treatment 0.362 -0.029 -1.06 0.369 -0.0224 -1.45 -1.7774 -0.9885 2066221 IFLab1_000918 Cc1[nH]nc(c1c2nc3ccccc3s2)c4ccc(O)cc4O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J17 compound treatment 0.43 0.039 1.43 0.413 0.0216 1.4 2.0017 0.9999 2066222 IFLab1_000919 CCOC(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J18 compound treatment 0.495 0.104 3.82 0.449 0.0576 3.73 5.3368 0.9999 2066223 IFLab1_000920 Cc1cc(N)n(n1)c2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J19 compound treatment 0.401 0.01 0.37 0.398 0.00661 0.43 0.5623 0.9971 2066224 IFLab1_000921 CN(Cc1ccccc1)c2cc(C)ncn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J20 compound treatment 0.459 0.068 2.5 0.436 0.0446 2.89 3.8071 0.9974 2066225 IFLab1_000922 O=C(CSc1ncnc2sc3CCCCc3c12)Nc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J21 compound treatment 0.395 0.004 0.15 0.396 0.00461 0.3 0.3149 0.9467 2066226 IFLab1_000923 Cc1nc2cc(ccc2s1)S(=O)(=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J22 compound treatment 0.394 0.003 0.11 0.394 0.00261 0.17 0.1975 0.9785 2066227 IFLab1_000924 O=C(Cc1cccc2ccccc12)NCCCN3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J23 mock treatment 0.388 -0.003 -0.11 0.388 -0.00339 -0.22 -0.2329 -0.9493 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 J24 mock treatment 0.396 0.005 0.18 0.389 -0.00239 -0.15 0.0206 0.0859 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K01 compound treatment 0.395 0.004 0.15 0.403 0.0116 0.75 0.6353 0.8296 2066228 IFLab1_000925 CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)/C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K02 compound treatment 0.404 0.013 0.48 0.414 0.0226 1.46 1.3723 0.8915 2066229 IFLab1_000926 Clc1cc(c2ccccc2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K03 compound treatment 0.42 0.029 1.06 0.42 0.0286 1.85 2.0623 0.9655 2066230 IFLab1_000927 Brc1ccc(OCC(=O)Oc2ccc(C#N)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K04 compound treatment 0.433 0.042 1.54 0.435 0.0436 2.82 3.0862 0.9596 1721773 IFLab1_000928 OC(=O)c1c(NC(=O)c2ccccc2)sc3CCCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K05 compound treatment 0.409 0.018 0.66 0.414 0.0226 1.46 1.5021 0.9355 1153573 IFLab1_000929 O=C(CSc1nc(c(o1)c2ccccc2)c3ccccc3)N4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K06 compound treatment 0.417 0.026 0.95 0.42 0.0286 1.85 1.9844 0.9525 2066231 IFLab1_000930 CCOC(=O)c1c(NC(=O)c2ccco2)scc1c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K07 compound treatment 0.395 0.004 0.15 0.407 0.0156 1.01 0.8183 0.8015 2066232 IFLab1_000931 O=C(CSc1ncccn1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K08 compound treatment 0.468 0.077 2.83 0.469 0.0776 5.02 5.5508 0.9631 1010920 IFLab1_000932 Nc1ccccc1C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K09 compound treatment 0.412 0.021 0.77 0.412 0.0206 1.33 1.4885 0.9661 1618688 IFLab1_000933 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N=c2sc3cc(C)ccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K10 compound treatment 0.413 0.022 0.81 0.416 0.0246 1.59 1.6975 0.9505 1047471 IFLab1_000934 O=C(CS(=O)(=O)CC(=O)c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K11 compound treatment 0.398 0.007 0.26 0.402 0.0106 0.69 0.6674 0.9101 1606914 IFLab1_000935 OC(=O)CCC(=O)Nc1ccc(Br)cn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K12 compound treatment 0.436 0.045 1.65 0.417 0.0256 1.66 2.3405 1.0 1175259 IFLab1_000936 Clc1ccc(cc1)C(=O)N2CCC(=O)c3cc4ccccc4cc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K13 compound treatment 0.396 0.005 0.18 0.41 0.0186 1.2 0.9815 0.8056 2066233 IFLab1_000937 COc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K14 compound treatment 0.405 0.014 0.51 0.411 0.0196 1.27 1.261 0.9209 1316988 IFLab1_000938 OCc1nc(CO)n(Cc2ccccc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K15 compound treatment 0.402 0.011 0.4 0.402 0.0106 0.69 0.7713 0.968 2066234 IFLab1_000939 Brc1ccc(cc1)c2cnc3CCCCn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K16 compound treatment 0.401 0.01 0.37 0.41 0.0186 1.2 1.1114 0.8826 1257868 IFLab1_000940 COC(=O)c1nc(O)c2ccccc2c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K17 compound treatment 0.398 0.007 0.26 0.402 0.0106 0.69 0.6674 0.9101 1431440 IFLab1_000941 CC1(C)CC(=O)C2=C(C1)Nc3ncnn3C2c4ccncc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K18 compound treatment 0.458 0.067 2.46 0.429 0.0376 2.43 3.4608 1.0 1164420 IFLab1_000942 Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)Nc3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K19 compound treatment 0.403 0.012 0.44 0.396 0.00461 0.3 0.5227 0.982 2066235 IFLab1_000943 O=C(CSc1nnnn1c2ccccc2)Nc3ccc(cc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K20 compound treatment 0.395 0.004 0.15 0.403 0.0116 0.75 0.6353 0.8296 1254000 IFLab1_000944 CCOc1ccc(cc1)C(=O)NC2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K21 compound treatment 0.398 0.007 0.26 0.4 0.00861 0.56 0.5759 0.9382 1563387 IFLab1_000945 COC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K22 compound treatment 0.445 0.054 1.98 0.449 0.0576 3.73 4.0384 0.9563 1251633 IFLab1_000946 CC(C)COc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K23 mock treatment 0.393 0.002 0.07 0.393 0.00161 0.1 0.1257 0.9852 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 K24 mock treatment 0.397 0.006 0.22 0.397 0.00561 0.36 0.4126 0.9713 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L01 compound treatment 0.4 0.009 0.33 0.413 0.0216 1.4 1.2227 0.8508 1467605 IFLab1_000947 COc1ccc(Cl)cc1S(=O)(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L02 compound treatment 0.403 0.012 0.44 0.402 0.0106 0.69 0.7972 0.977 2066236 IFLab1_000948 Cc1ccc(O)c(c1)C(N)(C(F)(F)F)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L03 compound treatment 0.415 0.024 0.88 0.421 0.0296 1.92 1.9782 0.9379 2066237 IFLab1_000949 Cc1cn(cn1)S(=O)(=O)c2ccc(Br)c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L04 compound treatment 0.444 0.053 1.95 0.47 0.0786 5.09 4.9734 0.9131 1529937 IFLab1_000950 Oc1ccc(NC(=O)Cc2ccccc2)cc1c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L05 compound treatment 0.411 0.02 0.73 0.412 0.0206 1.33 1.4625 0.9605 1462872 IFLab1_000951 CC(C)c1nccn1C(=O)c2ccccc2C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L06 compound treatment 0.402 0.011 0.4 0.401 0.00961 0.62 0.7255 0.9781 1915820 IFLab1_000952 CC(=O)N=c1scc(c2ccccc2)n1c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L07 compound treatment 0.401 0.01 0.37 0.401 0.00961 0.62 0.6995 0.9684 1702422 IFLab1_000953 COc1ccc(cc1)S(=O)(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L08 compound treatment 0.405 0.014 0.51 0.397 0.00561 0.36 0.6204 0.9855 1383579 IFLab1_000954 CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3cccc(C)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L09 compound treatment 0.416 0.025 0.92 0.408 0.0166 1.08 1.4093 0.9969 2066238 IFLab1_000955 Clc1ccc(cc1)S(=O)(=O)/C(=C\c2ccccc2)/NC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L10 compound treatment 0.401 0.01 0.37 0.402 0.0106 0.69 0.7453 0.957 2066239 IFLab1_000956 Cc1cc(C)nc(Nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L11 compound treatment 0.405 0.014 0.51 0.408 0.0166 1.08 1.1237 0.943 1261562 IFLab1_000957 CC(=O)NC(Sc1ccc(Cl)cc1)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L12 compound treatment 0.405 0.014 0.51 0.409 0.0176 1.14 1.1695 0.9353 2066240 IFLab1_000958 FC(F)(F)c1ccc(nc1)n2cc(ccc2=O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L13 compound treatment 0.419 0.028 1.03 0.416 0.0246 1.59 1.8533 0.9776 2066241 IFLab1_000959 COc1ccc(cc1)n2ccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L14 compound treatment 0.465 0.074 2.72 0.454 0.0626 4.05 4.7866 0.9811 1119664 IFLab1_000960 CC1CCN(CC1)S(=O)(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L15 compound treatment 0.416 0.025 0.92 0.407 0.0156 1.01 1.3636 0.9989 1498580 IFLab1_000961 COc1ccc(cc1)C(=O)CSC2=C(C#N)C(CC(=O)N2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L16 compound treatment 0.398 0.007 0.26 0.42 0.0286 1.85 1.491 0.7976 1197423 IFLab1_000962 O=C(Nc1cc(ncn1)N2CCOCC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L17 compound treatment 0.458 0.067 2.46 0.442 0.0506 3.28 4.0557 0.9901 2066242 IFLab1_000963 CCc1c(C#N)c(N)nc(SCC#N)c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L18 compound treatment 0.468 0.077 2.83 0.432 0.0406 2.63 3.8578 0.9993 1639361 IFLab1_000964 COc1ccc2c(C)cc(SCC(=O)Nc3ccc4OCOc4c3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L19 compound treatment 0.408 0.017 0.62 0.399 0.00761 0.49 0.7898 0.9931 1243635 IFLab1_000965 COc1ccc(Nc2cc(C)ncn2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L20 compound treatment 0.494 0.103 3.78 0.48 0.0886 5.73 6.7293 0.9796 1273163 IFLab1_000966 COc1ccc2c(C)cc(SCC(=O)Nc3ccccc3)nc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L21 compound treatment 0.395 0.004 0.15 0.406 0.0146 0.95 0.7725 0.8073 2066243 IFLab1_000967 CC1(C)CC(=O)C(SC(F)(F)F)C(=O)C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L22 compound treatment 0.396 0.005 0.18 0.394 0.00261 0.17 0.2494 0.9992 1259132 IFLab1_000968 Cc1[nH]c2ccccc2c1C(=O)CSc3nnnn3c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L23 mock treatment 0.399 0.008 0.29 0.405 0.0136 0.88 0.8306 0.8945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 L24 mock treatment 0.39 -0.001 -0.04 0.401 0.00961 0.62 0.4139 0.6642 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M01 compound treatment 0.396 0.005 0.18 0.402 0.0106 0.69 0.6155 0.8657 2066244 IFLab1_000969 Oc1cccc(/C=C/2\SC(=S)N(C2=O)c3ccccc3O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M02 compound treatment 0.423 0.032 1.18 0.403 0.0116 0.75 1.3623 0.9767 1608089 IFLab1_000970 CC(C)(C)C(=O)Nc1sc2CCCCc2c1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M03 compound treatment 0.398 0.007 0.26 0.399 0.00761 0.49 0.5301 0.954 1443155 IFLab1_000971 O=C(COc1ccccc1)NC2CCS(=O)(=O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M04 compound treatment 0.417 0.026 0.95 0.419 0.0276 1.79 1.9386 0.9569 1299013 IFLab1_000972 CCOC(=O)c1c(N)sc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M05 compound treatment 0.42 0.029 1.06 0.451 0.0596 3.86 3.4808 0.8698 1175751 IFLab1_000973 COC(=O)CSc1nc(c(o1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M06 compound treatment 0.407 0.016 0.59 0.412 0.0206 1.33 1.3587 0.9322 2066245 IFLab1_000974 OCCSc1ncnc2sc3CCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M07 compound treatment 0.411 0.02 0.73 0.41 0.0186 1.2 1.371 0.9719 2066246 IFLab1_000975 Cc1nc2ccccc2nc1SCC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M08 compound treatment 0.418 0.027 0.99 0.413 0.0216 1.4 1.6901 0.9858 1280132 IFLab1_000976 CN1CCN(CC1)c2nc(c3ccccc3)c4ccccc4n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M09 compound treatment 0.401 0.01 0.37 0.408 0.0166 1.08 1.0198 0.8977 1536713 IFLab1_000977 COc1ccc(C(=O)N=c2sc3cc(C)ccc3n2C)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M10 compound treatment 0.413 0.022 0.81 0.412 0.0206 1.33 1.5145 0.9711 1587062 IFLab1_000978 CCOC(=O)C1=C(CC)NC2=C(C1c3cc(OC)ccc3OC)C(=O)CC(C)(C)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M11 compound treatment 0.408 0.017 0.62 0.399 0.00761 0.49 0.7898 0.9931 1203340 IFLab1_000979 Cc1cc2NC(CC(=O)NCc3ccccc3)C(=O)Nc2cc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M12 compound treatment 0.524 0.133 4.88 0.52 0.129 8.32 9.3386 0.9677 1162320 IFLab1_000980 O=C1C(C(=O)c2ccccc12)c3ccncc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M13 compound treatment 0.428 0.037 1.36 0.434 0.0426 2.76 2.9106 0.9468 2066247 IFLab1_000981 O=C(COC(=O)/C=C/c1ccco1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M14 compound treatment 0.399 0.008 0.29 0.404 0.0126 0.82 0.7849 0.9048 1418088 IFLab1_000982 Cc1ccc(cc1)S(=O)(=O)NCc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M15 compound treatment 0.396 0.005 0.18 0.397 0.00561 0.36 0.3867 0.9501 1431241 IFLab1_000983 OC(=O)CCCC(=O)Nc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M16 compound treatment 0.401 0.01 0.37 0.404 0.0126 0.82 0.8368 0.935 1159607 IFLab1_000984 O=C(NCC1NCCc2ccccc12)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M17 compound treatment 0.398 0.007 0.26 0.401 0.00961 0.62 0.6216 0.9236 1481431 IFLab1_000985 O=S(=O)(NCC1CCCO1)c2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M18 compound treatment 0.531 0.14 5.14 0.482 0.0906 5.86 7.7816 0.9979 1165794 IFLab1_000986 Nc1nc(cs1)c2cc3cc(Br)ccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M19 compound treatment 0.399 0.008 0.29 0.401 0.00961 0.62 0.6476 0.9413 1391031 IFLab1_000987 Oc1cc(CN2CCCCCC2)c(O)cc1CN3CCCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M20 compound treatment 0.398 0.007 0.26 0.408 0.0166 1.08 0.9419 0.8522 2066248 IFLab1_000988 FC(F)(F)c1ccccc1N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M21 compound treatment 0.407 0.016 0.59 0.41 0.0186 1.2 1.2672 0.9455 1918943 IFLab1_000989 OC(=O)CSc1ncnc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M22 compound treatment 0.398 0.007 0.26 0.401 0.00961 0.62 0.6216 0.9236 1720082 IFLab1_000990 COc1cccc(OCC(=O)OC2CCS(=O)(=O)C2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M23 mock treatment 0.394 0.003 0.11 0.39 -0.00139 -0.09 0.0144 0.1015 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 M24 mock treatment 0.391 0.0 0.0 0.395 0.00361 0.23 0.1653 0.7071 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N01 compound treatment 0.398 0.007 0.26 0.407 0.0156 1.01 0.8962 0.8596 1402173 IFLab1_000991 CCOc1ccc(OCC)c(c1)S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N02 compound treatment 0.392 0.001 0.04 0.394 0.00261 0.17 0.1455 0.8411 2066249 IFLab1_000992 Cc1sc[n+](Cc2ccccc2)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N03 compound treatment 0.408 0.017 0.62 0.406 0.0146 0.95 1.1101 0.9797 2066250 IFLab1_000993 Cc1ccc(cc1C)S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N04 compound treatment 0.398 0.007 0.26 0.399 0.00761 0.49 0.5301 0.954 1385003 IFLab1_000994 CC(C)C(=O)Nc1ccc(C)cc1C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N05 compound treatment 0.399 0.008 0.29 0.404 0.0126 0.82 0.7849 0.9048 1618967 IFLab1_000995 COc1ccc(OC)c(c1)S(=O)(=O)NCc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N06 compound treatment 0.417 0.026 0.95 0.421 0.0296 1.92 2.0302 0.9482 1447645 IFLab1_000996 COc1ccccc1Nc2nc(C)cs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N07 compound treatment 0.395 0.004 0.15 0.402 0.0106 0.69 0.5895 0.8394 1265647 IFLab1_000997 COc1cccc(OC)c1C(=O)Nc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N08 compound treatment 0.395 0.004 0.15 0.402 0.0106 0.69 0.5895 0.8394 1347203 IFLab1_000998 CCOC(=O)COc1nc(nc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N09 compound treatment 0.391 0.0 0.0 0.398 0.00661 0.43 0.3026 0.7071 2066251 IFLab1_000999 OP(=O)(/C(=C\c1ccccc1)/NC(=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N10 compound treatment 0.396 0.005 0.18 0.397 0.00561 0.36 0.3867 0.9501 1783522 IFLab1_001000 O=S(=O)(NC1CCS(=O)(=O)C1)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N11 compound treatment 0.494 0.103 3.78 0.497 0.106 6.83 7.5072 0.9611 1478277 IFLab1_001001 Nc1sc2CCCCc2c1c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N12 compound treatment 0.403 0.012 0.44 0.398 0.00661 0.43 0.6142 0.9999 1140164 IFLab1_001002 CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N13 compound treatment 0.409 0.018 0.66 0.41 0.0186 1.2 1.3191 0.9601 1441266 IFLab1_001003 OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N14 compound treatment 0.419 0.028 1.03 0.4 0.00861 0.56 1.1212 0.9586 1561953 IFLab1_001004 CC1CCCN(C1)S(=O)(=O)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N15 compound treatment 0.397 0.006 0.22 0.409 0.0176 1.14 0.9617 0.8285 1511809 IFLab1_001005 CCOC(=O)C1=C(C)NC(=C(C#N)C1CC(C)C)SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N16 compound treatment 0.404 0.013 0.48 0.401 0.00961 0.62 0.7774 0.9915 2066252 IFLab1_001006 Oc1nc(nc2ccccc12)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N17 compound treatment 0.468 0.077 2.83 0.46 0.0686 4.44 5.139 0.9763 2066253 IFLab1_001007 Nc1nc(SCC#N)c(C#N)c(c2cccs2)c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N18 compound treatment 0.451 0.06 2.2 0.424 0.0326 2.11 3.0503 0.9998 2066254 IFLab1_001008 Nc1c(C#N)cnn1c2ccc(cn2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N19 compound treatment 0.395 0.004 0.15 0.396 0.00461 0.3 0.3149 0.9467 1146626 IFLab1_001009 Cc1cc(NCc2ccco2)ncn1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N20 compound treatment 0.419 0.028 1.03 0.425 0.0336 2.18 2.2651 0.9415 2066255 IFLab1_001010 Cc1nc(SCCO)c2c3CCCCc3sc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N21 compound treatment 0.398 0.007 0.26 0.4 0.00861 0.56 0.5759 0.9382 2066256 IFLab1_001011 OC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N22 compound treatment 0.398 0.007 0.26 0.399 0.00761 0.49 0.5301 0.954 1668611 IFLab1_001012 Cc1[nH]c2ccccc2c1c3csc(N)n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N23 mock treatment 0.395 0.004 0.15 0.393 0.00161 0.1 0.1777 0.986 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 N24 mock treatment 0.386 -0.005 -0.18 0.397 0.00561 0.36 0.127 0.3121 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O01 compound treatment 0.469 0.078 2.86 0.451 0.0596 3.86 4.7532 0.9893 2066257 IFLab1_001013 CCCC(N1C(=O)/C(=C/c2ccc(O)c(OCC)c2)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O02 compound treatment 0.428 0.037 1.36 0.426 0.0346 2.24 2.5446 0.9713 1703333 IFLab1_001014 CC(C)(C)c1nc2sc3CCCCc3c2c(=O)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O03 compound treatment 0.398 0.007 0.26 0.394 0.00261 0.17 0.3013 0.9794 1529241 IFLab1_001015 CC(NC(=O)C1(CC2CC3CC(C2)C1)C3)C(=O)N4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O04 compound treatment 0.404 0.013 0.48 0.399 0.00761 0.49 0.6859 0.9999 1618285 IFLab1_001016 COc1ccc(cc1)C(=O)Nc2sc3CCCCc3c2CN(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O05 compound treatment 0.405 0.014 0.51 0.399 0.00761 0.49 0.7119 0.9998 2066258 IFLab1_001017 Oc1nc(c2ccccc2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O06 compound treatment 0.404 0.013 0.48 0.407 0.0156 1.01 1.052 0.9414 2066259 IFLab1_001018 CCc1nc2sccc2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O07 compound treatment 0.395 0.004 0.15 0.401 0.00961 0.62 0.5437 0.8507 1582358 IFLab1_001019 O=C(CSc1nncc2ccccc12)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O08 compound treatment 0.428 0.037 1.36 0.421 0.0296 1.92 2.3158 0.9858 2066260 IFLab1_001020 NNc1nc(c2ccccc2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O09 compound treatment 0.403 0.012 0.44 0.4 0.00861 0.56 0.7057 0.9932 2066261 IFLab1_001021 Cc1ccc2n(C)c(=NC(=O)c3cccs3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O10 compound treatment 0.398 0.007 0.26 0.395 0.00361 0.23 0.3471 0.9989 1101412 IFLab1_001022 CC1C(NC(C(C)C1=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O11 compound treatment 0.408 0.017 0.62 0.404 0.0126 0.82 1.0186 0.9912 1408775 IFLab1_001023 COc1ccc(NC2CC(=O)N(Cc3ccccc3)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O12 compound treatment 0.402 0.011 0.4 0.4 0.00861 0.56 0.6797 0.9875 1155862 IFLab1_001024 OC(=O)c1ccc(C(=O)O)c(c1)C(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O13 compound treatment 0.395 0.004 0.15 0.403 0.0116 0.75 0.6353 0.8296 1565787 IFLab1_001025 O=c1oc2cc(OCc3ccccc3)ccc2cc1c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O14 compound treatment 0.4 0.009 0.33 0.403 0.0116 0.75 0.7651 0.9319 1547967 IFLab1_001026 CN(C)CCOC(=O)C1(CC2CC3C1)CC(C2)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O15 compound treatment 0.416 0.025 0.92 0.411 0.0196 1.27 1.5466 0.9874 2066262 IFLab1_001027 N(=c1[nH]c(cs1)c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O16 compound treatment 0.401 0.01 0.37 0.41 0.0186 1.2 1.1114 0.8826 2066263 IFLab1_001028 Nc1ccc(cc1)C(=O)OCCCc2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O17 compound treatment 0.397 0.006 0.22 0.399 0.00761 0.49 0.5042 0.9342 2066264 IFLab1_001029 CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc3CCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O18 compound treatment 0.402 0.011 0.4 0.403 0.0116 0.75 0.817 0.9576 1577258 IFLab1_001030 COc1cc2CC(C)(C)n3c(C)nnc3-c2cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O19 compound treatment 0.407 0.016 0.59 0.402 0.0106 0.69 0.9011 0.997 1536183 IFLab1_001031 Nc1nc(c(CC(=O)O)s1)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O20 compound treatment 0.401 0.01 0.37 0.403 0.0116 0.75 0.791 0.9458 1438322 IFLab1_001032 CN(C)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O21 compound treatment 0.397 0.006 0.22 0.389 -0.00239 -0.15 0.0466 0.1731 1194533 IFLab1_001033 CCOC(=O)c1c(C)[nH]c(C(=O)CC#N)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O22 compound treatment 0.4 0.009 0.33 0.399 0.00761 0.49 0.582 0.9811 1527606 IFLab1_001034 COc1ccc(NC(=O)COc2cccc(OCC(C)C)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O23 mock treatment 0.398 0.007 0.26 0.387 -0.00439 -0.28 -0.019 -0.0496 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 O24 mock treatment 0.374 -0.017 -0.62 0.393 0.00161 0.1 -0.3676 -0.5808 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P01 compound treatment 0.365 -0.026 -0.95 0.389 -0.00239 -0.15 -0.7844 -0.811 1256291 IFLab1_001035 CCOc1ccc(OCC)c(c1)S(=O)(=O)N2CCN(CC2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P02 compound treatment 0.401 0.01 0.37 0.395 0.00361 0.23 0.425 0.9762 1131746 IFLab1_001036 Cc1ncc(CN2CCCCC2)c(N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P03 compound treatment 0.404 0.013 0.48 0.408 0.0166 1.08 1.0977 0.9332 2066265 IFLab1_001037 CCC1CCCCN1S(=O)(=O)c2c(C)cc(C)cc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P04 compound treatment 0.396 0.005 0.18 0.384 -0.00739 -0.48 -0.2082 -0.4066 1316159 IFLab1_001038 Cc1ccc(NC(=O)c2ccco2)c(c1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P05 compound treatment 0.406 0.015 0.55 0.41 0.0186 1.2 1.2412 0.9371 1726579 IFLab1_001039 O=C(NCc1cccnc1)c2cccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P06 compound treatment 0.398 0.007 0.26 0.406 0.0146 0.95 0.8504 0.8678 1142713 IFLab1_001040 COC(=O)Cc1csc(N)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P07 compound treatment 0.403 0.012 0.44 0.406 0.0146 0.95 0.9803 0.9396 1493096 IFLab1_001041 Brc1ccc(cc1)C(=O)NCc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P08 compound treatment 0.388 -0.003 -0.11 0.404 0.0126 0.82 0.4992 0.6062 2066266 IFLab1_001042 Oc1nc(c2ccc(Cl)cc2)c3ccccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P09 compound treatment 0.409 0.018 0.66 0.405 0.0136 0.88 1.0903 0.99 1448916 IFLab1_001043 CC(=O)Nc1sc(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P10 compound treatment 0.401 0.01 0.37 0.397 0.00561 0.36 0.5165 1.0 2066267 IFLab1_001044 OCCSc1nc2sc3CCCCc3c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P11 compound treatment 0.405 0.014 0.51 0.402 0.0106 0.69 0.8492 0.9898 1306282 IFLab1_001045 CC(C)c1ccc(cc1)S(=O)(=O)N2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P12 compound treatment 0.394 0.003 0.11 0.4 0.00861 0.56 0.472 0.8308 1448828 IFLab1_001046 O=C(Nc1cccc2ccccc12)C3CCCCN3S(=O)(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P13 compound treatment 0.399 0.008 0.29 0.403 0.0116 0.75 0.7391 0.916 1630696 IFLab1_001047 COc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P14 compound treatment 0.399 0.008 0.29 0.394 0.00261 0.17 0.3273 0.9656 2066268 IFLab1_001048 OC(=O)/C=C/C(=O)N1CCCC(C1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P15 compound treatment 0.413 0.022 0.81 0.424 0.0326 2.11 2.0636 0.9132 2066269 IFLab1_001049 CCc1ccc(cc1)C2C(=C(N)SC(=C2C#N)N)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P16 compound treatment 0.4 0.009 0.33 0.407 0.0156 1.01 0.9481 0.8919 2066270 IFLab1_001050 CSc1ncnc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P17 compound treatment 0.402 0.011 0.4 0.403 0.0116 0.75 0.817 0.9576 2066271 IFLab1_001051 CCCOC(=O)CSc1nc(C)cc(C)c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P18 compound treatment 0.393 0.002 0.07 0.395 0.00361 0.23 0.2173 0.8865 2066272 IFLab1_001052 O=C(CSc1nc2scc(c3ccccc3)c2c(=O)[nH]1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P19 compound treatment 0.401 0.01 0.37 0.406 0.0146 0.95 0.9283 0.9151 2066273 IFLab1_001053 CC(=O)N(/C=C/1\SC(=S)N(CC(F)(F)F)C1=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P20 compound treatment 0.389 -0.002 -0.07 0.407 0.0156 1.01 0.6625 0.654 2066274 IFLab1_001054 COc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P21 compound treatment 0.396 0.005 0.18 0.398 0.00661 0.43 0.4324 0.9286 2066275 IFLab1_001055 CCn1c(C)nc2cc(NC(=O)C(F)(F)F)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P22 compound treatment 0.396 0.005 0.18 0.399 0.00761 0.49 0.4782 0.9095 2066276 IFLab1_001056 Cc1nc(SCCC(=O)O)c2c3CCCCc3sc2n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P23 mock treatment 0.389 -0.002 -0.07 0.382 -0.00939 -0.61 -0.4815 -0.7869 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1414 P24 mock treatment 0.37 -0.021 -0.77 0.368 -0.0234 -1.51 -1.6154 -0.9511 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A01 compound treatment 0.361 -0.0287 -1.05 0.374 -0.0148 -0.96 -1.4233 -0.999 1468351 IFLab1_001057 C1CCc2c(C1)sc3ncnc(Oc4cccnc4)c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A02 compound treatment 0.375 -0.0147 -0.54 0.385 -0.00384 -0.25 -0.5565 -0.9385 2066277 IFLab1_001058 Oc1c(/C=N/c2cccnc2)c(=O)oc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A03 compound treatment 0.37 -0.0197 -0.72 0.368 -0.0208 -1.35 -1.4642 -0.9571 1405888 IFLab1_001059 CCOC(=O)c1c(NC(=O)C(C)(C)C)scc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A04 compound treatment 0.374 -0.0157 -0.57 0.377 -0.0118 -0.77 -0.9485 -0.99 1349352 IFLab1_001060 CC1CCc2sc(NC(=O)Cc3ccccc3)c(C(=O)N)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A05 compound treatment 0.373 -0.0167 -0.61 0.382 -0.00684 -0.44 -0.7457 -0.9874 2066278 IFLab1_001061 S=c1[nH]cnc2n(ncc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A06 compound treatment 0.377 -0.0127 -0.46 0.38 -0.00884 -0.57 -0.7333 -0.9947 1150492 IFLab1_001062 CCSc1nnc(NC(=O)C2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A07 compound treatment 0.371 -0.0187 -0.69 0.366 -0.0228 -1.48 -1.5297 -0.9389 1504404 IFLab1_001063 CCOC(=O)c1c(oc2ccc(O)c(CN(C)C)c12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A08 compound treatment 0.385 -0.00466 -0.17 0.386 -0.00284 -0.18 -0.251 -0.9993 1715117 IFLab1_001064 COc1cc(OC)cc(c1)C(=O)Nc2nnc(s2)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A09 compound treatment 0.368 -0.0217 -0.8 0.368 -0.0208 -1.35 -1.5161 -0.9682 1584865 IFLab1_001065 CCOC(=O)c1c(oc2ccc(O)c(CN3CCN(C)CC3)c12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A10 compound treatment 0.376 -0.0137 -0.5 0.39 0.00116 0.07 -0.3017 -0.595 2066279 IFLab1_001066 Clc1ccc(cc1)c2nnc(NC(=O)/C=C\c3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A11 compound treatment 0.397 0.00734 0.27 0.401 0.0122 0.79 0.7469 0.8982 1279363 IFLab1_001067 CCOC(=O)COc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A12 compound treatment 0.396 0.00634 0.23 0.392 0.00316 0.2 0.3091 0.9979 1250002 IFLab1_001068 COC(=O)C1=C(CCS1)NC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A13 compound treatment 0.481 0.0913 3.35 0.489 0.1 6.48 6.9548 0.953 1693583 IFLab1_001069 Cc1csc(n1)c2cc3ccc(O)c(CN4CCCC4)c3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A14 compound treatment 0.385 -0.00466 -0.17 0.384 -0.00484 -0.31 -0.3425 -0.9594 1436211 IFLab1_001070 COC(=O)C1=C(CCS1)NC(=O)COc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A15 compound treatment 0.379 -0.0107 -0.39 0.376 -0.0128 -0.83 -0.8644 -0.941 1139829 IFLab1_001071 COc1cccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A16 compound treatment 0.387 -0.00266 -0.1 0.386 -0.00284 -0.18 -0.1991 -0.9559 1559224 IFLab1_001072 Cc1ccc(cc1)c2nnc(NC(=O)COc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A17 compound treatment 0.38 -0.00966 -0.35 0.375 -0.0138 -0.9 -0.8842 -0.9177 1218799 IFLab1_001073 O=C(Nc1sc2CCCc2c1C#N)C3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A18 compound treatment 0.39 3.44E-4 0.01 0.383 -0.00584 -0.38 -0.2585 -0.6831 1248136 IFLab1_001074 CC1(C)CC(=O)c2sc(NC(=O)C3CCCCC3)nc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A19 compound treatment 0.368 -0.0217 -0.8 0.372 -0.0168 -1.09 -1.3331 -0.988 1169304 IFLab1_001075 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)C4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A20 compound treatment 0.388 -0.00166 -0.06 0.379 -0.00984 -0.64 -0.4934 -0.7711 1732906 IFLab1_001076 Cc1nc2ccc(NC(=O)c3ccc(cc3)N4C(=O)CCC4=O)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A21 compound treatment 0.379 -0.0107 -0.39 0.375 -0.0138 -0.9 -0.9102 -0.931 1461536 IFLab1_001077 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A22 compound treatment 0.38 -0.00966 -0.35 0.372 -0.0168 -1.09 -1.0215 -0.8912 2066280 IFLab1_001078 CC(C)(C)Nc1scc(c2ccccc2)[n+]1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A23 mock treatment 0.381 -0.00866 -0.32 0.373 -0.0158 -1.03 -0.9498 -0.8848 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 A24 mock treatment 0.37 -0.0197 -0.72 0.372 -0.0168 -1.09 -1.2811 -0.98 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B01 compound treatment 0.406 0.0163 0.6 0.4 0.0112 0.72 0.9349 0.9958 1359222 IFLab1_001079 Cc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B02 compound treatment 0.415 0.0253 0.93 0.416 0.0272 1.76 1.9007 0.9558 1724523 IFLab1_001080 Nc1ccc(cc1N)C(=O)c2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B03 compound treatment 0.409 0.0193 0.71 0.411 0.0222 1.43 1.5161 0.9475 1187088 IFLab1_001081 Clc1ccc(cc1)c2csc(NC(=O)COc3ccccc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B04 compound treatment 0.383 -0.00666 -0.24 0.377 -0.0118 -0.77 -0.7148 -0.8885 1137914 IFLab1_001082 COc1ccc(Nc2ccnc3ccccc23)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B05 compound treatment 0.421 0.0313 1.15 0.419 0.0302 1.95 2.1938 0.9683 2066281 IFLab1_001083 CCCC(=O)Nc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B06 compound treatment 0.398 0.00834 0.31 0.4 0.0112 0.72 0.7271 0.9272 1210687 IFLab1_001084 Cc1ccnc(NC(=O)C2CCCCC2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B07 compound treatment 0.409 0.0193 0.71 0.402 0.0132 0.85 1.1043 0.9959 1334135 IFLab1_001085 O=C(NCc1ccccc1)c2cc3c(ccc4ccccc43)oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B08 compound treatment 0.412 0.0223 0.82 0.407 0.0182 1.17 1.411 0.9846 1983536 IFLab1_001086 CCOC(=O)C(N)CSC1CCCCO1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B09 compound treatment 0.414 0.0243 0.89 0.407 0.0182 1.17 1.4629 0.9909 2066282 IFLab1_001087 COc1ccc(/N=C/2\NC(=O)C(Cc3ccc(C)cc3)S2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B10 compound treatment 0.402 0.0123 0.45 0.404 0.0152 0.98 1.014 0.9385 2066283 IFLab1_001088 [O-][n+]1onc(C(=O)c2cccs2)c1C(=O)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B11 compound treatment 0.404 0.0143 0.53 0.408 0.0192 1.24 1.249 0.9273 1403758 IFLab1_001089 O=C(COc1ccccc1)Nc2ncc(Cc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B12 compound treatment 0.4 0.0103 0.38 0.401 0.0122 0.79 0.8248 0.9442 1603086 IFLab1_001090 OC(=O)C(NC(=O)c1ccccc1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B13 compound treatment 0.413 0.0233 0.86 0.408 0.0192 1.24 1.4827 0.9838 1520010 IFLab1_001091 O=S(=O)(CCOc1ccccc1)N2CCOCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B14 compound treatment 0.402 0.0123 0.45 0.404 0.0152 0.98 1.014 0.9385 2066284 IFLab1_001092 C(Sc1nncn1c2ccccc2)c3cn4ccsc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B15 compound treatment 0.403 0.0133 0.49 0.407 0.0182 1.17 1.1773 0.9248 2066285 IFLab1_001093 CC(C)(C)c1ccc(/C=C/C(=O)O)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B16 compound treatment 0.41 0.0203 0.75 0.411 0.0222 1.43 1.5421 0.9538 1656781 IFLab1_001094 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)C(=O)c4ccccc4)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B17 compound treatment 0.413 0.0233 0.86 0.412 0.0232 1.5 1.6657 0.9649 2066286 IFLab1_001095 COC(=O)CCS(=O)(=O)c1ccc(Cl)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B18 compound treatment 0.403 0.0133 0.49 0.402 0.0132 0.85 0.9485 0.9656 1179259 IFLab1_001096 Clc1ccc(Cl)c(Cc2cnc(NC(=O)C3CCCO3)s2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B19 compound treatment 0.404 0.0143 0.53 0.406 0.0172 1.11 1.1575 0.942 1224001 IFLab1_001097 CCN1CCN(CC1)c2cc3N(C)c4ccccc4Oc3nn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B20 compound treatment 0.402 0.0123 0.45 0.403 0.0142 0.92 0.9683 0.9474 1349850 IFLab1_001098 COc1ccc(cc1)c2csc(N)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B21 compound treatment 0.4 0.0103 0.38 0.407 0.0182 1.17 1.0994 0.8903 1917751 IFLab1_001099 COC(=O)CCC(=O)c1ccc(Br)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B22 compound treatment 0.394 0.00434 0.16 0.392 0.00316 0.2 0.2572 0.9925 1140317 IFLab1_001100 CC(=O)Nc1ccc(cc1)c2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B23 mock treatment 0.402 0.0123 0.45 0.396 0.00716 0.46 0.648 0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 B24 mock treatment 0.392 0.00234 0.09 0.392 0.00316 0.2 0.2053 0.9262 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C01 compound treatment 0.375 -0.0147 -0.54 0.378 -0.0108 -0.7 -0.8768 -0.9914 1223908 IFLab1_001101 Nc1nc(cs1)c2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C02 compound treatment 0.384 -0.00566 -0.21 0.38 -0.00884 -0.57 -0.5515 -0.9059 1149446 IFLab1_001102 Clc1ccc(cc1)C2=C(C#N)C(=O)Nc3ccccc3S2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C03 compound treatment 0.373 -0.0167 -0.61 0.378 -0.0108 -0.7 -0.9287 -0.9977 1273996 IFLab1_001103 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N2CCN(Cc3ccccc3)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C04 compound treatment 0.385 -0.00466 -0.17 0.379 -0.00984 -0.64 -0.5713 -0.8662 1668048 IFLab1_001104 COc1ccc(cc1OC)C(=O)Nc2sc3CCC(C)Cc3c2C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C05 compound treatment 0.382 -0.00766 -0.28 0.379 -0.00984 -0.64 -0.6492 -0.9324 1663578 IFLab1_001105 CN1CCCN(CC1)c2nc(C)nc3sc4CCCc4c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C06 compound treatment 0.38 -0.00966 -0.35 0.384 -0.00484 -0.31 -0.4724 -0.9981 1541981 IFLab1_001106 CCSc1nnc(NC(=O)c2ccc(cc2)c3ccccc3)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C07 compound treatment 0.425 0.0353 1.3 0.42 0.0312 2.02 2.3434 0.9773 1728326 IFLab1_001107 COc1ccc2oc(c(C(=O)N)c2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C08 compound treatment 0.395 0.00534 0.2 0.392 0.00316 0.2 0.2832 0.9998 1403107 IFLab1_001108 COc1ccccc1C(=O)Nc2nnc(s2)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C09 compound treatment 0.382 -0.00766 -0.28 0.384 -0.00484 -0.31 -0.4204 -0.9985 1458750 IFLab1_001109 CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)C(C)C)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C10 compound treatment 0.382 -0.00766 -0.28 0.394 0.00516 0.33 0.0371 0.0851 1170894 IFLab1_001110 COC(=O)C1=C(CCS1)NC(=O)C2CCCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C11 compound treatment 0.386 -0.00366 -0.13 0.391 0.00216 0.14 0.0037 0.0192 1702141 IFLab1_001111 CCc1cc(C(=O)Cn2cnc3ccccc23)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C12 compound treatment 0.433 0.0433 1.59 0.426 0.0372 2.4 2.8257 0.9799 1529753 IFLab1_001112 CCc1nnc(NC(=O)c2cc3ccccc3cc2OC)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C13 compound treatment 0.392 0.00234 0.09 0.393 0.00416 0.27 0.251 0.889 2066287 IFLab1_001113 COC(=O)NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C14 compound treatment 0.392 0.00234 0.09 0.389 1.56E-4 0.01 0.068 0.7848 1223344 IFLab1_001114 COC(=O)C1=C(CCS1)NC(=O)c2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C15 compound treatment 0.374 -0.0157 -0.57 0.378 -0.0108 -0.7 -0.9027 -0.9951 1602437 IFLab1_001115 COc1cccc(OCC(=O)NCC(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C16 compound treatment 0.385 -0.00466 -0.17 0.387 -0.00184 -0.12 -0.2053 -0.9845 1667248 IFLab1_001116 Fc1ccc(cc1)c2nnc(NC(=O)COc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C17 compound treatment 0.39 3.44E-4 0.01 0.391 0.00216 0.14 0.1076 0.7679 2066288 IFLab1_001117 Brc1ccc(s1)C(=O)NCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C18 compound treatment 0.402 0.0123 0.45 0.399 0.0102 0.66 0.7853 0.9836 2066289 IFLab1_001118 Cn1c(=NC(=O)C2CCCCC2)sc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C19 compound treatment 0.381 -0.00866 -0.32 0.382 -0.00684 -0.44 -0.5379 -0.9868 1119499 IFLab1_001119 Brc1ccc(NC(=O)C2CC2)c(c1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C20 compound treatment 0.38 -0.00966 -0.35 0.382 -0.00684 -0.44 -0.5639 -0.9939 1148237 IFLab1_001120 Fc1ccc(cc1)c2csc(NC(=O)c3ccc(cc3)N4C(=O)CCC4=O)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C21 compound treatment 0.397 0.00734 0.27 0.402 0.0132 0.85 0.7927 0.8876 1505492 IFLab1_001121 CCOCN1C(=O)c2cccc3cccc1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C22 compound treatment 0.398 0.00834 0.31 0.394 0.00516 0.33 0.4526 0.9991 2066290 IFLab1_001122 COc1ccc(cc1)c2csc(Nc3ccccc3)[n+]2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C23 mock treatment 0.377 -0.0127 -0.46 0.371 -0.0178 -1.15 -1.1451 -0.92 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 C24 mock treatment 0.375 -0.0147 -0.54 0.373 -0.0158 -1.03 -1.1056 -0.9547 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D01 compound treatment 0.402 0.0123 0.45 0.4 0.0112 0.72 0.831 0.9749 1171021 IFLab1_001123 CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D02 compound treatment 0.396 0.00634 0.23 0.398 0.00916 0.59 0.5837 0.9168 1127343 IFLab1_001124 CC1(CC2(C)CC3(CC(=O)O)C1)CC(CC(=O)O)(C2)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D03 compound treatment 0.494 0.104 3.83 0.491 0.102 6.61 7.3839 0.9664 1413469 IFLab1_001125 CCOC(=O)c1sc(NC(=O)COc2ccccc2)nc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D04 compound treatment 0.391 0.00134 0.05 0.404 0.0152 0.98 0.7284 0.7417 1079544 IFLab1_001126 FC(F)(F)S(=O)(=O)c1ccc(Br)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D05 compound treatment 0.394 0.00434 0.16 0.398 0.00916 0.59 0.5318 0.8666 1600969 IFLab1_001127 CC(NC(=O)C(c1ccccc1)c2ccccc2)C(=O)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D06 compound treatment 0.392 0.00234 0.09 0.395 0.00616 0.4 0.3426 0.8405 1138171 IFLab1_001128 Fc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D07 compound treatment 0.513 0.123 4.53 0.408 0.0192 1.24 4.0794 0.8687 1108481 IFLab1_001129 O=C(Nc1ccccc1)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D08 compound treatment 0.404 0.0143 0.53 0.409 0.0202 1.3 1.2948 0.9204 2066291 IFLab1_001130 FC(F)(F)C(=O)Nc1cccc(c1)C(=O)Nc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D09 compound treatment 0.454 0.0643 2.36 0.433 0.0442 2.86 3.6913 0.9955 2066292 IFLab1_001131 COc1ccc(CC2S/C(=N/c3ccc(Br)cc3)/NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D10 compound treatment 0.437 0.0473 1.74 0.451 0.0622 4.02 4.0735 0.9296 1342742 IFLab1_001132 Cc1ccc(cc1)S(=O)(=O)N2CCN(Cc3cc(ccc3O)c4ccccc4)CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D11 compound treatment 0.468 0.0783 2.88 0.466 0.0772 4.99 5.5648 0.9657 1650769 IFLab1_001133 COc1ccccc1OCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D12 compound treatment 0.394 0.00434 0.16 0.4 0.0112 0.72 0.6233 0.843 1985468 IFLab1_001134 CSc1nnc(o1)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D13 compound treatment 0.404 0.0143 0.53 0.404 0.0152 0.98 1.066 0.9575 2066293 IFLab1_001135 Cc1ccc(cc1)n2c(C)nc3ccccc3c2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D14 compound treatment 0.394 0.00434 0.16 0.4 0.0112 0.72 0.6233 0.843 2066294 IFLab1_001136 Cc1csc2nc(CSc3nnnn3c4ccccc4)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D15 compound treatment 0.39 3.44E-4 0.01 0.4 0.0112 0.72 0.5194 0.7194 1604901 IFLab1_001137 O=C(NCCc1c[nH]c2ccccc12)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D16 compound treatment 0.493 0.103 3.79 0.496 0.107 6.93 7.5867 0.9598 1740346 IFLab1_001138 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Oc4ccccc4)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D17 compound treatment 0.404 0.0143 0.53 0.409 0.0202 1.3 1.2948 0.9204 1286122 IFLab1_001139 CC(=O)Nc1ccc(cc1N)S(=O)(=O)c2ccc(N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D18 compound treatment 0.414 0.0243 0.89 0.417 0.0282 1.82 1.9205 0.9463 1548282 IFLab1_001140 OC(=O)COc1ccc2c(c1)oc(=O)c3ccccc32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D19 compound treatment 0.397 0.00734 0.27 0.397 0.00816 0.53 0.5639 0.9514 1379754 IFLab1_001141 CC(C)Sc1nc2ccccc2n1CC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D20 compound treatment 0.421 0.0313 1.15 0.43 0.0412 2.66 2.6971 0.9296 1016070 IFLab1_001142 CC(=O)Nc1nc(cs1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D21 compound treatment 0.389 -6.56E-4 -0.02 0.398 0.00916 0.59 0.4019 0.6778 1385217 IFLab1_001143 Oc1c(CN2CCOCC2)cc(cc1CN3CCOCC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D22 compound treatment 0.396 0.00634 0.23 0.39 0.00116 0.07 0.2176 0.8895 1576299 IFLab1_001144 Cn1ccnc1SCC(=O)c2ccc(O)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D23 mock treatment 0.394 0.00434 0.16 0.396 0.00716 0.46 0.4402 0.8988 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 D24 mock treatment 0.386 -0.00366 -0.13 0.388 -8.44E-4 -0.05 -0.1335 -0.9214 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E01 compound treatment 0.399 0.00934 0.34 0.394 0.00516 0.33 0.4786 0.9999 1253521 IFLab1_001145 OCCN(CCO)c1ncnc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E02 compound treatment 0.512 0.122 4.49 0.515 0.126 8.16 8.9495 0.9604 2066295 IFLab1_001146 CC(=O)Sc1[nH]c(nc1S(=O)(=O)c2ccccc2)c3ccc(C)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E03 compound treatment 0.399 0.00934 0.34 0.401 0.0122 0.79 0.7989 0.9308 2066296 IFLab1_001147 Cc1nnc2c3cnn(c4ccccc4)c3nc(C)n12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E04 compound treatment 0.461 0.0713 2.62 0.46 0.0712 4.6 5.1085 0.9643 1399682 IFLab1_001148 Cc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E05 compound treatment 0.397 0.00734 0.27 0.401 0.0122 0.79 0.7469 0.8982 1296769 IFLab1_001149 O=C(CC(=O)c1ccccc1)Nc2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E06 compound treatment 0.408 0.0183 0.67 0.404 0.0152 0.98 1.1698 0.9832 1738796 IFLab1_001150 CCSc1nnc(NC(=O)c2ccc(cc2)C(=O)c3ccccc3)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E07 compound treatment 0.429 0.0393 1.44 0.422 0.0332 2.15 2.5388 0.9815 2066297 IFLab1_001151 CCOC(=O)c1c(oc2ccc(OC)cc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E08 compound treatment 0.439 0.0493 1.81 0.43 0.0412 2.66 3.1645 0.9824 1715253 IFLab1_001152 Clc1ccccc1c2nnc(NC(=O)Cc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E09 compound treatment 0.435 0.0453 1.67 0.428 0.0392 2.53 2.9691 0.9793 1190551 IFLab1_001153 Oc1ccc2c(=O)c(coc2c1)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E10 compound treatment 0.405 0.0153 0.56 0.407 0.0182 1.17 1.2292 0.9433 1703708 IFLab1_001154 COC(=O)C1=C(CCS1)NC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E11 compound treatment 0.395 0.00534 0.2 0.404 0.0152 0.98 0.8323 0.8321 1160900 IFLab1_001155 COc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E12 compound treatment 0.451 0.0613 2.25 0.454 0.0652 4.22 4.5743 0.9569 1709683 IFLab1_001156 O=C(Cc1cccc2ccccc12)Nc3nnc(s3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E13 compound treatment 0.411 0.0213 0.78 0.408 0.0192 1.24 1.4308 0.9756 1528674 IFLab1_001157 CCN(CC)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)N(CC)CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E14 compound treatment 0.412 0.0223 0.82 0.413 0.0242 1.56 1.6855 0.9547 1423396 IFLab1_001158 Cc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E15 compound treatment 0.406 0.0163 0.6 0.403 0.0142 0.92 1.0722 0.979 1592334 IFLab1_001159 CC(C)CCOc1cccc(OCC(=O)NCC(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E16 compound treatment 0.457 0.0673 2.47 0.467 0.0782 5.06 5.325 0.9458 2066298 IFLab1_001160 CCSc1nnc(NC(=O)c2cccc(c2)C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E17 compound treatment 0.418 0.0283 1.04 0.429 0.0402 2.6 2.5735 0.9193 1224629 IFLab1_001161 CCOc1ccc2nc(NC(=O)C3CC3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E18 compound treatment 0.421 0.0313 1.15 0.425 0.0362 2.34 2.4683 0.9466 1720680 IFLab1_001162 Oc1ccc(NC(=O)C2CCCCC2)cc1c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E19 compound treatment 0.434 0.0443 1.63 0.439 0.0502 3.25 3.4465 0.9491 2066299 IFLab1_001163 O=C(/C(=C/1\Nc2ccccc2S1)/C#N)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E20 compound treatment 0.405 0.0153 0.56 0.409 0.0202 1.3 1.3207 0.9295 1124258 IFLab1_001164 O=C(Nc1nc(cs1)c2cccs2)c3ccc(cc3)N4C(=O)CCC4=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E21 compound treatment 0.431 0.0413 1.52 0.439 0.0502 3.25 3.3686 0.9401 1674690 IFLab1_001165 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N4CCN(C)CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E22 compound treatment 0.404 0.0143 0.53 0.4 0.0112 0.72 0.8829 0.988 1007668 IFLab1_001166 Nc1ccc(NC(=O)CCC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E23 mock treatment 0.391 0.00134 0.05 0.394 0.00516 0.33 0.2708 0.8029 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 E24 mock treatment 0.393 0.00334 0.12 0.386 -0.00284 -0.18 -0.0433 -0.1957 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F01 compound treatment 0.398 0.00834 0.31 0.4 0.0112 0.72 0.7271 0.9272 2066300 IFLab1_001167 CC1CCc2sc(NC(=O)COc3ccc(Cl)cc3)c(C(=O)N)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F02 compound treatment 0.41 0.0203 0.75 0.403 0.0142 0.92 1.176 0.9949 1215594 IFLab1_001168 Cc1cc(nc2cc(nn12)C(=O)NCC3CCCO3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F03 compound treatment 0.449 0.0593 2.18 0.456 0.0672 4.35 4.6139 0.9491 1361013 IFLab1_001169 O=C(COc1ccccc1)Nc2nc(cs2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F04 compound treatment 0.403 0.0133 0.49 0.408 0.0192 1.24 1.223 0.9175 2066301 IFLab1_001170 CCC(=O)c1ccc2OCCOc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F05 compound treatment 0.435 0.0453 1.67 0.453 0.0642 4.15 4.1131 0.9195 1404125 IFLab1_001171 CC(NC(=O)C(c1ccccc1)c2ccccc2)C(=O)Nc3ccc(Br)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F06 compound treatment 0.421 0.0313 1.15 0.423 0.0342 2.21 2.3768 0.9538 1414687 IFLab1_001172 CC1(C)C(OC(=O)C(C)(C)C1=O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F07 compound treatment 0.433 0.0433 1.59 0.435 0.0462 2.99 3.2375 0.9566 1329870 IFLab1_001173 CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F08 compound treatment 0.415 0.0253 0.93 0.41 0.0212 1.37 1.6262 0.9823 2066302 IFLab1_001174 CCCCC1(C)Cc2ccccc2C(=O)N1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F09 compound treatment 0.46 0.0703 2.58 0.463 0.0742 4.8 5.2198 0.9578 2066303 IFLab1_001175 COc1ccc(CC2S/C(=N/c3ccccn3)/NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F10 compound treatment 0.41 0.0203 0.75 0.414 0.0252 1.63 1.6794 0.9376 2066304 IFLab1_001176 Clc1ccc(C(=O)Cn2ccnc2)c(Cl)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F11 compound treatment 0.401 0.0113 0.42 0.404 0.0152 0.98 0.9881 0.9273 2066305 IFLab1_001177 COc1ccc(/N=C/c2ccc(o2)c3ccc(F)cc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F12 compound treatment 0.507 0.117 4.31 0.489 0.1 6.48 7.63 0.9803 2066306 IFLab1_001178 S=C/1SC(=C\C1=C/Nc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F13 compound treatment 0.417 0.0273 1.0 0.407 0.0182 1.17 1.5408 0.9969 1538947 IFLab1_001179 CCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F14 compound treatment 0.406 0.0163 0.6 0.407 0.0182 1.17 1.2552 0.9514 2066307 IFLab1_001180 Clc1ccccc1/N=C/c2ccc(OC(=O)c3cccnc3)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F15 compound treatment 0.402 0.0123 0.45 0.41 0.0212 1.37 1.2886 0.8935 1619951 IFLab1_001181 Clc1ccc(cc1Cl)C(=O)Oc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F16 compound treatment 0.388 -0.00166 -0.06 0.393 0.00416 0.27 0.1472 0.5337 2066308 IFLab1_001182 CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F17 compound treatment 0.414 0.0243 0.89 0.419 0.0302 1.95 2.012 0.9374 1518504 IFLab1_001183 CC(CO)NC(=O)c1cc2ccccc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F18 compound treatment 0.434 0.0443 1.63 0.44 0.0512 3.31 3.4923 0.9466 1864906 IFLab1_001184 OC(=O)c1ccccc1NS(=O)(=O)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F19 compound treatment 0.413 0.0233 0.86 0.408 0.0192 1.24 1.4827 0.9838 1026952 IFLab1_001185 NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F20 compound treatment 0.407 0.0173 0.64 0.403 0.0142 0.92 1.0981 0.9842 1172465 IFLab1_001186 O=C1OC(Nc2nccs2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F21 compound treatment 0.42 0.0303 1.11 0.421 0.0322 2.08 2.2593 0.9572 2066309 IFLab1_001187 O=C/1OC(=C\C1=C/Nc2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F22 compound treatment 0.438 0.0483 1.78 0.435 0.0462 2.99 3.3673 0.9691 2066310 IFLab1_001188 COc1cc(/C=C\2/N=C(SCC(=O)c3ccccc3)N(C2=O)c4ccccc4)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F23 mock treatment 0.403 0.0133 0.49 0.397 0.00816 0.53 0.7197 0.9993 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 F24 mock treatment 0.396 0.00634 0.23 0.398 0.00916 0.59 0.5837 0.9168 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G01 compound treatment 0.389 -6.56E-4 -0.02 0.389 1.56E-4 0.01 -0.0099 -0.3785 1647190 IFLab1_001189 Oc1ccc2ccccc2c1CN3CCN(Cc4ccccc4)CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G02 compound treatment 0.402 0.0123 0.45 0.402 0.0132 0.85 0.9225 0.9565 2066311 IFLab1_001190 CN1CCN(CC1)C(=O)/C=C/c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G03 compound treatment 0.389 -6.56E-4 -0.02 0.392 0.00316 0.2 0.1274 0.6194 1731764 IFLab1_001191 O=C(CCN1CCN(Cc2ccccc2)CC1)Nc3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G04 compound treatment 0.405 0.0153 0.56 0.4 0.0112 0.72 0.9089 0.9925 2066312 IFLab1_001192 CCSc1nnc(NC(=O)C(C)C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G05 compound treatment 0.449 0.0593 2.18 0.457 0.0682 4.41 4.6596 0.9472 2066313 IFLab1_001193 Cc1nc2c(nn(c3ccccc3)c2s1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G06 compound treatment 0.402 0.0123 0.45 0.403 0.0142 0.92 0.9683 0.9474 1566011 IFLab1_001194 CC(=O)Nc1nnc(s1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G07 compound treatment 0.403 0.0133 0.49 0.401 0.0122 0.79 0.9027 0.9741 1342241 IFLab1_001195 COc1ccc2oc(c(C(=O)N(C)C)c2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G08 compound treatment 0.409 0.0193 0.71 0.399 0.0102 0.66 0.967 0.9992 2066314 IFLab1_001196 CC(C)C(=O)Nc1nnc(s1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G09 compound treatment 0.405 0.0153 0.56 0.412 0.0232 1.5 1.458 0.9107 1459250 IFLab1_001197 CC(=O)Oc1ccc2c(=O)c(c3nc4ccccc4s3)c(C)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G10 compound treatment 0.4 0.0103 0.38 0.406 0.0172 1.11 1.0536 0.8979 1410281 IFLab1_001198 CCCCC(=O)NC1=C(SCC1)C(=O)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G11 compound treatment 0.394 0.00434 0.16 0.389 1.56E-4 0.01 0.1199 0.7504 1501543 IFLab1_001199 Cc1oc2cc(O)ccc2c(=O)c1c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G12 compound treatment 0.418 0.0283 1.04 0.423 0.0342 2.21 2.2989 0.941 1544488 IFLab1_001200 COc1ccc(cc1OC)C(=O)Nc2nnc(s2)c3ccccc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G13 compound treatment 0.447 0.0573 2.11 0.441 0.0522 3.38 3.8756 0.9742 1156157 IFLab1_001201 Cc1ccccc1Nc2ncc(s2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G14 compound treatment 0.405 0.0153 0.56 0.403 0.0142 0.92 1.0462 0.9728 1219723 IFLab1_001202 CCc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G15 compound treatment 0.396 0.00634 0.23 0.401 0.0122 0.79 0.721 0.8788 1693047 IFLab1_001203 CC(C)COc1cccc(OCC(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G16 compound treatment 0.46 0.0703 2.58 0.465 0.0762 4.93 5.3113 0.9546 1615637 IFLab1_001204 Cc1cccc(c1)c2nnc(NC(=O)c3c(F)cccc3F)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G17 compound treatment 0.405 0.0153 0.56 0.407 0.0182 1.17 1.2292 0.9433 1629230 IFLab1_001205 NS(=O)(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G18 compound treatment 0.418 0.0283 1.04 0.412 0.0232 1.5 1.7956 0.9841 1601099 IFLab1_001206 CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G19 compound treatment 0.413 0.0233 0.86 0.405 0.0162 1.05 1.3454 0.9951 2066315 IFLab1_001207 COc1cc(cc(OC)c1OC)C(=O)/C(=C/2\Nc3ccccc3S2)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G20 compound treatment 0.394 0.00434 0.16 0.399 0.0102 0.66 0.5775 0.8539 1166131 IFLab1_001208 O=C(OCc1nc2ccccc2s1)c3ccc(cc3)N4C(=O)CCC4=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G21 compound treatment 0.467 0.0773 2.84 0.462 0.0732 4.73 5.3558 0.9701 1514992 IFLab1_001209 CN(C)c1ccc(cc1)C(Nc2nccs2)c3ccc4cccnc4c3O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G22 compound treatment 0.396 0.00634 0.23 0.396 0.00716 0.46 0.4922 0.9494 1617268 IFLab1_001210 COC(=O)Cc1csc(=Nc2ccccc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G23 mock treatment 0.39 3.44E-4 0.01 0.395 0.00616 0.4 0.2906 0.7291 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 G24 mock treatment 0.393 0.00334 0.12 0.387 -0.00184 -0.12 0.0025 0.0144 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H01 compound treatment 0.404 0.0143 0.53 0.405 0.0162 1.05 1.1117 0.9496 1738700 IFLab1_001211 CCOc1ccc2nc(NC(=O)COc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H02 compound treatment 0.394 0.00434 0.16 0.401 0.0122 0.79 0.669 0.8335 1640509 IFLab1_001212 CCCC1(CC2CC3CC(N)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H03 compound treatment 0.41 0.0203 0.75 0.422 0.0332 2.15 2.0454 0.9003 1352697 IFLab1_001213 O=C(COc1ccccc1)Nc2sc3CCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H04 compound treatment 0.416 0.0263 0.97 0.419 0.0302 1.95 2.0639 0.9476 1609850 IFLab1_001214 Oc1ccc(cc1CN2CCN(CC2)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H05 compound treatment 0.407 0.0173 0.64 0.41 0.0212 1.37 1.4184 0.9394 1353666 IFLab1_001215 COc1ccc(NC(=O)C(C)NC(=O)C(c2ccccc2)c3ccccc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H06 compound treatment 0.4 0.0103 0.38 0.4 0.0112 0.72 0.7791 0.955 1006846 IFLab1_001216 COc1ccc(cc1OC)C(=O)c2ccc(OC)c(OC)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H07 compound treatment 0.402 0.0123 0.45 0.405 0.0162 1.05 1.0598 0.93 1563664 IFLab1_001217 Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H08 compound treatment 0.401 0.0113 0.42 0.399 0.0102 0.66 0.7593 0.9758 1379899 IFLab1_001218 CC1(C)CC(CC(C)(C)N1)OC(=O)c2ccccc2C(=O)OC3CC(C)(C)NC(C)(C)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H09 compound treatment 0.417 0.0273 1.0 0.413 0.0242 1.56 1.8154 0.9771 2066316 IFLab1_001219 FC(F)(F)c1cccc(CC2S/C(=N/c3ccccc3)/NC2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H10 compound treatment 0.396 0.00634 0.23 0.404 0.0152 0.98 0.8582 0.8514 1579704 IFLab1_001220 OC(=O)CC(Cc1ccc(Cl)cc1)C(=O)NCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H11 compound treatment 0.401 0.0113 0.42 0.405 0.0162 1.05 1.0338 0.9186 2066317 IFLab1_001221 COc1ccc(/N=C/c2ccc(o2)c3ccc(OC)cc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H12 compound treatment 0.498 0.108 3.98 0.502 0.113 7.32 7.9911 0.9589 2066318 IFLab1_001222 FC(F)(F)c1cccc(c1)c2ccc(/C=C\3/SC(=S)NC3=O)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H13 compound treatment 0.411 0.0213 0.78 0.403 0.0142 0.92 1.202 0.997 1457186 IFLab1_001223 CC1(C)CC(CC(C)(C)N1)OC(=O)CC(=O)OC2CC(C)(C)NC(C)(C)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H14 compound treatment 0.399 0.00934 0.34 0.397 0.00816 0.53 0.6158 0.9782 1007502 IFLab1_001224 OC(=O)CCC(=O)Nc1ccc(Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H15 compound treatment 0.381 -0.00866 -0.32 0.368 -0.0208 -1.35 -1.1785 -0.8505 1265036 IFLab1_001225 CC(C)c1ccc(O)c(CN2CCN(CC2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H16 compound treatment 0.43 0.0403 1.48 0.43 0.0412 2.66 2.9308 0.9617 1539446 IFLab1_001226 CCOC(=O)Cc1csc(NC(=O)c2sc3ccccc3c2Cl)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H17 compound treatment 0.441 0.0513 1.89 0.438 0.0492 3.18 3.5825 0.9688 2066319 IFLab1_001227 CN(Cc1cccs1)C(=S)S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H18 compound treatment 0.396 0.00634 0.23 0.405 0.0162 1.05 0.904 0.844 2066320 IFLab1_001228 OC(=O)/C=C/c1ccc(cc1)S(=O)(=O)Nc2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H19 compound treatment 0.532 0.142 5.23 0.531 0.142 9.2 10.201 0.9641 1384687 IFLab1_001229 CCOc1ccc2NC(C)(C)c3ssc(=S)c3-c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H20 compound treatment 0.397 0.00734 0.27 0.397 0.00816 0.53 0.5639 0.9514 1681924 IFLab1_001230 COc1ccc2C(Nc3ccccn3)OC(=O)c2c1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H21 compound treatment 0.394 0.00434 0.16 0.396 0.00716 0.46 0.4402 0.8988 2066321 IFLab1_001231 COC(=O)CSc1nnc(o1)c2ccc(Cl)cc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H22 compound treatment 0.407 0.0173 0.64 0.4 0.0112 0.72 0.9608 0.998 1191458 IFLab1_001232 O=C(Nc1nc(cs1)c2cc3ccccc3oc2=O)C4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H23 mock treatment 0.392 0.00234 0.09 0.402 0.0132 0.85 0.6629 0.7746 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 H24 mock treatment 0.394 0.00434 0.16 0.388 -8.44E-4 -0.05 0.0742 0.44 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I01 compound treatment 0.404 0.0143 0.53 0.408 0.0192 1.24 1.249 0.9273 2066322 IFLab1_001233 OC(=O)CCCSc1ncnc2sc3CCCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I02 compound treatment 0.429 0.0393 1.44 0.421 0.0322 2.08 2.493 0.9841 1333100 IFLab1_001234 CC1CCc2sc(NC(=O)C)c(C(=O)N)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I03 compound treatment 0.429 0.0393 1.44 0.435 0.0462 2.99 3.1336 0.9445 2066323 IFLab1_001235 CCOC(=O)CCSc1ncnc2sc3CCCc3c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I04 compound treatment 0.401 0.0113 0.42 0.4 0.0112 0.72 0.805 0.9659 2066324 IFLab1_001236 CCSc1nnc(NC(=O)CC)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I05 compound treatment 0.401 0.0113 0.42 0.405 0.0162 1.05 1.0338 0.9186 2066325 IFLab1_001237 Cc1ccc(NC(=O)CSc2nnc3ccccn23)c(C)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I06 compound treatment 0.41 0.0203 0.75 0.415 0.0262 1.69 1.7251 0.9324 1280967 IFLab1_001238 CC(C)C(=O)Nc1nnc(s1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I07 compound treatment 0.401 0.0113 0.42 0.404 0.0152 0.98 0.9881 0.9273 1445143 IFLab1_001239 Oc1ccc2oc(c(C(=O)N3CCCCC3)c2c1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I08 compound treatment 0.429 0.0393 1.44 0.422 0.0332 2.15 2.5388 0.9815 2066326 IFLab1_001240 CC(=O)Nc1nnc(s1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I09 compound treatment 0.411 0.0213 0.78 0.407 0.0182 1.17 1.385 0.9806 1400911 IFLab1_001241 CC(=O)Oc1ccc2c(=O)c(coc2c1)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I10 compound treatment 0.411 0.0213 0.78 0.41 0.0212 1.37 1.5223 0.965 1316483 IFLab1_001242 COC(=O)C1=C(CCS1)NC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I11 compound treatment 0.423 0.0333 1.22 0.422 0.0332 2.15 2.383 0.9646 1614124 IFLab1_001243 COc1ccc2cc(c3nc4ccccc4n3C)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I12 compound treatment 0.427 0.0373 1.37 0.425 0.0362 2.34 2.6241 0.9676 1419025 IFLab1_001244 Cc1ccc(cc1)c2nnc(NC(=O)C3CCCCC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I13 compound treatment 0.488 0.0983 3.61 0.486 0.0972 6.29 6.9993 0.9654 1128737 IFLab1_001245 COc1ccccc1Nc2ncc(s2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I14 compound treatment 0.437 0.0473 1.74 0.434 0.0452 2.92 3.2956 0.9692 1438184 IFLab1_001246 CC(C)c1nnc(NC(=O)COc2ccc(Cl)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I15 compound treatment 0.393 0.00334 0.12 0.408 0.0192 1.24 0.9634 0.7734 1286322 IFLab1_001247 Cc1ccc(OCC(=O)OC2CCS(=O)(=O)C2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I16 compound treatment 0.403 0.0133 0.49 0.412 0.0232 1.5 1.4061 0.8919 1188871 IFLab1_001248 COc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I17 compound treatment 0.411 0.0213 0.78 0.414 0.0252 1.63 1.7053 0.9439 1680962 IFLab1_001249 Clc1cccc2sc(NC(=O)C3CC3)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I18 compound treatment 0.409 0.0193 0.71 0.406 0.0172 1.11 1.2873 0.9767 1152746 IFLab1_001250 O=C(Nc1nc(cs1)c2ccc(C#N)cc2)C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I19 compound treatment 0.4 0.0103 0.38 0.408 0.0192 1.24 1.1451 0.8832 2066327 IFLab1_001251 NS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I20 compound treatment 0.409 0.0193 0.71 0.404 0.0152 0.98 1.1958 0.9875 1317436 IFLab1_001252 CC(=O)Nc1nc(CC(=O)c2ccccc2)cs1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I21 compound treatment 0.494 0.104 3.83 0.507 0.118 7.65 8.116 0.949 1486508 IFLab1_001253 Oc1c(ccc2cccnc12)C(Nc3ccccc3)c4ccccn4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I22 compound treatment 0.406 0.0163 0.6 0.405 0.0162 1.05 1.1637 0.9653 1648546 IFLab1_001254 OC(=O)CCC(=O)Nc1cccc(c1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I23 mock treatment 0.4 0.0103 0.38 0.396 0.00716 0.46 0.596 0.9952 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 I24 mock treatment 0.399 0.00934 0.34 0.388 -8.44E-4 -0.05 0.204 0.5872 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J01 compound treatment 0.399 0.00934 0.34 0.4 0.0112 0.72 0.7531 0.9422 1384521 IFLab1_001255 Clc1ccc2nc(NC(=O)COc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J02 compound treatment 0.435 0.0453 1.67 0.452 0.0632 4.09 4.0673 0.9216 1346891 IFLab1_001256 Oc1ccc(cc1)c2cnc(nc2)c3ccc(O)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J03 compound treatment 0.397 0.00734 0.27 0.392 0.00316 0.2 0.3351 0.9906 1222630 IFLab1_001257 O=C(COc1ccccc1)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J04 compound treatment 0.4 0.0103 0.38 0.399 0.0102 0.66 0.7333 0.966 1270037 IFLab1_001258 Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J05 compound treatment 0.401 0.0113 0.42 0.398 0.00916 0.59 0.7135 0.9851 1379503 IFLab1_001259 CCOc1cccc2cc(C(=O)OC)c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J06 compound treatment 0.394 0.00434 0.16 0.405 0.0162 1.05 0.8521 0.8057 1568728 IFLab1_001260 Cc1ccc(cc1)S(=O)(=O)c2cc(C)ccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J07 compound treatment 0.396 0.00634 0.23 0.4 0.0112 0.72 0.6752 0.8901 1195296 IFLab1_001261 CCOc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J08 compound treatment 0.399 0.00934 0.34 0.401 0.0122 0.79 0.7989 0.9308 1723897 IFLab1_001262 CCN(CC)C(=O)c1ccc(Oc2ccc(cc2)C(=O)N(CC)CC)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J09 compound treatment 0.425 0.0353 1.3 0.42 0.0312 2.02 2.3434 0.9773 2066328 IFLab1_001263 CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J10 compound treatment 0.44 0.0503 1.85 0.441 0.0522 3.38 3.6938 0.9599 1072056 IFLab1_001264 OC(=O)c1cc(Br)c2ccccc2c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J11 compound treatment 0.396 0.00634 0.23 0.401 0.0122 0.79 0.721 0.8788 1659159 IFLab1_001265 O=C(C1CCCCC1)N2CC(=O)N(CCc3ccccc3)C(=O)C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J12 compound treatment 0.416 0.0263 0.97 0.414 0.0252 1.63 1.8352 0.9691 2066329 IFLab1_001266 OC(=O)/C=C/c1ccc(o1)c2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J13 compound treatment 0.423 0.0333 1.22 0.431 0.0422 2.73 2.7948 0.9347 2066330 IFLab1_001267 Clc1cccc(/C=C/2\N=C(OC2=O)c3ccco3)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J14 compound treatment 0.414 0.0243 0.89 0.419 0.0302 1.95 2.012 0.9374 2066331 IFLab1_001268 Clc1ccc2nc(nc(c3ccccc3)c2c1)N4CCNCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J15 compound treatment 0.426 0.0363 1.33 0.417 0.0282 1.82 2.2321 0.9883 1161341 IFLab1_001269 Brc1ccc(cc1)C(=O)n2c(=O)oc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J16 compound treatment 0.462 0.0723 2.66 0.457 0.0682 4.41 4.9972 0.9706 1593267 IFLab1_001270 CCOC(=O)c1csc(NC(=O)c2sc3ccccc3c2Cl)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J17 compound treatment 0.403 0.0133 0.49 0.399 0.0102 0.66 0.8112 0.9895 1359955 IFLab1_001271 CCOC(=O)c1cnc2c3nsnc3ccc2c1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J18 compound treatment 0.393 0.00334 0.12 0.396 0.00716 0.46 0.4143 0.8647 1360581 IFLab1_001272 O=S(=O)(N1CCCCC1)c2cccc3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J19 compound treatment 0.339 -0.0507 -1.86 0.339 -0.0498 -3.23 -3.5961 -0.9658 1702645 IFLab1_001273 CCOC(=O)c1c(OCC)[nH]c2c1cc(O)c3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J20 compound treatment 0.398 0.00834 0.31 0.397 0.00816 0.53 0.5899 0.9665 1220831 IFLab1_001274 O=C1OC(Nc2ccccc2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J21 compound treatment 0.397 0.00734 0.27 0.399 0.0102 0.66 0.6554 0.9226 1186914 IFLab1_001275 NC(=O)CSc1nc2ccccc2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J22 compound treatment 0.396 0.00634 0.23 0.394 0.00516 0.33 0.4007 0.9846 1219595 IFLab1_001276 CC(C)C(=O)Nc1nc(cs1)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J23 mock treatment 0.391 0.00134 0.05 0.39 0.00116 0.07 0.0878 0.9796 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 J24 mock treatment 0.388 -0.00166 -0.06 0.387 -0.00184 -0.12 -0.1274 -0.9511 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K01 compound treatment 0.403 0.0133 0.49 0.4 0.0112 0.72 0.857 0.9822 1786302 IFLab1_001277 OC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K02 compound treatment 0.414 0.0243 0.89 0.408 0.0192 1.24 1.5087 0.9871 1436253 IFLab1_001278 CC(C)C(=O)Nc1sc2CCC(C)Cc2c1C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K03 compound treatment 0.401 0.0113 0.42 0.401 0.0122 0.79 0.8508 0.9558 1477975 IFLab1_001279 CN1CCN(CC1)S(=O)(=O)c2ccc3OCCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K04 compound treatment 0.405 0.0153 0.56 0.408 0.0192 1.24 1.275 0.9363 1116592 IFLab1_001280 CCSc1nnc(NC(=O)C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K05 compound treatment 0.402 0.0123 0.45 0.411 0.0222 1.43 1.3344 0.8874 1067361 IFLab1_001281 OC(=O)c1ccccc1C(=O)c2cccs2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K06 compound treatment 0.413 0.0233 0.86 0.408 0.0192 1.24 1.4827 0.9838 2066332 IFLab1_001282 Cc1cccc(c1)c2nnc(NC(=O)C(C)(C)C)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K07 compound treatment 0.39 3.44E-4 0.01 0.399 0.0102 0.66 0.4737 0.7206 1444429 IFLab1_001283 CN(C)C(=O)c1c(oc2ccc(O)cc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K08 compound treatment 0.414 0.0243 0.89 0.416 0.0272 1.76 1.8747 0.9509 2066333 IFLab1_001284 Clc1ccc(cc1)c2nnc(NC(=O)CBr)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K09 compound treatment 0.348 -0.0417 -1.53 0.356 -0.0328 -2.13 -2.5845 -0.987 1922320 IFLab1_001285 CCc1cc2c(=O)c(c3nc4ccccc4n3C)c(oc2cc1O)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K10 compound treatment 0.424 0.0343 1.26 0.422 0.0332 2.15 2.409 0.9679 1461478 IFLab1_001286 COC(=O)C1=C(CCS1)NC(=O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K11 compound treatment 0.328 -0.0617 -2.26 0.332 -0.0568 -3.68 -4.2021 -0.9728 1163362 IFLab1_001287 CCc1cc(c2n[nH]cc2c3nc4ccccc4n3C)c(O)cc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K12 compound treatment 0.406 0.0163 0.6 0.409 0.0202 1.3 1.3467 0.9379 1511522 IFLab1_001288 Fc1cccc(c1)C(=O)Nc2nnc(s2)c3ccc(Cl)cc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K13 compound treatment 0.396 0.00634 0.23 0.41 0.0212 1.37 1.1328 0.8157 2066334 IFLab1_001289 OC(=O)CSc1nnc(COc2ccccc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K14 compound treatment 0.405 0.0153 0.56 0.408 0.0192 1.24 1.275 0.9363 2066335 IFLab1_001290 CC(C)c1nnc(NC(=O)c2c(F)cccc2F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K15 compound treatment 0.398 0.00834 0.31 0.398 0.00916 0.59 0.6356 0.9529 1728810 IFLab1_001291 CC(NC(=O)COc1ccc(C)cc1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K16 compound treatment 0.454 0.0643 2.36 0.456 0.0672 4.35 4.7437 0.959 1588522 IFLab1_001292 Clc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K17 compound treatment 0.441 0.0513 1.89 0.441 0.0522 3.38 3.7198 0.9622 1371960 IFLab1_001293 O=C(Nc1nc2c(ccc3ccccc23)s1)C4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K18 compound treatment 0.405 0.0153 0.56 0.403 0.0142 0.92 1.0462 0.9728 1606388 IFLab1_001294 CCOC(=O)c1csc(NC(=O)C2CCCCC2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K19 compound treatment 0.386 -0.00366 -0.13 0.38 -0.00884 -0.57 -0.4996 -0.8499 1213849 IFLab1_001295 Cc1cccc2nc(CNc3ccc(I)cc3)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K20 compound treatment 0.412 0.0223 0.82 0.414 0.0252 1.63 1.7313 0.9497 1483792 IFLab1_001296 CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K21 compound treatment 0.397 0.00734 0.27 0.392 0.00316 0.2 0.3351 0.9906 1687669 IFLab1_001297 Fc1ccc(cc1)c2ncc3ccccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K22 compound treatment 0.397 0.00734 0.27 0.4 0.0112 0.72 0.7012 0.9098 1233139 IFLab1_001298 Cc1cccc(NC(=O)CCC(=O)O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K23 mock treatment 0.394 0.00434 0.16 0.391 0.00216 0.14 0.2115 0.9978 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 K24 mock treatment 0.392 0.00234 0.09 0.396 0.00716 0.46 0.3883 0.8244 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L01 compound treatment 0.4 0.0103 0.38 0.414 0.0252 1.63 1.4197 0.8493 1476952 IFLab1_001299 O=C(COc1ccccc1)Nc2nc3CCCCc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L02 compound treatment 0.413 0.0233 0.86 0.408 0.0192 1.24 1.4827 0.9838 1522785 IFLab1_001300 CCc1ccc(OCC(=O)NCCc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L03 compound treatment 0.407 0.0173 0.64 0.406 0.0172 1.11 1.2354 0.9652 1687354 IFLab1_001301 CCCC(=O)Nc1ccccc1c2nc3ccccc3[nH]2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L04 compound treatment 0.402 0.0123 0.45 0.396 0.00716 0.46 0.648 0.9999 1616457 IFLab1_001302 CC1(C)CC(=O)C=C(C1)NCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L05 compound treatment 0.438 0.0483 1.78 0.441 0.0522 3.38 3.6419 0.955 1539653 IFLab1_001303 CCN(CC)c1ccc2cc(C#N)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L06 compound treatment 0.469 0.0793 2.91 0.472 0.0832 5.38 5.8653 0.9585 2066336 IFLab1_001304 Brc1ccc(/C=C/2\N=C(OC2=O)c3ccco3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L07 compound treatment 0.43 0.0403 1.48 0.428 0.0392 2.53 2.8393 0.9673 1508244 IFLab1_001305 CCOc1cccc2cc(c3nc4ccccc4[nH]3)c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L08 compound treatment 0.437 0.0473 1.74 0.427 0.0382 2.47 2.9753 0.9853 2066337 IFLab1_001306 Cc1c(Cl)cccc1N/C=C/2\N=C(OC2=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L09 compound treatment 0.467 0.0773 2.84 0.449 0.0602 3.89 4.761 0.988 2066338 IFLab1_001307 CC(=O)Nc1ncc(Cc2ccc(C)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L10 compound treatment 0.399 0.00934 0.34 0.407 0.0182 1.17 1.0734 0.877 1779852 IFLab1_001308 C/C(=C\C(=O)O)/C=C/c1cccnc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L11 compound treatment 0.405 0.0153 0.56 0.408 0.0192 1.24 1.275 0.9363 1229167 IFLab1_001309 C(Cn1c(NCc2cccs2)nc3ccccc13)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L12 compound treatment 0.457 0.0673 2.47 0.458 0.0692 4.48 4.9131 0.9609 2066339 IFLab1_001310 OC(=O)/C=C/c1ccc(o1)c2cccc(c2)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L13 compound treatment 0.383 -0.00666 -0.24 0.382 -0.00684 -0.44 -0.486 -0.9608 1686133 IFLab1_001311 Oc1cc(O)cc(c1)C(=O)Nc2cccc(Cl)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L14 compound treatment 0.401 0.0113 0.42 0.414 0.0252 1.63 1.4457 0.8603 1683189 IFLab1_001312 CC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L15 compound treatment 0.399 0.00934 0.34 0.401 0.0122 0.79 0.7989 0.9308 1570094 IFLab1_001313 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2cccc(F)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L16 compound treatment 0.454 0.0643 2.36 0.461 0.0722 4.67 4.9725 0.9502 2066340 IFLab1_001314 Clc1c(sc2ccccc12)/C(=C\3/Nc4ccccc4S3)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L17 compound treatment 0.397 0.00734 0.27 0.409 0.0202 1.3 1.113 0.8356 1600394 IFLab1_001315 COc1cccc(c1)C(=O)Nc2cccc(c2)c3nc4ncccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L18 compound treatment 0.403 0.0133 0.49 0.402 0.0132 0.85 0.9485 0.9656 1478136 IFLab1_001316 OC(=O)c1ccc(cc1)S(=O)(=O)N2CCCC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L19 compound treatment 0.414 0.0243 0.89 0.4 0.0112 0.72 1.1426 0.9944 1426498 IFLab1_001317 CCOC(=O)C1C(C(C(=O)OCC)C(C)(O)CC1=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L20 compound treatment 0.416 0.0263 0.97 0.418 0.0292 1.89 2.0182 0.9518 1625442 IFLab1_001318 COc1ccc(cc1)c2nc3SCCn3c2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L21 compound treatment 0.404 0.0143 0.53 0.404 0.0152 0.98 1.066 0.9575 2066341 IFLab1_001319 CC(=O)N/C(=C\c1ccccc1)/C(=O)Nc2cc(C)cc(C)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L22 compound treatment 0.4 0.0103 0.38 0.398 0.00916 0.59 0.6876 0.9769 1524726 IFLab1_001320 Fc1cccc(F)c1C(=O)Nc2nc(cs2)c3cc4ccccc4oc3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L23 mock treatment 0.404 0.0143 0.53 0.401 0.0122 0.79 0.9287 0.981 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 L24 mock treatment 0.394 0.00434 0.16 0.395 0.00616 0.4 0.3945 0.9193 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M01 compound treatment 0.392 0.00234 0.09 0.402 0.0132 0.85 0.6629 0.7746 1138428 IFLab1_001321 COc1ccccc1C(=O)Nc2ncnc3sc4CCCCc4c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M02 compound treatment 0.413 0.0233 0.86 0.407 0.0182 1.17 1.4369 0.988 1292616 IFLab1_001322 COc1ccccc1C(=O)Nc2sc3CCC(C)Cc3c2C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M03 compound treatment 0.459 0.0693 2.55 0.478 0.0892 5.77 5.8802 0.9324 2066342 IFLab1_001323 Cc1cccc(NC(=O)CSc2nnnn2c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M04 compound treatment 0.408 0.0183 0.67 0.41 0.0212 1.37 1.4444 0.9466 1124649 IFLab1_001324 CCSc1nnc(NC(=O)c2ccc(OC)cc2OC)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M05 compound treatment 0.4 0.0103 0.38 0.4 0.0112 0.72 0.7791 0.955 1293606 IFLab1_001325 COc1ccc(cc1OC)C(=O)NCC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M06 compound treatment 0.438 0.0483 1.78 0.436 0.0472 3.05 3.4131 0.9668 1195031 IFLab1_001326 Cc1cccc(c1)c2nnc(NC(=O)Cc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M07 compound treatment 0.4 0.0103 0.38 0.396 0.00716 0.46 0.596 0.9952 1371174 IFLab1_001327 CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccco3)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M08 compound treatment 0.423 0.0333 1.22 0.417 0.0282 1.82 2.1542 0.9813 2066343 IFLab1_001328 CCC(=O)Nc1nnc(s1)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M09 compound treatment 0.401 0.0113 0.42 0.403 0.0142 0.92 0.9423 0.9364 1220572 IFLab1_001329 CC(=O)Oc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M10 compound treatment 0.507 0.117 4.31 0.501 0.112 7.26 8.1791 0.969 2066344 IFLab1_001330 COC(=O)C1=C(CCS1)NC(=O)/C=C/c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M11 compound treatment 0.4 0.0103 0.38 0.411 0.0222 1.43 1.2824 0.8646 2066345 IFLab1_001331 Oc1ccc(c2n[nH]cc2c3nc4ccccc4s3)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M12 compound treatment 0.428 0.0383 1.41 0.43 0.0412 2.66 2.8789 0.9556 1147068 IFLab1_001332 CCSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M13 compound treatment 0.398 0.00834 0.31 0.405 0.0162 1.05 0.9559 0.8774 1384402 IFLab1_001333 OC(=O)CNC(=O)COc1ccc(Oc2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M14 compound treatment 0.42 0.0303 1.11 0.41 0.0212 1.37 1.756 0.9948 1628487 IFLab1_001334 CCC(CC)C(=O)Nc1nnc(s1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M15 compound treatment 0.422 0.0323 1.19 0.418 0.0292 1.89 2.174 0.9751 2066346 IFLab1_001335 COc1ccc(cc1)C(=O)/C(=C/2\Nc3ccccc3S2)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M16 compound treatment 0.414 0.0243 0.89 0.425 0.0362 2.34 2.2866 0.9129 1582551 IFLab1_001336 Cc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M17 compound treatment 0.402 0.0123 0.45 0.403 0.0142 0.92 0.9683 0.9474 1348132 IFLab1_001337 CCOC(=O)c1sc(NC(=O)C2CC2)nc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M18 compound treatment 0.473 0.0833 3.06 0.448 0.0592 3.83 4.871 0.9938 1493938 IFLab1_001338 COc1ccc(NC(=O)C2CCCCC2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M19 compound treatment 0.406 0.0163 0.6 0.394 0.00516 0.33 0.6603 0.9616 1502606 IFLab1_001339 Cc1cccc2nc(CSc3ccccc3N)cn12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M20 compound treatment 0.449 0.0593 2.18 0.44 0.0512 3.31 3.8818 0.9794 2066347 IFLab1_001340 Clc1ccc(Cl)c(c1)C(=O)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M21 compound treatment 0.382 -0.00766 -0.28 0.384 -0.00484 -0.31 -0.4204 -0.9985 1684460 IFLab1_001341 Cc1cccn2cc(COc3ccc(Cl)cc3)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M22 compound treatment 0.398 0.00834 0.31 0.396 0.00716 0.46 0.5441 0.9799 2066348 IFLab1_001342 Oc1nc(c2ccccc2)c3cc(Cl)ccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M23 mock treatment 0.392 0.00234 0.09 0.392 0.00316 0.2 0.2053 0.9262 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 M24 mock treatment 0.392 0.00234 0.09 0.388 -8.44E-4 -0.05 0.0223 0.2183 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N01 compound treatment 0.401 0.0113 0.42 0.407 0.0182 1.17 1.1254 0.9027 1657252 IFLab1_001343 Cn1c(=NC(=O)COc2ccccc2)sc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N02 compound treatment 0.394 0.00434 0.16 0.394 0.00516 0.33 0.3487 0.9429 1537341 IFLab1_001344 OC(=O)CCCN1CCS(=O)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N03 compound treatment 0.436 0.0463 1.7 0.43 0.0412 2.66 3.0866 0.9766 2066349 IFLab1_001345 CCCC(=O)Nc1nc(cs1)c2ccc(Cl)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N04 compound treatment 0.447 0.0573 2.11 0.442 0.0532 3.44 3.9213 0.9723 1983568 IFLab1_001346 CCN(CC)c1ccc2ccc(O)cc2[o+]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N05 compound treatment 0.434 0.0443 1.63 0.453 0.0642 4.15 4.0871 0.9165 1386125 IFLab1_001347 CCOc1cccc2cc(C#N)c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N06 compound treatment 0.396 0.00634 0.23 0.398 0.00916 0.59 0.5837 0.9168 1561072 IFLab1_001348 COc1ccc(cc1)C(=O)NC2=C(C)N(C)N(C2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N07 compound treatment 0.452 0.0623 2.29 0.474 0.0852 5.51 5.5154 0.9243 1489044 IFLab1_001349 c1ccc2oc(nc2c1)c3ccnc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N08 compound treatment 0.436 0.0463 1.7 0.454 0.0652 4.22 4.1848 0.9204 1721659 IFLab1_001350 CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N09 compound treatment 0.394 0.00434 0.16 0.401 0.0122 0.79 0.669 0.8335 2066350 IFLab1_001351 CC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N10 compound treatment 0.394 0.00434 0.16 0.399 0.0102 0.66 0.5775 0.8539 1285926 IFLab1_001352 CCC1(CC2CC3CC(N)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N11 compound treatment 0.389 -6.56E-4 -0.02 0.394 0.00516 0.33 0.2189 0.6543 1697548 IFLab1_001353 Nc1ccc(c2nc3ccccc3[nH]2)c(N)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N12 compound treatment 0.55 0.16 5.89 0.556 0.167 10.82 11.8123 0.9591 1782504 IFLab1_001354 Fc1ccc(cc1)c2ccc(/C=C(\C#N)/c3ccccc3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N13 compound treatment 0.404 0.0143 0.53 0.403 0.0142 0.92 1.0202 0.9655 1628850 IFLab1_001355 COc1ccc2[nH]c3C(C)NCCc3c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N14 compound treatment 0.395 0.00534 0.2 0.393 0.00416 0.27 0.3289 0.988 1372885 IFLab1_001356 CS(=O)(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N15 compound treatment 0.509 0.119 4.38 0.519 0.13 8.42 9.0546 0.9537 1326463 IFLab1_001357 COc1ccccc1Nc2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N16 compound treatment 0.397 0.00734 0.27 0.402 0.0132 0.85 0.7927 0.8876 1781991 IFLab1_001358 O=S(=O)(/C=C/c1ccccc1)n2cnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N17 compound treatment 0.397 0.00734 0.27 0.4 0.0112 0.72 0.7012 0.9098 1258045 IFLab1_001359 CC(C)(C)c1cc(CN2CCOCC2)c(O)c(CN3CCOCC3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N18 compound treatment 0.397 0.00734 0.27 0.397 0.00816 0.53 0.5639 0.9514 1016773 IFLab1_001360 CCOC(=O)CSc1ncnc2[nH]cnc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N19 compound treatment 0.409 0.0193 0.71 0.416 0.0272 1.76 1.7449 0.9206 1141026 IFLab1_001361 CC(C)c1ccc(C)c(Oc2cc(Cl)nc(N)n2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N20 compound treatment 0.389 -6.56E-4 -0.02 0.392 0.00316 0.2 0.1274 0.6194 2066351 IFLab1_001362 O=C(Cn1c(c[n+]2ccsc12)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N21 compound treatment 0.438 0.0483 1.78 0.405 0.0162 1.05 1.9946 0.9681 1585073 IFLab1_001363 CCc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N22 compound treatment 0.389 -6.56E-4 -0.02 0.392 0.00316 0.2 0.1274 0.6194 1287641 IFLab1_001364 O=C(Nc1nc(cs1)c2cc3ccccc3oc2=O)C4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N23 mock treatment 0.393 0.00334 0.12 0.394 0.00516 0.33 0.3228 0.9078 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 N24 mock treatment 0.382 -0.00766 -0.28 0.38 -0.00884 -0.57 -0.6035 -0.9464 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O01 compound treatment 0.388 -0.00166 -0.06 0.376 -0.0128 -0.83 -0.6307 -0.7568 1381740 IFLab1_001365 O=S(=O)(N1CCN(Cc2ccccc2)CC1)c3ccc4OCCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O02 compound treatment 0.402 0.0123 0.45 0.4 0.0112 0.72 0.831 0.9749 1226038 IFLab1_001366 CC1CCc2sc(NC(=O)c3cccs3)c(C(=O)N)c2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O03 compound treatment 0.398 0.00834 0.31 0.396 0.00716 0.46 0.5441 0.9799 2066352 IFLab1_001367 CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)scc1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O04 compound treatment 0.406 0.0163 0.6 0.403 0.0142 0.92 1.0722 0.979 1257242 IFLab1_001368 CCSc1nnc(NC(=O)c2ccccc2Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O05 compound treatment 0.399 0.00934 0.34 0.397 0.00816 0.53 0.6158 0.9782 1432965 IFLab1_001369 CCOC(=O)c1c(oc2ccc(OC(=O)CC)cc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O06 compound treatment 0.407 0.0173 0.64 0.414 0.0252 1.63 1.6015 0.9161 1555885 IFLab1_001370 COc1ccccc1C(=O)Nc2nnc(s2)c3cccc(C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O07 compound treatment 0.372 -0.0177 -0.65 0.379 -0.00984 -0.64 -0.9089 -1.0 1315017 IFLab1_001371 CCOC(=O)c1c(oc2ccc(O)c(CN3CCOCC3)c12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O08 compound treatment 0.404 0.0143 0.53 0.402 0.0132 0.85 0.9745 0.9734 1634705 IFLab1_001372 Clc1ccc(cc1)c2nnc(NC(=O)C3CCCCC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O09 compound treatment 0.54 0.15 5.52 0.557 0.168 10.88 11.5984 0.9505 1422999 IFLab1_001373 CN(C)Cc1c(O)ccc2cc(c3nc4ccccc4[nH]3)c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O10 compound treatment 0.41 0.0203 0.75 0.41 0.0212 1.37 1.4963 0.9594 1133059 IFLab1_001374 COC(=O)C1=C(CCS1)NC(=O)Cc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O11 compound treatment 0.742 0.352 12.94 0.73 0.341 22.08 24.7598 0.9676 1235738 IFLab1_001375 CCC1CCCCN1Cc2c(O)ccc3cc(c4nc(C)cs4)c(=O)oc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O12 compound treatment 0.403 0.0133 0.49 0.403 0.0142 0.92 0.9943 0.957 2066353 IFLab1_001376 COC(=O)C1=C(CCS1)NC(=O)CCCCl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O13 compound treatment 0.444 0.0543 2.0 0.462 0.0732 4.73 4.7586 0.9262 1711670 IFLab1_001377 COc1cccc(OCC(=O)Oc2ccc(cc2)C(=O)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O14 compound treatment 0.407 0.0173 0.64 0.41 0.0212 1.37 1.4184 0.9394 2066354 IFLab1_001378 FC(F)(F)c1cccc(c1)C(=O)Nc2nnc(s2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O15 compound treatment 0.4 0.0103 0.38 0.4 0.0112 0.72 0.7791 0.955 1178511 IFLab1_001379 CCOC(=O)c1c(NC(=O)C2CC2)sc3CCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O16 compound treatment 0.398 0.00834 0.31 0.412 0.0232 1.5 1.2762 0.8344 1518941 IFLab1_001380 NS(=O)(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O17 compound treatment 0.404 0.0143 0.53 0.403 0.0142 0.92 1.0202 0.9655 1584919 IFLab1_001381 COc1ccc(NC(=O)C2CC2)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O18 compound treatment 0.401 0.0113 0.42 0.397 0.00816 0.53 0.6678 0.9931 1713763 IFLab1_001382 Brc1ccc2nc(NC(=O)c3ccc(cc3)N4C(=O)CCC4=O)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O19 compound treatment 0.398 0.00834 0.31 0.391 0.00216 0.14 0.3153 0.9366 2066355 IFLab1_001383 COc1ccc(cc1)C(=O)OCc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O20 compound treatment 0.394 0.00434 0.16 0.396 0.00716 0.46 0.4402 0.8988 2066356 IFLab1_001384 Cc1csc(Nc2ccccc2)[n+]1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O21 compound treatment 0.396 0.00634 0.23 0.389 1.56E-4 0.01 0.1719 0.7371 1177653 IFLab1_001385 C(SC1=NCCS1)c2cn3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O22 compound treatment 0.4 0.0103 0.38 0.398 0.00916 0.59 0.6876 0.9769 2066357 IFLab1_001386 Oc1nc(c2ccccc2)c3cc(Br)ccc3n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O23 mock treatment 0.395 0.00534 0.2 0.389 1.56E-4 0.01 0.1459 0.7426 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 O24 mock treatment 0.377 -0.0127 -0.46 0.389 1.56E-4 0.01 -0.3215 -0.6916 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P01 compound treatment 0.383 -0.00666 -0.24 0.394 0.00516 0.33 0.0631 0.1526 1566344 IFLab1_001387 CSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P02 compound treatment 0.381 -0.00866 -0.32 0.397 0.00816 0.53 0.1484 0.2409 1915775 IFLab1_001388 OC(=O)CN(CCCc1ccccc1)CC(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P03 compound treatment 0.407 0.0173 0.64 0.402 0.0132 0.85 1.0524 0.9898 2066358 IFLab1_001389 CCCC(=O)Nc1nc2CCC(C)Cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P04 compound treatment 0.397 0.00734 0.27 0.391 0.00216 0.14 0.2894 0.953 2066359 IFLab1_001390 CC(NC(=O)C(C)(C)C)C1CC2CCC1C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P05 compound treatment 0.411 0.0213 0.78 0.407 0.0182 1.17 1.385 0.9806 1328544 IFLab1_001391 COc1ccccc1NC(=O)c2cc3ccccc3oc2=N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P06 compound treatment 0.389 -6.56E-4 -0.02 0.396 0.00716 0.46 0.3104 0.6694 1163900 IFLab1_001392 CCOC(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P07 compound treatment 0.39 3.44E-4 0.01 0.398 0.00916 0.59 0.4279 0.722 2066360 IFLab1_001393 CCOc1ccc(CC2SC(=N)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P08 compound treatment 0.388 -0.00166 -0.06 0.395 0.00616 0.4 0.2387 0.5923 1221857 IFLab1_001394 O=C1CN(CC(=O)N1CCc2ccccc2)S(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P09 compound treatment 0.421 0.0313 1.15 0.414 0.0252 1.63 1.965 0.9856 1360916 IFLab1_001395 COc1ccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P10 compound treatment 0.415 0.0253 0.93 0.42 0.0312 2.02 2.0837 0.9384 2066361 IFLab1_001396 CC(=C)C(=O)Nc1ccc(cc1)c2nc3cc(NC(=O)C(=C)C)ccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P11 compound treatment 0.403 0.0133 0.49 0.393 0.00416 0.27 0.5367 0.9601 1140011 IFLab1_001397 Cc1ccc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P12 compound treatment 0.502 0.112 4.13 0.517 0.128 8.29 8.7814 0.948 1782503 IFLab1_001398 COc1ccc(cc1)c2ccc(/C=C(\C#N)/c3ccccc3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P13 compound treatment 0.395 0.00534 0.2 0.396 0.00716 0.46 0.4662 0.927 2066362 IFLab1_001399 O=S1(=O)N=C(NCc2ccccc2)c3ccccc31 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P14 compound treatment 0.389 -6.56E-4 -0.02 0.405 0.0162 1.05 0.7222 0.6906 1139871 IFLab1_001400 Cc1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P15 compound treatment 0.396 0.00634 0.23 0.395 0.00616 0.4 0.4464 0.9673 1041788 IFLab1_001401 CN1CCCC1c2cccnc2N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P16 compound treatment 0.398 0.00834 0.31 0.394 0.00516 0.33 0.4526 0.9991 2066363 IFLab1_001402 CS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P17 compound treatment 0.396 0.00634 0.23 0.391 0.00216 0.14 0.2634 0.97 1395261 IFLab1_001403 CC1(C)CC(CC(C)(C)N1)NC(=O)CNc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P18 compound treatment 0.385 -0.00466 -0.17 0.385 -0.00384 -0.25 -0.2968 -0.9833 1645376 IFLab1_001404 CCOC(=O)c1c(oc2ccc(OC(C)C(=O)OC)cc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P19 compound treatment 0.405 0.0153 0.56 0.411 0.0222 1.43 1.4123 0.9167 1343506 IFLab1_001405 Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1Br 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P20 compound treatment 0.389 -6.56E-4 -0.02 0.394 0.00516 0.33 0.2189 0.6543 1100932 IFLab1_001406 C1Cn2cc(nc2S1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P21 compound treatment 0.381 -0.00866 -0.32 0.39 0.00116 0.07 -0.1719 -0.5263 1705627 IFLab1_001407 CC(=O)Oc1ccc(cc1)C(=O)Nc2cc(Cl)ccc2OC(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P22 compound treatment 0.381 -0.00866 -0.32 0.385 -0.00384 -0.25 -0.4007 -0.9926 1577296 IFLab1_001408 CCCC(=O)Nc1nc(cs1)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P23 mock treatment 0.375 -0.0147 -0.54 0.395 0.00616 0.4 -0.0989 -0.1477 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1415 P24 mock treatment 0.372 -0.0177 -0.65 0.364 -0.0248 -1.61 -1.5953 -0.9203 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A01 compound treatment 0.357 -0.0327 -1.2 0.364 -0.0255 -1.65 -2.0157 -0.9879 1743162 IFLab1_001409 CN(C)c1ccc(cc1)C(=O)Nc2nc3ccc(Cl)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A02 compound treatment 0.38 -0.00972 -0.36 0.384 -0.00548 -0.35 -0.5033 -1.0 2066364 IFLab1_001410 CC(=O)Nc1nc(cs1)c2cc(Cl)sc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A03 compound treatment 0.373 -0.0167 -0.61 0.374 -0.0155 -1.0 -1.1426 -0.9724 1275248 IFLab1_001411 CC(=O)Nc1ccc2nc(NC(=O)CCOc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A04 compound treatment 0.423 0.0333 1.22 0.438 0.0485 3.14 3.0842 0.9155 2066365 IFLab1_001412 COc1ccc(/C=C\2/SC(=S)N(C(C)C(=O)O)C2=O)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A05 compound treatment 0.384 -0.00572 -0.21 0.379 -0.0105 -0.68 -0.6282 -0.8846 1150681 IFLab1_001413 CCOc1ccc(OCC)c(c1)S(=O)(=O)NCc2ccco2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A06 compound treatment 0.369 -0.0207 -0.76 0.385 -0.00448 -0.29 -0.7432 -0.9127 2066366 IFLab1_001414 Clc1ccccc1NC(=O)CN2C(=O)S/C(=C/c3ccccc3)/C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A07 compound treatment 0.388 -0.00172 -0.06 0.378 -0.0115 -0.74 -0.5701 -0.7644 2066367 IFLab1_001415 CCN1C(=O)/C(=C\C=C\c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A08 compound treatment 0.382 -0.00772 -0.28 0.395 0.00552 0.36 0.052 0.114 2066368 IFLab1_001416 CC(C)(C)NC(=O)CN1C(=O)S/C(=C\c2ccccc2)/C1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A09 compound treatment 0.384 -0.00572 -0.21 0.382 -0.00748 -0.48 -0.4909 -0.9301 1157814 IFLab1_001417 Fc1ccccc1NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A10 compound treatment 0.385 -0.00472 -0.17 0.384 -0.00548 -0.35 -0.3735 -0.9457 2066369 IFLab1_001418 CCC(=O)Nc1c2CSCc2nn1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A11 compound treatment 0.377 -0.0127 -0.47 0.38 -0.00948 -0.61 -0.7642 -0.9909 2066370 IFLab1_001419 O/N=C/c1cn(CCC#N)nc1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A12 compound treatment 0.421 0.0313 1.15 0.413 0.0235 1.52 1.8883 0.9904 1130107 IFLab1_001420 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)C4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A13 compound treatment 0.387 -0.00272 -0.1 0.381 -0.00848 -0.55 -0.4588 -0.8222 1258421 IFLab1_001421 CSCCC(N1C(=O)CSC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A14 compound treatment 0.356 -0.0337 -1.24 0.383 -0.00648 -0.42 -1.1722 -0.8966 1742527 IFLab1_001422 CC(=O)Oc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A15 compound treatment 0.377 -0.0127 -0.47 0.374 -0.0155 -1.0 -1.0388 -0.9396 2066371 IFLab1_001423 CN1CCN(CC1)C(=O)CCN2C(=O)S/C(=C/c3ccc(C)cc3)/C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A16 compound treatment 0.39 2.81E-4 0.01 0.384 -0.00548 -0.35 -0.2436 -0.6862 1561178 IFLab1_001424 Fc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A17 compound treatment 0.371 -0.0187 -0.69 0.377 -0.0125 -0.81 -1.0573 -0.9968 2066372 IFLab1_001425 COc1cccc(/C=C/2\SC(=O)N(CCC(=O)O)C2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A18 compound treatment 0.385 -0.00472 -0.17 0.378 -0.0115 -0.74 -0.648 -0.8492 1347239 IFLab1_001426 COC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A19 compound treatment 0.401 0.0113 0.41 0.404 0.0145 0.94 0.9572 0.9323 2066373 IFLab1_001427 CCCC(N1C(=O)/C(=C/c2ccccc2Cl)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A20 compound treatment 0.384 -0.00572 -0.21 0.377 -0.0125 -0.81 -0.7197 -0.8623 2066374 IFLab1_001428 CCCc1cc(=O)oc2cc(OC)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A21 compound treatment 0.381 -0.00872 -0.32 0.381 -0.00848 -0.55 -0.6146 -0.967 1647010 IFLab1_001429 Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A22 compound treatment 0.379 -0.0107 -0.39 0.372 -0.0175 -1.13 -1.0784 -0.9002 1718551 IFLab1_001430 CC(=O)Oc1ccc2c(cc(=O)oc2c1C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A23 mock treatment 0.376 -0.0137 -0.5 0.379 -0.0105 -0.68 -0.8359 -0.9893 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 A24 mock treatment 0.354 -0.0357 -1.31 0.355 -0.0345 -2.23 -2.5054 -0.9679 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B01 compound treatment 0.395 0.00528 0.19 0.402 0.0125 0.81 0.7098 0.8523 1417741 IFLab1_001431 CCOc1cc2oc(=O)cc(c3ccccc3)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B02 compound treatment 0.406 0.0163 0.6 0.402 0.0125 0.81 0.9955 0.9888 1377384 IFLab1_001432 O=C(Nc1nc(cs1)c2ccccc2)c3cc(=O)c4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B03 compound treatment 0.366 -0.0237 -0.87 0.36 -0.0295 -1.91 -1.965 -0.9369 1250399 IFLab1_001433 Oc1cc(O)c2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B04 compound treatment 0.404 0.0143 0.52 0.402 0.0125 0.81 0.9435 0.9779 1678427 IFLab1_001434 CCOC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B05 compound treatment 0.41 0.0203 0.74 0.407 0.0175 1.13 1.3281 0.9792 1662612 IFLab1_001435 O=C(COc1ccc2c3CCCc3c(=O)oc2c1)OCc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B06 compound treatment 0.403 0.0133 0.49 0.403 0.0135 0.87 0.9633 0.962 1730696 IFLab1_001436 CC(C)(CO)NC(=O)c1ccccc1F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B07 compound treatment 0.406 0.0163 0.6 0.402 0.0125 0.81 0.9955 0.9888 1373454 IFLab1_001437 CC(Oc1cc(C)cc2oc(=O)c3CCCCc3c12)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B08 compound treatment 0.41 0.0203 0.74 0.412 0.0225 1.46 1.5569 0.9515 2066375 IFLab1_001438 CC(C)CCn1c(CO)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B09 compound treatment 0.418 0.0283 1.04 0.402 0.0125 0.81 1.3071 0.9924 1469532 IFLab1_001439 CN(C)Cc1c(O)ccc2c(cc(=O)oc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B10 compound treatment 0.402 0.0123 0.45 0.403 0.0135 0.87 0.9374 0.9525 1327495 IFLab1_001440 CCn1c(COc2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B11 compound treatment 0.393 0.00328 0.12 0.386 -0.00348 -0.23 -0.0742 -0.2903 1278001 IFLab1_001441 Cc1c(O)c(CN2CCCC2)cc3c4CCCCc4c(=O)oc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B12 compound treatment 0.403 0.0133 0.49 0.405 0.0155 1.0 1.0549 0.945 1002093 IFLab1_001442 CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B13 compound treatment 0.417 0.0273 1.0 0.409 0.0195 1.26 1.6014 0.9934 1675366 IFLab1_001443 CC(=C)COc1ccc2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B14 compound treatment 0.413 0.0233 0.85 0.408 0.0185 1.2 1.4518 0.9863 1264606 IFLab1_001444 Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccs3)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B15 compound treatment 0.403 0.0133 0.49 0.405 0.0155 1.0 1.0549 0.945 1184152 IFLab1_001445 N#CC(=C1C=C(Oc2ccccc12)c3ccccc3)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B16 compound treatment 0.426 0.0363 1.33 0.413 0.0235 1.52 2.0181 0.9978 2066376 IFLab1_001446 Fc1ccccc1NC(=O)CSc2nnc(NC(=O)c3cccs3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B17 compound treatment 0.411 0.0213 0.78 0.413 0.0235 1.52 1.6287 0.952 2066377 IFLab1_001447 O=c1cc(oc-2c1Cc3ccccc32)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B18 compound treatment 0.401 0.0113 0.41 0.4 0.0105 0.68 0.7741 0.9717 1726638 IFLab1_001448 CCCC(=O)Nc1nnc(SCC(=O)N2CCc3ccccc23)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B19 compound treatment 0.407 0.0173 0.63 0.407 0.0175 1.13 1.2502 0.9624 1180953 IFLab1_001449 CCN(CC)c1ccc2cc(c3nnc(o3)c4cccs4)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B20 compound treatment 0.409 0.0193 0.71 0.404 0.0145 0.94 1.1649 0.9903 1721660 IFLab1_001450 CCC(=O)Nc1nnc(SCc2cccc(F)c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B21 compound treatment 0.403 0.0133 0.49 0.404 0.0145 0.94 1.0091 0.9534 1403641 IFLab1_001451 O=C(N1CCc2ccccc12)c3ccc(cc3)N4C(=O)CCC4=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B22 compound treatment 0.395 0.00528 0.19 0.397 0.00752 0.49 0.4811 0.9187 1575463 IFLab1_001452 CCOC(=O)CSc1nnc(NC(=O)CC)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B23 mock treatment 0.402 0.0123 0.45 0.393 0.00352 0.23 0.4798 0.9498 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 B24 mock treatment 0.39 2.81E-4 0.01 0.391 0.00152 0.1 0.0767 0.7772 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C01 compound treatment 0.373 -0.0167 -0.61 0.378 -0.0115 -0.74 -0.9596 -0.9955 1728261 IFLab1_001453 CSc1nc2ccc(NC(=O)c3ccc(cc3)N(C)C)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C02 compound treatment 0.354 -0.0357 -1.31 0.349 -0.0405 -2.62 -2.78 -0.9489 2066378 IFLab1_001454 CCOc1ccc2C(=O)/C(=C\c3ccccc3O)/Sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C03 compound treatment 0.421 0.0313 1.15 0.421 0.0315 2.04 2.2544 0.9631 1133641 IFLab1_001455 COc1ccc(cc1)c2csc(NC(=O)CCOc3ccccc3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C04 compound treatment 0.435 0.0453 1.66 0.419 0.0295 1.91 2.5264 0.9976 2066379 IFLab1_001456 COc1cccc(c1)N2C(=O)/C(=C/c3cccc(O)c3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C05 compound treatment 0.385 -0.00472 -0.17 0.376 -0.0135 -0.87 -0.7395 -0.8313 2066380 IFLab1_001457 O=S(=O)(NCCCN1CCOCC1)c2ccc3ccccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C06 compound treatment 0.383 -0.00672 -0.25 0.381 -0.00848 -0.55 -0.5627 -0.9348 2066381 IFLab1_001458 CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)/SC2=S)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C07 compound treatment 0.389 -7.19E-4 -0.03 0.389 -4.84E-4 -0.03 -0.0408 -0.9964 2066382 IFLab1_001459 CC(C)N1C(=O)/C(=C\c2ccc(cc2)C(F)(F)F)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C08 compound treatment 1.45 1.06 38.94 1.397 1.01 65.2 73.6337 0.9696 2066383 IFLab1_001460 CC(N1C(=O)/C(=C\c2ccco2)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C09 compound treatment 0.423 0.0333 1.22 0.414 0.0245 1.59 1.986 0.9917 1258028 IFLab1_001461 Fc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C10 compound treatment 0.382 -0.00772 -0.28 0.385 -0.00448 -0.29 -0.4056 -0.9999 1469046 IFLab1_001462 CC(C)C(=O)Nc1c2CSCc2nn1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C11 compound treatment 0.367 -0.0227 -0.83 0.367 -0.0225 -1.45 -1.6187 -0.9652 2066384 IFLab1_001463 Cc1ccc(o1)c2nn(cc2C#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C12 compound treatment 0.395 0.00528 0.19 0.394 0.00452 0.29 0.3438 0.9802 1320609 IFLab1_001464 CC(C)(C)n1nc2CSCc2c1NC(=O)COc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C13 compound treatment 0.448 0.0583 2.14 0.445 0.0555 3.59 4.0537 0.9694 1922484 IFLab1_001465 OC(=O)CN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C14 compound treatment 0.388 -0.00172 -0.06 0.389 -4.84E-4 -0.03 -0.0668 -0.9477 1454292 IFLab1_001466 COc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C15 compound treatment 0.45 0.0603 2.21 0.473 0.0835 5.4 5.3868 0.9224 2066385 IFLab1_001467 COc1ccccc1/C=C\2/SC(=O)N(CCC(=O)Nc3ccccc3)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C16 compound treatment 0.47 0.0803 2.95 0.497 0.108 6.96 7.0044 0.9269 1301535 IFLab1_001468 Clc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C17 compound treatment 0.609 0.219 8.05 0.642 0.253 16.34 17.2486 0.9468 2066386 IFLab1_001469 CCN(CC)C(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C18 compound treatment 0.389 -7.19E-4 -0.03 0.39 5.16E-4 0.03 0.005 0.1164 1329720 IFLab1_001470 Cc1cc(=O)oc2cc(OCC(=O)N)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C19 compound treatment 0.446 0.0563 2.07 0.454 0.0645 4.17 4.4136 0.9474 2066387 IFLab1_001471 CCCC(N1C(=O)/C(=C/c2ccc(C)cc2)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C20 compound treatment 0.381 -0.00872 -0.32 0.379 -0.0105 -0.68 -0.7061 -0.9413 2066388 IFLab1_001472 CCCc1cc(=O)oc2cc(OCC)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C21 compound treatment 0.42 0.0303 1.11 0.425 0.0355 2.3 2.4114 0.9445 1207391 IFLab1_001473 Cc1[nH]c2ccccc2c1C(Nc3ccccn3)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C22 compound treatment 0.38 -0.00972 -0.36 0.378 -0.0115 -0.74 -0.7778 -0.9435 1609929 IFLab1_001474 CCOc1ccc2c(cc(=O)oc2c1C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C23 mock treatment 0.375 -0.0147 -0.54 0.374 -0.0155 -1.0 -1.0907 -0.958 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 C24 mock treatment 0.368 -0.0217 -0.8 0.373 -0.0165 -1.07 -1.3182 -0.9897 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D01 compound treatment 0.397 0.00728 0.27 0.392 0.00252 0.16 0.3042 0.9717 1275473 IFLab1_001475 COC(=O)COc1cc2oc(=O)cc(c3ccccc3)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D02 compound treatment 0.392 0.00228 0.08 0.393 0.00352 0.23 0.2201 0.9079 1507053 IFLab1_001476 Clc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D03 compound treatment 0.398 0.00828 0.3 0.397 0.00752 0.49 0.559 0.9744 1548289 IFLab1_001477 CC(=O)Oc1cc(OC(=O)C)c2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D04 compound treatment 0.393 0.00328 0.12 0.397 0.00752 0.49 0.4291 0.8564 1731317 IFLab1_001478 Brc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D05 compound treatment 0.395 0.00528 0.19 0.399 0.00952 0.62 0.5726 0.8869 1184556 IFLab1_001479 CCOC(=O)C(C)Oc1ccc2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D06 compound treatment 0.395 0.00528 0.19 0.391 0.00152 0.1 0.2065 0.9502 1549066 IFLab1_001480 CC(C)(CO)NC(=O)c1ccc(Cl)cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D07 compound treatment 0.408 0.0183 0.67 0.404 0.0145 0.94 1.1389 0.9864 1407462 IFLab1_001481 Cc1cc(OCC(=O)N)c2c3CCCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D08 compound treatment 0.405 0.0153 0.56 0.396 0.00652 0.42 0.695 0.9901 2066389 IFLab1_001482 CCCn1c(CO)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D09 compound treatment 0.4 0.0103 0.38 0.393 0.00352 0.23 0.4279 0.9706 1222573 IFLab1_001483 CN1CCN(Cc2c(O)ccc3c(cc(=O)oc23)c4ccccc4)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D10 compound treatment 0.388 -0.00172 -0.06 0.396 0.00652 0.42 0.2535 0.5946 2066390 IFLab1_001484 CC(C)n1c(COc2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D11 compound treatment 0.391 0.00128 0.05 0.39 5.16E-4 0.03 0.0569 0.9859 1596779 IFLab1_001485 Cc1c(O)c(CN2CCOCC2)cc3c(cc(=O)oc13)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D12 compound treatment 0.412 0.0223 0.82 0.416 0.0265 1.72 1.7919 0.9426 1247768 IFLab1_001486 CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D13 compound treatment 0.408 0.0183 0.67 0.396 0.00652 0.42 0.7729 0.9749 1379272 IFLab1_001487 O=C(COc1ccc2c3CCCc3c(=O)oc2c1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D14 compound treatment 0.421 0.0313 1.15 0.428 0.0385 2.49 2.5747 0.9382 1659161 IFLab1_001488 Cc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCCCC3)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D15 compound treatment 0.42 0.0303 1.11 0.42 0.0305 1.97 2.1827 0.9631 1413686 IFLab1_001489 N#CC(=C1C=C(Sc2ccccc12)c3ccccc3)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D16 compound treatment 0.417 0.0273 1.0 0.416 0.0265 1.72 1.9217 0.9672 2066391 IFLab1_001490 CC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D17 compound treatment 0.36 -0.0297 -1.09 0.365 -0.0245 -1.58 -1.892 -0.9834 1685836 IFLab1_001491 c1cnc2ccc(cc2c1)c3ccc4ncccc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D18 compound treatment 0.399 0.00928 0.34 0.401 0.0115 0.75 0.768 0.9371 1651045 IFLab1_001492 O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D19 compound treatment 0.394 0.00428 0.16 0.395 0.00552 0.36 0.3636 0.9321 2066392 IFLab1_001493 OC(=O)c1cc(=O)[nH]c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D20 compound treatment 0.359 -0.0307 -1.13 0.394 0.00452 0.29 -0.591 -0.5072 1332183 IFLab1_001494 CC(C)C(=O)Nc1nnc(SCc2cccc(F)c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D21 compound treatment 0.39 2.81E-4 0.01 0.398 0.00852 0.55 0.397 0.7202 1205400 IFLab1_001495 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N2CCc3ccccc3C2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D22 compound treatment 0.395 0.00528 0.19 0.39 5.16E-4 0.03 0.1608 0.8169 1310468 IFLab1_001496 CCOC(=O)CSc1nnc(NC(=O)C(C)C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D23 mock treatment 0.391 0.00128 0.05 0.392 0.00252 0.16 0.1484 0.8756 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 D24 mock treatment 0.386 -0.00372 -0.14 0.389 -4.84E-4 -0.03 -0.1187 -0.8473 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E01 compound treatment 0.536 0.146 5.37 0.54 0.151 9.74 10.6857 0.9607 1152420 IFLab1_001497 CN(C)c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E02 compound treatment 0.41 0.0203 0.74 0.404 0.0145 0.94 1.1909 0.9934 2066393 IFLab1_001498 Fc1ccccc1OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E03 compound treatment 0.404 0.0143 0.52 0.401 0.0115 0.75 0.8978 0.9852 1125027 IFLab1_001499 Cc1cc(NC(=O)CCOc2ccccc2)no1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E04 compound treatment 0.476 0.0863 3.17 0.459 0.0695 4.5 5.4213 0.9853 2066394 IFLab1_001500 COc1cccc(c1)N2C(=O)/C(=C/c3ccco3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E05 compound treatment 0.399 0.00928 0.34 0.4 0.0105 0.68 0.7222 0.9489 1350022 IFLab1_001501 Fc1ccc(cc1)C(=O)N2CCCC3C=CC=CC32 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E06 compound treatment 0.426 0.0363 1.33 0.412 0.0225 1.46 1.9724 0.999 2066395 IFLab1_001502 COc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E07 compound treatment 0.408 0.0183 0.67 0.397 0.00752 0.49 0.8186 0.9875 2066396 IFLab1_001503 Clc1c(CSc2nncn2c3ccccc3)nc4ncccn14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E08 compound treatment 0.572 0.182 6.69 0.563 0.174 11.23 12.673 0.9694 2066397 IFLab1_001504 CC(N1C(=O)/C(=C\c2ccc(Br)cc2)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E09 compound treatment 0.408 0.0183 0.67 0.4 0.0105 0.68 0.9559 1.0 2066398 IFLab1_001505 CC(=O)NC1=NC(=O)CS1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E10 compound treatment 0.429 0.0393 1.44 0.425 0.0355 2.3 2.6451 0.9748 1210816 IFLab1_001506 CC(C)(C)n1nc2CSCc2c1NC(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E11 compound treatment 0.424 0.0343 1.26 0.446 0.0565 3.66 3.4762 0.8987 2066399 IFLab1_001507 O=c1oc2ccccc2cc1c3nn(cc3C#N)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E12 compound treatment 0.411 0.0213 0.78 0.399 0.00952 0.62 0.988 0.993 1584875 IFLab1_001508 CCCC(=O)Nc1c2CSCc2nn1c3ccc(OC)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E13 compound treatment 0.448 0.0583 2.14 0.428 0.0385 2.49 3.2758 0.9971 1913451 IFLab1_001509 OC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E14 compound treatment 0.459 0.0693 2.54 0.46 0.0705 4.56 5.0257 0.9619 1289218 IFLab1_001510 CCCOc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E15 compound treatment 0.63 0.24 8.82 0.615 0.226 14.59 16.5584 0.971 2066400 IFLab1_001511 CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E16 compound treatment 0.432 0.0423 1.55 0.401 0.0115 0.75 1.6248 0.9435 1682566 IFLab1_001512 Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E17 compound treatment 0.526 0.136 5.0 0.613 0.224 14.46 13.7664 0.8994 2066401 IFLab1_001513 Cc1ccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E18 compound treatment 0.446 0.0563 2.07 0.433 0.0435 2.82 3.4526 0.9884 1411884 IFLab1_001514 CCOc1cc2oc(=O)cc(C)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E19 compound treatment 1.051 0.661 24.28 0.913 0.524 33.88 41.1262 0.9867 2066402 IFLab1_001515 CCOc1cc(/C=C/2\SC(=S)N(C(C(C)C)C(=O)O)C2=O)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E20 compound treatment 0.411 0.0213 0.78 0.411 0.0215 1.39 1.5371 0.9627 1476798 IFLab1_001516 CCCc1cc(=O)oc2cc(OCC(=O)O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E21 compound treatment 0.401 0.0113 0.41 0.406 0.0165 1.07 1.0487 0.9149 1428720 IFLab1_001517 OCCN1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E22 compound treatment 0.4 0.0103 0.38 0.391 0.00152 0.1 0.3363 0.8622 1122185 IFLab1_001518 CCc1cc2c(cc(=O)oc2cc1O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E23 mock treatment 0.393 0.00328 0.12 0.398 0.00852 0.55 0.4749 0.8418 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 E24 mock treatment 0.398 0.00828 0.3 0.398 0.00852 0.55 0.6047 0.9607 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F01 compound treatment 0.399 0.00928 0.34 0.403 0.0135 0.87 0.8595 0.9156 1303820 IFLab1_001519 CCOC(=O)COc1cc2oc(=O)cc(c3ccccc3)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F02 compound treatment 0.418 0.0283 1.04 0.415 0.0255 1.65 1.9019 0.975 1326772 IFLab1_001520 COc1ccccc1NC(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F03 compound treatment 0.409 0.0193 0.71 0.411 0.0215 1.39 1.4852 0.9508 1206227 IFLab1_001521 COc1cc(OC)c2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F04 compound treatment 0.404 0.0143 0.52 0.41 0.0205 1.33 1.3096 0.9174 1464242 IFLab1_001522 O=C(N1CCc2ccccc12)c3cc(=O)c4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F05 compound treatment 0.414 0.0243 0.89 0.406 0.0165 1.07 1.3862 0.9959 1225694 IFLab1_001523 CC(Oc1ccc2c3CCCc3c(=O)oc2c1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F06 compound treatment 0.407 0.0173 0.63 0.407 0.0175 1.13 1.2502 0.9624 1584088 IFLab1_001524 CC(C)(CO)NC(=O)C(c1ccccc1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F07 compound treatment 0.424 0.0343 1.26 0.414 0.0245 1.59 2.012 0.9934 1220389 IFLab1_001525 COc1cc(OC)c2c3CCCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F08 compound treatment 0.413 0.0233 0.85 0.408 0.0185 1.2 1.4518 0.9863 2066403 IFLab1_001526 OCc1nc2ccccc2n1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F09 compound treatment 0.394 0.00428 0.16 0.406 0.0165 1.07 0.8669 0.8025 1176846 IFLab1_001527 Oc1ccc2c(cc(=O)oc2c1CN3CCOCC3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F10 compound treatment 0.407 0.0173 0.63 0.401 0.0115 0.75 0.9757 0.9968 2066404 IFLab1_001528 Cn1c(COc2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F11 compound treatment 0.423 0.0333 1.22 0.427 0.0375 2.43 2.5809 0.9495 1208562 IFLab1_001529 CCN(CC)Cc1cc2c(cc(=O)oc2c(C)c1O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F12 compound treatment 0.438 0.0483 1.77 0.437 0.0475 3.07 3.4279 0.9658 1287153 IFLab1_001530 CCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F13 compound treatment 0.459 0.0693 2.54 0.45 0.0605 3.92 4.5681 0.9782 1590271 IFLab1_001531 CC1=CC(C=C(O1)c2ccccc2)C(C#N)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F14 compound treatment 0.419 0.0293 1.08 0.417 0.0275 1.78 2.0194 0.9708 1707654 IFLab1_001532 Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3ccccc3F)s2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F15 compound treatment 0.406 0.0163 0.6 0.41 0.0205 1.33 1.3615 0.9351 2066405 IFLab1_001533 CCCC[n+]1c(C)sc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F16 compound treatment 0.445 0.0553 2.03 0.445 0.0555 3.59 3.9758 0.9635 2066406 IFLab1_001534 CCCC(=O)Nc1nnc(SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F17 compound treatment 0.413 0.0233 0.85 0.423 0.0335 2.17 2.1382 0.9172 1592207 IFLab1_001535 CCOCC(=O)NC1(CC2CC3CC(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F18 compound treatment 0.412 0.0223 0.82 0.421 0.0315 2.04 2.0207 0.9195 1686691 IFLab1_001536 O=C(CSc1nnc(NC(=O)c2ccccc2)s1)N3CCc4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F19 compound treatment 0.656 0.266 9.78 0.633 0.244 15.76 18.0572 0.9737 1559933 IFLab1_001537 Oc1ccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F20 compound treatment 0.46 0.0703 2.58 0.447 0.0575 3.72 4.4568 0.984 1507214 IFLab1_001538 Fc1cccc(CSc2nnc(NC(=O)COc3ccccc3)s2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F21 compound treatment 0.404 0.0143 0.52 0.405 0.0155 1.0 1.0808 0.9541 1148185 IFLab1_001539 O=C(N1CCc2ccccc2C1)c3ccc(cc3)S(=O)(=O)N4CCCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F22 compound treatment 0.405 0.0153 0.56 0.404 0.0145 0.94 1.061 0.9697 1244303 IFLab1_001540 CCOC(=O)CSc1nnc(NC(=O)C2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F23 mock treatment 0.404 0.0143 0.52 0.394 0.00452 0.29 0.5775 0.9619 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 F24 mock treatment 0.398 0.00828 0.3 0.401 0.0115 0.75 0.742 0.9219 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G01 compound treatment 0.396 0.00628 0.23 0.386 -0.00348 -0.23 0.0037 0.0114 1682851 IFLab1_001541 CN(C)c1ccc(cc1)C(=O)Nc2cc(C)on2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G02 compound treatment 0.398 0.00828 0.3 0.398 0.00852 0.55 0.6047 0.9607 2066407 IFLab1_001542 CC(N)(C(=O)O)c1cccc(OCc2ccccc2F)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G03 compound treatment 0.394 0.00428 0.16 0.404 0.0145 0.94 0.7754 0.8141 1599345 IFLab1_001543 NC(=O)c1c(NC(=O)CCOc2ccccc2)sc3CCCCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G04 compound treatment 0.403 0.0133 0.49 0.407 0.0175 1.13 1.1464 0.929 2066408 IFLab1_001544 COC(=O)c1ccc(/C=C/2\SC(=S)N(C2=O)c3cccc(OC)c3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G05 compound treatment 0.396 0.00628 0.23 0.398 0.00852 0.55 0.5528 0.9253 1224648 IFLab1_001545 O=C(N1CCN(Cc2ccccc2)CC1)c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G06 compound treatment 0.416 0.0263 0.97 0.406 0.0165 1.07 1.4382 0.9987 2066409 IFLab1_001546 Oc1ccc(cc1)N2C(=O)S/C(=C\c3ccccc3)/C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G07 compound treatment 0.401 0.0113 0.41 0.399 0.00952 0.62 0.7284 0.9814 1557893 IFLab1_001547 O=C(Nc1nc(cs1)c2ccccc2)C3CCCO3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G08 compound treatment 0.632 0.242 8.9 0.627 0.238 15.37 17.1595 0.9662 2066410 IFLab1_001548 Cc1ccc(/C=C/2\SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G09 compound treatment 0.394 0.00428 0.16 0.4 0.0105 0.68 0.5924 0.8481 2066411 IFLab1_001549 O=C(NC1=NC(=O)CS1)C2CC2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G10 compound treatment 0.413 0.0233 0.85 0.412 0.0225 1.46 1.6348 0.9677 1332028 IFLab1_001550 O=C(Nc1c2CSCc2nn1c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G11 compound treatment 0.44 0.0503 1.85 0.436 0.0465 3.01 3.4341 0.9725 2066412 IFLab1_001551 N#Cc1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G12 compound treatment 0.449 0.0593 2.18 0.432 0.0425 2.75 3.4848 0.9933 2066413 IFLab1_001552 CCC(CC)C(=O)Nc1c2CSCc2nn1c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G13 compound treatment 0.566 0.176 6.47 0.555 0.166 10.71 12.1511 0.9709 2066414 IFLab1_001553 CC(C)C(N1C(=O)/C(=C\2/C(=O)Nc3ccccc23)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G14 compound treatment 0.401 0.0113 0.41 0.399 0.00952 0.62 0.7284 0.9814 1337075 IFLab1_001554 COC(=O)COc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G15 compound treatment 0.429 0.0393 1.44 0.438 0.0485 3.14 3.24 0.9377 2066415 IFLab1_001555 CN1CCN(CC1)C(=O)CN2C(=O)/C(=C/c3ccc(C)cc3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G16 compound treatment 0.435 0.0453 1.66 0.433 0.0435 2.82 3.167 0.9684 1232944 IFLab1_001556 Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G17 compound treatment 0.417 0.0273 1.0 0.412 0.0225 1.46 1.7387 0.9833 2066416 IFLab1_001557 OC(=O)CN1C(=O)S/C(=C\c2ccccc2Cl)/C1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G18 compound treatment 0.43 0.0403 1.48 0.428 0.0385 2.49 2.8084 0.969 1653969 IFLab1_001558 COC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G19 compound treatment 1.577 1.19 43.6 1.239 0.85 54.97 69.7017 0.9934 2066417 IFLab1_001559 CCOc1cc(/C=C/2\SC(=S)N(C(C)C(=O)O)C2=O)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G20 compound treatment 0.409 0.0193 0.71 0.406 0.0165 1.07 1.2564 0.98 1702937 IFLab1_001560 CCCOc1ccc2c(C)c(CCC)c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G21 compound treatment 0.453 0.0633 2.32 0.424 0.0345 2.23 3.2226 0.9998 2066418 IFLab1_001561 CC1=CC(=O)/C(=C\c2c(O)cc(C)oc2=O)/C(=O)O1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G22 compound treatment 0.392 0.00228 0.08 0.39 5.16E-4 0.03 0.0829 0.9187 1172857 IFLab1_001562 CCCc1cc2c(cc(=O)oc2cc1OC(=O)C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G23 mock treatment 0.391 0.00128 0.05 0.39 5.16E-4 0.03 0.0569 0.9859 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 G24 mock treatment 0.391 0.00128 0.05 0.391 0.00152 0.1 0.1026 0.9433 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H01 compound treatment 0.401 0.0113 0.41 0.399 0.00952 0.62 0.7284 0.9814 1534948 IFLab1_001563 CCOC(=O)C(C)Oc1cc2oc(=O)cc(c3ccccc3)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H02 compound treatment 0.397 0.00728 0.27 0.401 0.0115 0.75 0.716 0.9044 1297509 IFLab1_001564 COc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H03 compound treatment 0.402 0.0123 0.45 0.399 0.00952 0.62 0.7543 0.9883 1220421 IFLab1_001565 CCOc1cc(OCC)c2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H04 compound treatment 0.398 0.00828 0.3 0.398 0.00852 0.55 0.6047 0.9607 1413645 IFLab1_001566 CC(NC(=O)C(c1ccccc1)c2ccccc2)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H05 compound treatment 0.401 0.0113 0.41 0.405 0.0155 1.0 1.0029 0.9233 1632768 IFLab1_001567 O=c1oc2cc(OCc3ccccc3)ccc2c4CCCc41 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H06 compound treatment 0.398 0.00828 0.3 0.397 0.00752 0.49 0.559 0.9744 2066419 IFLab1_001568 CCCn1c(CC)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H07 compound treatment 0.404 0.0143 0.52 0.406 0.0165 1.07 1.1266 0.9463 2066420 IFLab1_001569 CCC(NCc1c(O)ccc2c3CCCc3c(=O)oc12)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H08 compound treatment 0.398 0.00828 0.3 0.404 0.0145 0.94 0.8793 0.8905 2066421 IFLab1_001570 CC(C)Cn1c(CO)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H09 compound treatment 0.396 0.00628 0.23 0.391 0.00152 0.1 0.2325 0.9275 1583196 IFLab1_001571 CN1CCN(Cc2c(O)cc(C)c3c4ccccc4c(=O)oc23)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H10 compound treatment 0.393 0.00328 0.12 0.406 0.0165 1.07 0.8409 0.7819 2066422 IFLab1_001572 CC(C)n1c(CO)nc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H11 compound treatment 0.401 0.0113 0.41 0.41 0.0205 1.33 1.2317 0.8856 1588833 IFLab1_001573 Cc1cc2oc(=O)cc(c3ccccc3)c2c(O)c1CN4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H12 compound treatment 0.395 0.00528 0.19 0.402 0.0125 0.81 0.7098 0.8523 1590861 IFLab1_001574 CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H13 compound treatment 0.442 0.0523 1.92 0.421 0.0315 2.04 2.7997 0.9995 1060778 IFLab1_001575 O=C(CC(C1CCCCC1=O)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H14 compound treatment 0.413 0.0233 0.85 0.421 0.0315 2.04 2.0466 0.9255 1392262 IFLab1_001576 CCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H15 compound treatment 0.406 0.0163 0.6 0.402 0.0125 0.81 0.9955 0.9888 2066423 IFLab1_001577 CC(C)(C)c1ccc2ccccc2[o+]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H16 compound treatment 0.401 0.0113 0.41 0.401 0.0115 0.75 0.8199 0.9616 1536325 IFLab1_001578 Cc1ccc(cc1)C(=O)Nc2nnc(SCC(=O)N3CCCCC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H17 compound treatment 0.418 0.0283 1.04 0.417 0.0275 1.78 1.9934 0.9671 1514764 IFLab1_001579 COC(=O)c1cc(Br)ccc1OC(=O)c2cccnc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H18 compound treatment 0.46 0.0703 2.58 0.441 0.0515 3.33 4.1822 0.992 2066424 IFLab1_001580 CC(=O)Nc1nnc(SCc2ccc(cc2)C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H19 compound treatment 0.405 0.0153 0.56 0.402 0.0125 0.81 0.9695 0.9839 2066425 IFLab1_001581 CCCOC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H20 compound treatment 0.452 0.0623 2.29 0.444 0.0545 3.53 4.1118 0.978 1426131 IFLab1_001582 Fc1cccc(CSc2nnc(NC(=O)Cc3ccccc3)s2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H21 compound treatment 0.401 0.0113 0.41 0.404 0.0145 0.94 0.9572 0.9323 1540083 IFLab1_001583 O=C(N1CCc2ccccc2C1)c3ccc(cc3)N4C(=O)CCC4=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H22 compound treatment 0.398 0.00828 0.3 0.401 0.0115 0.75 0.742 0.9219 1462660 IFLab1_001584 CCOC(=O)CSc1nnc(NC(=O)C2CCCCC2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H23 mock treatment 0.396 0.00628 0.23 0.405 0.0155 1.0 0.8731 0.8475 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 H24 mock treatment 0.399 0.00928 0.34 0.386 -0.00348 -0.23 0.0816 0.1997 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I01 compound treatment 0.454 0.0643 2.36 0.445 0.0555 3.59 4.2095 0.9792 1191498 IFLab1_001585 Brc1ccc2nc(NC(=O)CCOc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I02 compound treatment 0.404 0.0143 0.52 0.399 0.00952 0.62 0.8063 0.9968 1337876 IFLab1_001586 NC(=O)c1cc(Br)c(O)c(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I03 compound treatment 0.406 0.0163 0.6 0.401 0.0115 0.75 0.9497 0.994 1403897 IFLab1_001587 Cc1csc(NC(=O)CCCC(=O)O)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I04 compound treatment 0.469 0.0793 2.91 0.46 0.0705 4.56 5.2853 0.9764 2066426 IFLab1_001588 CCN(CC)c1ccc(cc1)N2C(=O)/C(=C/c3ccccc3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I05 compound treatment 0.425 0.0353 1.3 0.435 0.0455 2.95 2.9989 0.932 2066427 IFLab1_001589 CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I06 compound treatment 0.512 0.122 4.49 0.485 0.0955 6.18 7.5458 0.9877 2066428 IFLab1_001590 Oc1ccc(/N=C/2\S/C(=C\c3ccccc3)/C(=O)N2c4ccc(O)cc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I07 compound treatment 0.398 0.00828 0.3 0.406 0.0165 1.07 0.9708 0.8736 1519257 IFLab1_001591 Cc1ccc(cc1)S(=O)(=O)NC(CC(=O)O)c2ccc(F)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I08 compound treatment 0.827 0.437 16.06 0.799 0.41 26.5 30.0933 0.9712 2066429 IFLab1_001592 CC(N1C(=O)/C(=C/c2cccc3ccccc23)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I09 compound treatment 0.41 0.0203 0.74 0.403 0.0135 0.87 1.1451 0.9968 1918681 IFLab1_001593 OC(=O)c1cn(nc1c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I10 compound treatment 0.433 0.0433 1.59 0.442 0.0525 3.4 3.5269 0.9401 2066430 IFLab1_001594 O=C(Nc1c2CSCc2nn1c3ccccc3)/C=C/c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I11 compound treatment 0.418 0.0283 1.04 0.415 0.0255 1.65 1.9019 0.975 2066431 IFLab1_001595 CCc1ccc(cc1)c2nn(cc2C#N)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I12 compound treatment 0.453 0.0633 2.32 0.449 0.0595 3.85 4.3665 0.9707 2066432 IFLab1_001596 CC(C)CC(=O)Nc1c2CSCc2nn1c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I13 compound treatment 0.53 0.14 5.15 0.533 0.144 9.29 10.2096 0.9613 1916983 IFLab1_001597 CC(C)C(N1C(=O)/C(=C/c2ccccc2)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I14 compound treatment 0.413 0.0233 0.85 0.408 0.0185 1.2 1.4518 0.9863 1176011 IFLab1_001598 OC(=O)COc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I15 compound treatment 0.415 0.0253 0.93 0.432 0.0425 2.75 2.6019 0.8961 2066433 IFLab1_001599 Oc1ccccc1NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I16 compound treatment 0.397 0.00728 0.27 0.409 0.0195 1.26 1.0821 0.8382 1641566 IFLab1_001600 CCOC(=O)COc1ccc2ccc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I17 compound treatment 0.559 0.169 6.22 0.537 0.148 9.55 11.1457 0.9784 2066434 IFLab1_001601 CCC(N1C(=O)/C(=C/c2ccccc2)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I18 compound treatment 0.415 0.0253 0.93 0.419 0.0295 1.91 2.0071 0.9451 1136950 IFLab1_001602 CCOC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I19 compound treatment 0.51 0.12 4.42 0.461 0.0715 4.63 6.3957 0.9997 2066435 IFLab1_001603 O=C(CCN1C(=O)/C(=C/c2ccccc2)/SC1=S)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I20 compound treatment 0.406 0.0163 0.6 0.409 0.0195 1.26 1.3158 0.9417 1634155 IFLab1_001604 CCCc1c(C)c2ccc(OCC(=O)OC)cc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I21 compound treatment 0.4 0.0103 0.38 0.395 0.00552 0.36 0.5194 0.9996 1631732 IFLab1_001605 Oc1c(CN2CCc3ccccc3C2)cc(Cl)c4cccnc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I22 compound treatment 0.389 -7.19E-4 -0.03 0.391 0.00152 0.1 0.0507 0.4991 1657318 IFLab1_001606 CCCc1cc2c(cc(=O)oc2cc1O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I23 mock treatment 0.403 0.0133 0.49 0.396 0.00652 0.42 0.643 0.9974 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 I24 mock treatment 0.401 0.0113 0.41 0.392 0.00252 0.16 0.4081 0.9168 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J01 compound treatment 0.351 -0.0387 -1.42 0.356 -0.0335 -2.17 -2.5375 -0.9791 1497163 IFLab1_001607 Cc1cc(O)c2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J02 compound treatment 0.409 0.0193 0.71 0.417 0.0275 1.78 1.7598 0.9183 1339908 IFLab1_001608 COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J03 compound treatment 0.399 0.00928 0.34 0.4 0.0105 0.68 0.7222 0.9489 1456924 IFLab1_001609 CCOc1ccc2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J04 compound treatment 0.391 0.00128 0.05 0.397 0.00752 0.49 0.3772 0.7719 2066436 IFLab1_001610 COC(=O)c1ccc(Cl)c(N)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J05 compound treatment 0.397 0.00728 0.27 0.4 0.0105 0.68 0.6703 0.9167 1269936 IFLab1_001611 COc1cc2oc(=O)c3CCCc3c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J06 compound treatment 0.4 0.0103 0.38 0.409 0.0195 1.26 1.16 0.88 2066437 IFLab1_001612 C(Cn1cnc2ccccc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J07 compound treatment 0.382 -0.00772 -0.28 0.379 -0.0105 -0.68 -0.6802 -0.925 1348555 IFLab1_001613 CCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J08 compound treatment 0.397 0.00728 0.27 0.399 0.00952 0.62 0.6245 0.9302 1316654 IFLab1_001614 OCc1nc2ccccc2n1Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J09 compound treatment 0.373 -0.0167 -0.61 0.374 -0.0155 -1.0 -1.1426 -0.9724 1437457 IFLab1_001615 CCC1CCCCN1Cc2c(O)cc(C)c3c4ccccc4c(=O)oc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J10 compound treatment 0.396 0.00628 0.23 0.397 0.00752 0.49 0.507 0.9419 2066438 IFLab1_001616 Fc1c(F)c(F)c(c(F)c1F)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J11 compound treatment 0.423 0.0333 1.22 0.422 0.0325 2.1 2.3521 0.9666 1552348 IFLab1_001617 COC(=O)c1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J12 compound treatment 0.43 0.0403 1.48 0.439 0.0495 3.2 3.3117 0.9384 1577132 IFLab1_001618 O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J13 compound treatment 0.387 -0.00272 -0.1 0.397 0.00752 0.49 0.2733 0.5505 1667612 IFLab1_001619 Cc1cc(O)c(C(=O)c2ccccc2)c(=O)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J14 compound treatment 0.402 0.0123 0.45 0.405 0.0155 1.0 1.0289 0.9348 1605777 IFLab1_001620 CC(C)C(=O)Nc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J15 compound treatment 0.912 0.522 19.18 0.92 0.531 34.33 37.8372 0.9622 2066439 IFLab1_001621 Nc1ccc2C(=O)/C(=C/c3ccco3)/Cc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J16 compound treatment 0.393 0.00328 0.12 0.399 0.00952 0.62 0.5206 0.8297 1258313 IFLab1_001622 CC(C)C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc23)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J17 compound treatment 0.411 0.0213 0.78 0.406 0.0165 1.07 1.3083 0.9882 1295217 IFLab1_001623 CCOC(=O)c1cccc(n1)C(=O)Oc2ccc3cc(Br)ccc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J18 compound treatment 0.411 0.0213 0.78 0.423 0.0335 2.17 2.0862 0.9049 2066440 IFLab1_001624 CCC(=O)Nc1nnc(SCc2ccc(cc2)C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J19 compound treatment 0.418 0.0283 1.04 0.409 0.0195 1.26 1.6274 0.9953 2066441 IFLab1_001625 Fc1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J20 compound treatment 0.445 0.0553 2.03 0.43 0.0405 2.62 3.2894 0.992 1180168 IFLab1_001626 Fc1cccc(CSc2nnc(NC(=O)C3CCCCC3)s2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J21 compound treatment 0.397 0.00728 0.27 0.4 0.0105 0.68 0.6703 0.9167 1724026 IFLab1_001627 CC1CC(C)CN(C1)C(=O)c2ccc(C#N)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J22 compound treatment 0.432 0.0423 1.55 0.412 0.0225 1.46 2.1282 0.9995 1141491 IFLab1_001628 CCOC(=O)CSc1nnc(NC(=O)c2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J23 mock treatment 0.39 2.81E-4 0.01 0.389 -4.84E-4 -0.03 -0.0148 -0.45 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 J24 mock treatment 0.391 0.00128 0.05 0.386 -0.00348 -0.23 -0.1261 -0.5477 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K01 compound treatment 0.405 0.0153 0.56 0.4 0.0105 0.68 0.878 0.9954 1200027 IFLab1_001629 CC1(C)CC(=O)c2sc(NC(=O)CCOc3ccccc3)nc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K02 compound treatment 0.401 0.0113 0.41 0.396 0.00652 0.42 0.5911 1.0 2066442 IFLab1_001630 COC(=O)c1cc(Br)c(O)c(Br)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K03 compound treatment 0.397 0.00728 0.27 0.391 0.00152 0.1 0.2584 0.9074 2066443 IFLab1_001631 Clc1cccc(Cl)c1C(=O)n2nnc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K04 compound treatment 0.703 0.313 11.5 0.631 0.242 15.63 19.1861 0.9886 2066444 IFLab1_001632 Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)/SC2=S)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K05 compound treatment 0.524 0.134 4.93 0.522 0.133 8.58 9.5505 0.9655 2066445 IFLab1_001633 CCN1C(=O)/C(=C/c2cccc(OC)c2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K06 compound treatment 0.496 0.106 3.9 0.51 0.121 7.8 8.2743 0.9488 2066446 IFLab1_001634 CC(C)(C)NC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K07 compound treatment 0.438 0.0483 1.77 0.444 0.0545 3.53 3.7482 0.9493 1472427 IFLab1_001635 O=C(Nc1nc2sc3CCCCc3c2c(=O)s1)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K08 compound treatment 0.407 0.0173 0.63 0.397 0.00752 0.49 0.7927 0.9914 1148757 IFLab1_001636 Clc1ccc2c(c1)c(nc3nnnn32)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K09 compound treatment 0.399 0.00928 0.34 0.408 0.0185 1.2 1.0883 0.8736 2066447 IFLab1_001637 CCN1C(=O)/C(=C/c2cn(CCC#N)nc2c3ccc(F)cc3)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K10 compound treatment 0.418 0.0283 1.04 0.407 0.0175 1.13 1.5359 0.999 1492715 IFLab1_001638 O=C(Cc1ccccc1)Nc2c3CSCc3nn2c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K11 compound treatment 0.399 0.00928 0.34 0.398 0.00852 0.55 0.6307 0.9733 2066448 IFLab1_001639 N#CCCn1cc(C#N)c(n1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K12 compound treatment 0.407 0.0173 0.63 0.408 0.0185 1.2 1.296 0.9558 2066449 IFLab1_001640 O=C(Nc1c2CSCc2nn1c3ccccc3)C4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K13 compound treatment 0.397 0.00728 0.27 0.413 0.0235 1.52 1.2651 0.8188 2066450 IFLab1_001641 COc1ccccc1/C=C/2\SC(=O)N(CCC(=O)O)C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K14 compound treatment 0.407 0.0173 0.63 0.404 0.0145 0.94 1.113 0.9818 1364279 IFLab1_001642 COC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K15 compound treatment 0.401 0.0113 0.41 0.402 0.0125 0.81 0.8656 0.9515 2066451 IFLab1_001643 OC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)/SC2=S)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K16 compound treatment 0.402 0.0123 0.45 0.413 0.0235 1.52 1.395 0.8789 1703933 IFLab1_001644 CCOC(=O)C(C)Oc1ccc2ccc(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K17 compound treatment 0.52 0.13 4.78 0.539 0.15 9.68 10.2245 0.9473 2066452 IFLab1_001645 CC(N1C(=O)/C(=C/c2ccccc2Cl)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K18 compound treatment 0.401 0.0113 0.41 0.402 0.0125 0.81 0.8656 0.9515 1602155 IFLab1_001646 Cc1cc(=O)oc2cc(OCC(=O)O)c(Cl)cc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K19 compound treatment 0.474 0.0843 3.09 0.489 0.0995 6.44 6.7422 0.9436 2066453 IFLab1_001647 O=C(CN1C(=O)/C(=C/c2ccccc2)/SC1=S)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K20 compound treatment 0.417 0.0273 1.0 0.419 0.0295 1.91 2.059 0.9546 1677944 IFLab1_001648 CCCc1c(C)c2ccc(OCC(=O)O)cc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K21 compound treatment 0.454 0.0643 2.36 0.454 0.0645 4.17 4.6213 0.9636 1482253 IFLab1_001649 Oc1c(ccc2cccnc12)C(Nc3nccs3)c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K22 compound treatment 0.336 -0.0537 -1.97 0.333 -0.0565 -3.66 -3.9795 -0.9581 1118351 IFLab1_001650 Oc1ccc2c(cc(=O)oc2c1O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K23 mock treatment 0.393 0.00328 0.12 0.39 5.16E-4 0.03 0.1088 0.8703 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 K24 mock treatment 0.392 0.00228 0.08 0.4 0.0105 0.68 0.5404 0.7882 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L01 compound treatment 0.405 0.0153 0.56 0.412 0.0225 1.46 1.4271 0.914 1380521 IFLab1_001651 CC(=O)Oc1cc(C)cc2oc(=O)cc(c3ccccc3)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L02 compound treatment 0.419 0.0293 1.08 0.419 0.0295 1.91 2.1109 0.9631 1492849 IFLab1_001652 CCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L03 compound treatment 0.405 0.0153 0.56 0.407 0.0175 1.13 1.1983 0.9474 1194526 IFLab1_001653 CCCOc1ccc2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L04 compound treatment 0.407 0.0173 0.63 0.408 0.0185 1.2 1.296 0.9558 2066454 IFLab1_001654 O=C(CCC1CCCCC1)NC2=NCCS2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L05 compound treatment 0.415 0.0253 0.93 0.416 0.0265 1.72 1.8698 0.9584 1618364 IFLab1_001655 COc1cc(OC)c2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L06 compound treatment 0.403 0.0133 0.49 0.405 0.0155 1.0 1.0549 0.945 2066455 IFLab1_001656 Cc1nc2ccccc2n1CCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L07 compound treatment 0.397 0.00728 0.27 0.396 0.00652 0.42 0.4872 0.9758 1550371 IFLab1_001657 CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L08 compound treatment 0.403 0.0133 0.49 0.403 0.0135 0.87 0.9633 0.962 1546436 IFLab1_001658 OCc1nc2ccccc2n1CCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L09 compound treatment 0.404 0.0143 0.52 0.404 0.0145 0.94 1.0351 0.9621 1059295 IFLab1_001659 CN1CCN(Cc2c(O)ccc3c4CCCCc4c(=O)oc23)CC1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L10 compound treatment 0.414 0.0243 0.89 0.418 0.0285 1.85 1.9353 0.9443 2066456 IFLab1_001660 O=C1CC(SC(C1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L11 compound treatment 0.391 0.00128 0.05 0.4 0.0105 0.68 0.5145 0.7542 1271679 IFLab1_001661 CCCc1cc(=O)oc2cc(OC(=O)C)cc(OC(=O)C)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L12 compound treatment 0.437 0.0473 1.74 0.446 0.0565 3.66 3.8138 0.942 1531292 IFLab1_001662 O=C(CSc1nnc(NC(=O)C2CC2)s1)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L13 compound treatment 0.449 0.0593 2.18 0.451 0.0615 3.98 4.3542 0.9597 1605587 IFLab1_001663 COc1ccc(cc1)c2cc(=O)c3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L14 compound treatment 0.418 0.0283 1.04 0.423 0.0335 2.17 2.268 0.9431 2066457 IFLab1_001664 CCCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L15 compound treatment 0.406 0.0163 0.6 0.408 0.0185 1.2 1.27 0.9484 2066458 IFLab1_001665 COc1ccc(/C=N/c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L16 compound treatment 0.414 0.0243 0.89 0.421 0.0315 2.04 2.0726 0.9312 1570815 IFLab1_001666 O=C(Cc1ccccc1)Nc2nnc(SCC(=O)N3CCCc4ccccc34)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L17 compound treatment 0.438 0.0483 1.77 0.444 0.0545 3.53 3.7482 0.9493 2066459 IFLab1_001667 O=c1[nH]c(cs1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L18 compound treatment 0.444 0.0543 1.99 0.451 0.0615 3.98 4.2244 0.9489 2066460 IFLab1_001668 CC(=O)Nc1nnc(SCc2cccc(c2)C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L19 compound treatment 0.543 0.153 5.63 0.529 0.14 9.03 10.3642 0.9741 1424203 IFLab1_001669 COc1ccc(cc1)C(=O)Nc2nc3ccc(F)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L20 compound treatment 0.48 0.0903 3.32 0.474 0.0845 5.47 6.2116 0.9712 1427510 IFLab1_001670 Fc1cccc(CSc2nnc(NC(=O)c3ccccc3)s2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L21 compound treatment 0.401 0.0113 0.41 0.403 0.0135 0.87 0.9114 0.9417 2066461 IFLab1_001671 CC1CC(C)CN(C1)C(=O)c2sc3ccccc3c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L22 compound treatment 0.4 0.0103 0.38 0.401 0.0115 0.75 0.7939 0.9503 1180987 IFLab1_001672 CN(C(=O)C(C)(C)C)c1nnc(s1)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L23 mock treatment 0.406 0.0163 0.6 0.401 0.0115 0.75 0.9497 0.994 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 L24 mock treatment 0.391 0.00128 0.05 0.393 0.00352 0.23 0.1942 0.8356 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M01 compound treatment 0.401 0.0113 0.41 0.408 0.0185 1.2 1.1402 0.8993 1654772 IFLab1_001673 Cc1cc(C)c2nc(NC(=O)CCOc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M02 compound treatment 0.417 0.0273 1.0 0.412 0.0225 1.46 1.7387 0.9833 2066462 IFLab1_001674 COc1cc(/C=C/2\SC(=S)N(C2=O)c3cccc(c3)C(F)(F)F)ccc1O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M03 compound treatment 0.399 0.00928 0.34 0.399 0.00952 0.62 0.6764 0.9611 1141643 IFLab1_001675 COc1cc(F)ccc1S(=O)(=O)N2CCCCC2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M04 compound treatment 0.423 0.0333 1.22 0.415 0.0255 1.65 2.0318 0.989 2066463 IFLab1_001676 OC(=O)C(Cc1ccccc1)N2C(=O)/C(=C/c3ccccc3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M05 compound treatment 0.397 0.00728 0.27 0.405 0.0155 1.0 0.8991 0.8653 2066464 IFLab1_001677 CCN1C(=O)/C(=C/c2ccccc2O)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M06 compound treatment 0.462 0.0723 2.65 0.441 0.0515 3.33 4.2342 0.9936 2066465 IFLab1_001678 CCOC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M07 compound treatment 0.378 -0.0117 -0.43 0.371 -0.0185 -1.2 -1.1501 -0.9047 1158506 IFLab1_001679 Cc1oc2cc(O)ccc2c(=O)c1c3nc4ccccc4[nH]3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M08 compound treatment 0.408 0.0183 0.67 0.401 0.0115 0.75 1.0017 0.9986 2066466 IFLab1_001680 CC(=O)Nc1c2CSCc2nn1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M09 compound treatment 0.446 0.0563 2.07 0.448 0.0585 3.79 4.139 0.9594 2066467 IFLab1_001681 Cc1ccc(o1)c2nn(cc2/C=N/O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M10 compound treatment 0.403 0.0133 0.49 0.396 0.00652 0.42 0.643 0.9974 1301858 IFLab1_001682 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M11 compound treatment 0.408 0.0183 0.67 0.405 0.0155 1.0 1.1847 0.9808 2066468 IFLab1_001683 O/N=C/c1cn(nc1c2cccnc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M12 compound treatment 0.41 0.0203 0.74 0.405 0.0155 1.0 1.2366 0.9892 1392605 IFLab1_001684 CCC(CC)C(=O)Nc1c2CSCc2nn1c3cccc(C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M13 compound treatment 0.443 0.0533 1.96 0.442 0.0525 3.4 3.7866 0.9656 2066469 IFLab1_001685 CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M14 compound treatment 0.401 0.0113 0.41 0.403 0.0135 0.87 0.9114 0.9417 1403471 IFLab1_001686 NC(=O)COc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M15 compound treatment 0.432 0.0423 1.55 0.433 0.0435 2.82 3.0891 0.9606 2066470 IFLab1_001687 O=C(CCCN1C(=O)/C(=C/c2ccccc2)/SC1=S)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M16 compound treatment 0.4 0.0103 0.38 0.403 0.0135 0.87 0.8854 0.9294 1545368 IFLab1_001688 CC(Oc1ccc2ccc(=O)oc2c1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M17 compound treatment 0.517 0.127 4.67 0.523 0.134 8.64 9.4145 0.9584 2066471 IFLab1_001689 OC(=O)c1cccc(c1)N2C(=O)/C(=C/c3ccccc3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M18 compound treatment 0.411 0.0213 0.78 0.413 0.0235 1.52 1.6287 0.952 1517439 IFLab1_001690 COC(=O)c1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M19 compound treatment 0.75 0.36 13.23 0.703 0.314 20.29 23.7011 0.9785 2066472 IFLab1_001691 CSCCC(N1C(=O)/C(=C/c2ccc(C)cc2)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M20 compound treatment 0.399 0.00928 0.34 0.399 0.00952 0.62 0.6764 0.9611 1576198 IFLab1_001692 CCCc1c(C)c2c(OCC)cc(OCC)cc2oc1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M21 compound treatment 0.397 0.00728 0.27 0.396 0.00652 0.42 0.4872 0.9758 2066473 IFLab1_001693 Fc1ccc(cc1)C(CC(=O)c2ccco2)SCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M22 compound treatment 0.359 -0.0307 -1.13 0.367 -0.0225 -1.45 -1.8265 -0.9921 1673658 IFLab1_001694 Oc1cc2oc(=O)cc(c3ccccc3)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M23 mock treatment 0.394 0.00428 0.16 0.391 0.00152 0.1 0.1805 0.9742 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 M24 mock treatment 0.389 -7.19E-4 -0.03 0.393 0.00352 0.23 0.1422 0.6209 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N01 compound treatment 0.389 -7.19E-4 -0.03 0.407 0.0175 1.13 0.7828 0.6905 1303158 IFLab1_001695 COc1cc(C)cc2oc(=O)cc(c3ccccc3)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N02 compound treatment 0.392 0.00228 0.08 0.387 -0.00248 -0.16 -0.0544 -0.3002 1311259 IFLab1_001696 CCOc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N03 compound treatment 0.401 0.0113 0.41 0.396 0.00652 0.42 0.5911 1.0 1359118 IFLab1_001697 COC(=O)COc1ccc2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N04 compound treatment 0.392 0.00228 0.08 0.389 -4.84E-4 -0.03 0.0371 0.4148 1267907 IFLab1_001698 COC(=O)c1ccccc1NC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N05 compound treatment 0.399 0.00928 0.34 0.408 0.0185 1.2 1.0883 0.8736 1594889 IFLab1_001699 CCOc1cc(OCC)c2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N06 compound treatment 0.394 0.00428 0.16 0.397 0.00752 0.49 0.4551 0.8903 1617261 IFLab1_001700 OCCCc1nc2ccccc2n1CCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N07 compound treatment 0.388 -0.00172 -0.06 0.387 -0.00248 -0.16 -0.1583 -0.9166 1481154 IFLab1_001701 CCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N08 compound treatment 0.389 -7.19E-4 -0.03 0.395 0.00552 0.36 0.2337 0.653 2066474 IFLab1_001702 CCCn1c(COc2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N09 compound treatment 0.38 -0.00972 -0.36 0.383 -0.00648 -0.42 -0.5491 -0.9968 1059294 IFLab1_001703 Oc1ccc2c3CCCCc3c(=O)oc2c1CN4CCCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N10 compound treatment 0.414 0.0243 0.89 0.42 0.0305 1.97 2.0269 0.9354 1313591 IFLab1_001704 Cc1ccc(cc1)C2CC(=O)CC(S2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N11 compound treatment 0.306 -0.0837 -3.07 0.305 -0.0845 -5.47 -6.0397 -0.9629 1335067 IFLab1_001705 CCCc1cc(=O)oc2cc(O)cc(O)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N12 compound treatment 0.424 0.0343 1.26 0.422 0.0325 2.1 2.378 0.9698 1360502 IFLab1_001706 O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N13 compound treatment 0.434 0.0443 1.63 0.44 0.0505 3.27 3.4613 0.948 2066475 IFLab1_001707 Clc1ccc2c(=O)cc(oc2c1)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N14 compound treatment 0.414 0.0243 0.89 0.412 0.0225 1.46 1.6608 0.9722 1544143 IFLab1_001708 Fc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCCCC3)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N15 compound treatment 0.406 0.0163 0.6 0.41 0.0205 1.33 1.3615 0.9351 2066476 IFLab1_001709 Fc1ccc(/C=C/C(=O)\C=C\c2ccc(F)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N16 compound treatment 0.543 0.153 5.63 0.559 0.17 10.97 11.7369 0.9519 1568818 IFLab1_001710 Cc1ccc(cc1)C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc34)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N17 compound treatment 0.596 0.206 7.58 0.624 0.235 15.18 16.0874 0.9485 1624156 IFLab1_001711 Nc1ccc(cc1)c2cc(C(=O)O)c3ccccc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N18 compound treatment 0.475 0.0853 3.13 0.468 0.0785 5.08 5.8072 0.973 1732206 IFLab1_001712 CCC(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N19 compound treatment 0.483 0.0933 3.43 0.45 0.0605 3.92 5.1913 0.9978 1231750 IFLab1_001713 COc1cccc(c1)C(=O)Nc2nc3ccc(F)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N20 compound treatment 0.398 0.00828 0.3 0.404 0.0145 0.94 0.8793 0.8905 1231846 IFLab1_001714 COc1ccccc1C(=O)Nc2nnc(SCc3cccc(F)c3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N21 compound treatment 0.551 0.161 5.92 0.5 0.111 7.15 9.2449 0.9956 2066477 IFLab1_001715 CCOC(=O)c1sc(cc1N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N22 compound treatment 0.467 0.0773 2.84 0.455 0.0655 4.24 5.0046 0.9809 2066478 IFLab1_001716 COC(=O)c1ccccc1N/C=C\2/SC(=S)NC2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N23 mock treatment 0.396 0.00628 0.23 0.395 0.00552 0.36 0.4155 0.9777 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 N24 mock treatment 0.386 -0.00372 -0.14 0.383 -0.00648 -0.42 -0.3933 -0.8912 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O01 compound treatment 0.385 -0.00472 -0.17 0.39 5.16E-4 0.03 -0.0989 -0.5605 1672421 IFLab1_001717 Oc1ccc(NC(=O)CCOc2ccccc2)cc1c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O02 compound treatment 0.406 0.0163 0.6 0.405 0.0155 1.0 1.1328 0.9693 2066479 IFLab1_001718 FC(F)(F)c1cccc(c1)N2C(=O)/C(=C/c3cccs3)/SC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O03 compound treatment 0.394 0.00428 0.16 0.392 0.00252 0.16 0.2263 0.9998 1634906 IFLab1_001719 COc1ccc(Cl)cc1S(=O)(=O)N2CCCCC2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O04 compound treatment 0.401 0.0113 0.41 0.4 0.0105 0.68 0.7741 0.9717 2066480 IFLab1_001720 CN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(C)cc3)/c4ccccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O05 compound treatment 0.416 0.0263 0.97 0.411 0.0215 1.39 1.667 0.984 2066481 IFLab1_001721 CCN1C(=O)/C(=C\c2ccc(C)o2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O06 compound treatment 0.522 0.132 4.86 0.514 0.125 8.06 9.1325 0.9706 2066482 IFLab1_001722 CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O07 compound treatment 0.392 0.00228 0.08 0.405 0.0155 1.0 0.7692 0.7634 2066483 IFLab1_001723 CCc1ccc(cc1)c2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O08 compound treatment 0.406 0.0163 0.6 0.398 0.00852 0.55 0.8124 0.9992 2066484 IFLab1_001724 CC(=O)Nc1c2CSCc2nn1C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O09 compound treatment 0.4 0.0103 0.38 0.404 0.0145 0.94 0.9312 0.9198 2066485 IFLab1_001725 O/N=C/c1cn(nc1c2cccs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O10 compound treatment 0.397 0.00728 0.27 0.413 0.0235 1.52 1.2651 0.8188 1543452 IFLab1_001726 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O11 compound treatment 0.398 0.00828 0.3 0.394 0.00452 0.29 0.4217 0.9998 2066486 IFLab1_001727 O=C(CN1C(=O)/C(=C/c2ccccc2)/SC1=S)NC3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O12 compound treatment 0.415 0.0253 0.93 0.409 0.0195 1.26 1.5495 0.9885 1172810 IFLab1_001728 Cc1cccc(c1)n2nc3CSCc3c2NC(=O)C4CC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O13 compound treatment 0.4 0.0103 0.38 0.404 0.0145 0.94 0.9312 0.9198 2066487 IFLab1_001729 Cc1ccc(/C=C\2/SC(=O)N(CCC(=O)O)C2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O14 compound treatment 0.402 0.0123 0.45 0.402 0.0125 0.81 0.8916 0.9618 1256406 IFLab1_001730 Fc1ccccc1COc2ccc3ccc(=O)oc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O15 compound treatment 0.403 0.0133 0.49 0.399 0.00952 0.62 0.7803 0.9933 1064179 IFLab1_001731 FC(F)(F)c1cccc(c1)N2C(=O)CSC2=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O16 compound treatment 0.393 0.00328 0.12 0.417 0.0275 1.78 1.3443 0.7532 1377440 IFLab1_001732 Cc1cc(=O)oc2cc(OCc3ccccc3F)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O17 compound treatment 0.7 0.31 11.39 0.596 0.207 13.36 17.5067 0.9968 2066488 IFLab1_001733 CCCOC(=O)C(C)N1C(=O)/C(=C/c2ccc(OC)cc2)/SC1=S 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O18 compound treatment 0.398 0.00828 0.3 0.394 0.00452 0.29 0.4217 0.9998 1140550 IFLab1_001734 CCCc1cc(=O)oc2cc(OC(=O)C)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O19 compound treatment 1.44 1.05 38.57 1.275 0.886 57.3 67.7916 0.9814 2066489 IFLab1_001735 CSCCC(N1C(=O)/C(=C/c2ccc(O)cc2)/SC1=S)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O20 compound treatment 0.37 -0.0197 -0.72 0.379 -0.0105 -0.68 -0.9917 -0.9995 1240833 IFLab1_001736 Cc1c(O)ccc2c(cc(=O)oc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O21 compound treatment 0.465 0.0753 2.76 0.446 0.0565 3.66 4.5409 0.9905 2066490 IFLab1_001737 Nc1nc(cs1)c2cc(Cl)sc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O22 compound treatment 0.387 -0.00272 -0.1 0.385 -0.00448 -0.29 -0.2758 -0.8987 1616603 IFLab1_001738 CC(=O)Oc1cc2oc(=O)cc(c3ccccc3)c2cc1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O23 mock treatment 0.391 0.00128 0.05 0.389 -4.84E-4 -0.03 0.0111 0.1969 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 O24 mock treatment 0.381 -0.00872 -0.32 0.372 -0.0175 -1.13 -1.0264 -0.8729 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P01 compound treatment 0.391 0.00128 0.05 0.388 -0.00148 -0.1 -0.0346 -0.3238 1366445 IFLab1_001739 COC(=O)C(C)Oc1cc(C)cc2oc(=O)cc(c3ccccc3)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P02 compound treatment 0.387 -0.00272 -0.1 0.396 0.00652 0.42 0.2276 0.5252 1677477 IFLab1_001740 CCOc1ccccc1NC(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P03 compound treatment 0.39 2.81E-4 0.01 0.414 0.0245 1.59 1.1291 0.7117 1298345 IFLab1_001741 CCOC(=O)COc1ccc2c3CCCc3c(=O)oc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P04 compound treatment 0.382 -0.00772 -0.28 0.393 0.00352 0.23 -0.0395 -0.1088 1358453 IFLab1_001742 COC(=O)c1ccc(C)c(NC(=O)C(C)NC(=O)C(c2ccccc2)c3ccccc3)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P05 compound treatment 0.395 0.00528 0.19 0.405 0.0155 1.0 0.8471 0.8284 1377920 IFLab1_001743 Cc1c(OCC(=O)N)ccc2c3CCCCc3c(=O)oc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P06 compound treatment 0.399 0.00928 0.34 0.405 0.0155 1.0 0.951 0.8969 1170966 IFLab1_001744 CC(O)c1nc2ccccc2n1CCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P07 compound treatment 0.383 -0.00672 -0.25 0.383 -0.00648 -0.42 -0.4712 -0.968 1377722 IFLab1_001745 CCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P08 compound treatment 0.387 -0.00272 -0.1 0.399 0.00952 0.62 0.3648 0.5848 1735834 IFLab1_001746 CC(C)Cn1c(COc2ccccc2)nc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P09 compound treatment 0.394 0.00428 0.16 0.395 0.00552 0.36 0.3636 0.9321 1545681 IFLab1_001747 Oc1ccc2c3CCCc3c(=O)oc2c1CN4CCOCC4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P10 compound treatment 0.39 2.81E-4 0.01 0.389 -4.84E-4 -0.03 -0.0148 -0.45 1175371 IFLab1_001748 CC1(O)CC(SC(C1)c2ccccc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P11 compound treatment 0.391 0.00128 0.05 0.391 0.00152 0.1 0.1026 0.9433 1588913 IFLab1_001749 CC(=CCOc1ccc2c(c1)oc(=O)c3ccccc32)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P12 compound treatment 0.427 0.0373 1.37 0.43 0.0405 2.62 2.822 0.9541 1684952 IFLab1_001750 CC(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P13 compound treatment 0.394 0.00428 0.16 0.393 0.00352 0.23 0.2721 0.9837 1087106 IFLab1_001751 CC(=O)Nc1ccc2C(=O)CCc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P14 compound treatment 0.438 0.0483 1.77 0.437 0.0475 3.07 3.4279 0.9658 1195268 IFLab1_001752 Cc1ccccc1C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P15 compound treatment 0.557 0.167 6.14 0.568 0.179 11.55 12.5123 0.9563 2066491 IFLab1_001753 O=C/1/C(=C/c2ccco2)/CC\C1=C/c3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P16 compound treatment 0.397 0.00728 0.27 0.393 0.00352 0.23 0.35 0.9968 1573578 IFLab1_001754 CC(=O)Nc1nnc(SCC(=O)N2CCc3ccccc23)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P17 compound treatment 0.401 0.0113 0.41 0.407 0.0175 1.13 1.0944 0.9069 1437274 IFLab1_001755 CC(=O)NC1(CC2CC3CC(CC(=O)O)(C2)C1)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P18 compound treatment 0.458 0.0683 2.51 0.487 0.0975 6.31 6.2352 0.9182 1361597 IFLab1_001756 CC(=O)Nc1nnc(SCc2cccc(F)c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P19 compound treatment 0.397 0.00728 0.27 0.395 0.00552 0.36 0.4415 0.9899 1473279 IFLab1_001757 CN(C)c1ccc(cc1)C(=O)N2CCc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P20 compound treatment 0.392 0.00228 0.08 0.392 0.00252 0.16 0.1744 0.9523 1116608 IFLab1_001758 CCOC(=O)CSc1nnc(NC(=O)C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P21 compound treatment 0.386 -0.00372 -0.14 0.383 -0.00648 -0.42 -0.3933 -0.8912 1558744 IFLab1_001759 O=C(Nc1nc2ccccc2s1)c3cc(=O)c4ccccc4o3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P22 compound treatment 0.389 -7.19E-4 -0.03 0.379 -0.0105 -0.68 -0.4984 -0.7341 2066492 IFLab1_001760 CCc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P23 mock treatment 0.382 -0.00772 -0.28 0.386 -0.00348 -0.23 -0.3598 -0.9936 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1416 P24 mock treatment 0.373 -0.0167 -0.61 0.364 -0.0255 -1.65 -1.6002 -0.9094 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A01 compound treatment 0.36 -0.0295 -1.08 0.355 -0.0113 -0.73 -1.2822 -0.9815 1706923 IFLab1_001761 COc1ccccc1NC(=O)C2=C(C)NC(=C(C#N)C2c3cccs3)SCC(=O)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A02 compound treatment 0.375 -0.0145 -0.53 0.356 -0.0103 -0.67 -0.847 -0.9939 2066493 IFLab1_001762 Fc1ccc(cc1Cl)N2C(SCC2=O)c3cccc(c3)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A03 compound treatment 0.379 -0.0105 -0.39 0.367 7.19E-4 0.05 -0.2398 -0.6173 2066494 IFLab1_001763 COC(=O)[C@H]1C(C(=C(NC1=O)SC)C#N)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A04 compound treatment 0.383 -0.0065 -0.24 0.375 0.00872 0.56 0.2302 0.3757 2066495 IFLab1_001764 Cc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A05 compound treatment 0.374 -0.0155 -0.57 0.366 -2.81E-4 -0.02 -0.4153 -0.7293 1619755 IFLab1_001765 NC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A06 compound treatment 0.373 -0.0165 -0.61 0.363 -0.00328 -0.21 -0.5786 -0.9012 2066496 IFLab1_001766 CC(C)c1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A07 compound treatment 0.337 -0.0525 -1.93 0.324 -0.0423 -2.74 -3.2979 -0.9853 2066497 IFLab1_001767 *c1ccccc1C2C(=O)N(C)c3ccccc3C2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A08 compound treatment 0.369 -0.0205 -0.75 0.369 0.00272 0.18 -0.4079 -0.5276 1500808 IFLab1_001768 CCOC(=O)c1c(C)c(C)sc1NC(=O)c2ccc(Cl)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A09 compound treatment 0.381 -0.0085 -0.31 0.356 -0.0103 -0.67 -0.6912 -0.9405 1510133 IFLab1_001769 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A10 compound treatment 0.381 -0.0085 -0.31 0.362 -0.00428 -0.28 -0.4166 -0.9982 1622222 IFLab1_001770 Cc1ccc2n(C)c(=NC(=O)c3cccc(c3)N4C(=O)CCC4=O)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A11 compound treatment 0.376 -0.0135 -0.5 0.362 -0.00428 -0.28 -0.5464 -0.9622 1038790 IFLab1_001771 COc1ccc(C#CC(=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A12 compound treatment 0.39 5.0E-4 0.02 0.374 0.00772 0.5 0.3662 0.7326 2066498 IFLab1_001772 BrC(=C)CSCc1nc2ccccc2[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A13 compound treatment 0.418 0.0285 1.05 0.4 0.0337 2.18 2.2829 0.9434 2066499 IFLab1_001773 COc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A14 compound treatment 0.399 0.0095 0.35 0.378 0.0117 0.76 0.7829 0.9379 1322719 IFLab1_001774 CCC(C)Sc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A15 compound treatment 0.373 -0.0165 -0.61 0.362 -0.00428 -0.28 -0.6243 -0.9371 1710534 IFLab1_001775 CC1CC(C)CN(C1)C(=O)c2ccc(cc2)S(=O)(=O)N3CC(C)CC(C)C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A16 compound treatment 0.402 0.0125 0.46 0.371 0.00472 0.31 0.5405 0.9804 1918857 IFLab1_001776 S=c1sc2ccccc2n1Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A17 compound treatment 0.375 -0.0145 -0.53 0.357 -0.00928 -0.6 -0.8012 -0.9982 1197782 IFLab1_001777 O=C(CN1C(=O)CCC1=O)Nc2ccc3CCc4cccc2c43 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A18 compound treatment 0.377 -0.0125 -0.46 0.36 -0.00628 -0.41 -0.612 -0.9982 1250804 IFLab1_001778 OC(c1ccccc1)c2nccc3ccccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A19 compound treatment 0.389 -5.0E-4 -0.02 0.367 7.19E-4 0.05 0.0199 0.3981 1304828 IFLab1_001779 COc1cccc(c1)C(=O)N=c2sc3cc(Cl)ccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A20 compound treatment 0.507 0.117 4.31 0.48 0.114 7.36 8.2546 0.9676 2066500 IFLab1_001780 CN1/C(=C\C=N\c2ccc(cc2)C(=O)O)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A21 compound treatment 0.377 -0.0125 -0.46 0.354 -0.0123 -0.79 -0.8865 -0.966 1002763 IFLab1_001781 OC(=O)c1cccc(n1)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A22 compound treatment 0.373 -0.0165 -0.61 0.361 -0.00528 -0.34 -0.6701 -0.9633 1380195 IFLab1_001782 O=C(N1CCOCC1)c2ccc(cc2)S(=O)(=O)N3CCc4ccccc4C3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A23 mock treatment 0.374 -0.0155 -0.57 0.353 -0.0133 -0.86 -1.0102 -0.98 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 A24 mock treatment 0.36 -0.0295 -1.08 0.349 -0.0173 -1.12 -1.5568 -0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B01 compound treatment 0.405 0.0155 0.57 0.373 0.00672 0.43 0.7099 0.9912 2066501 IFLab1_001783 Fc1ccc(cc1)C(=O)COC(=O)CSc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B02 compound treatment 0.406 0.0165 0.61 0.374 0.00772 0.5 0.7816 0.9954 1519483 IFLab1_001784 CCOc1ccccc1Nc2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B03 compound treatment 0.41 0.0205 0.75 0.382 0.0157 1.02 1.2516 0.989 2066502 IFLab1_001785 CCn1c(C)cc(C)[n+]1c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B04 compound treatment 0.406 0.0165 0.61 0.374 0.00772 0.5 0.7816 0.9954 1430925 IFLab1_001786 CN(Cc1ccccc1)c2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B05 compound treatment 0.424 0.0345 1.27 0.39 0.0237 1.53 1.9812 0.9955 2066503 IFLab1_001787 Cc1ccc(Nc2ccc(C)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B06 compound treatment 0.399 0.0095 0.35 0.375 0.00872 0.56 0.6456 0.9733 1234994 IFLab1_001788 C(CC1=CCCCC1)Nc2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B07 compound treatment 0.406 0.0165 0.61 0.376 0.00972 0.63 0.8732 0.9998 2066504 IFLab1_001789 O/C(=N\c1ccccc1)/NC2(CC3CC4CC(C3)C2)C4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B08 compound treatment 0.414 0.0245 0.9 0.389 0.0227 1.47 1.6757 0.9722 1158576 IFLab1_001790 Cc1ccc(c(C)c1)n2ncc3c(NCCO)ncnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B09 compound treatment 0.41 0.0205 0.75 0.388 0.0217 1.41 1.5261 0.9572 2066505 IFLab1_001791 Cc1sc[n+](CC(=O)c2ccc(Br)cc2)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B10 compound treatment 0.405 0.0155 0.57 0.382 0.0157 1.02 1.1217 0.9624 1237630 IFLab1_001792 CN1CCc2c(C(=O)N)c(NC(=O)c3ccco3)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B11 compound treatment 0.408 0.0185 0.68 0.37 0.00372 0.24 0.6505 0.9026 1587647 IFLab1_001793 OCc1cc(=O)c(O)c(CN2CCCCC2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B12 compound treatment 0.404 0.0145 0.53 0.376 0.00972 0.63 0.8212 0.9966 1312557 IFLab1_001794 COc1ccc(cc1)C(=O)NCc2nnc(SC)n2C3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B13 compound treatment 0.419 0.0295 1.08 0.388 0.0217 1.41 1.7598 0.9917 1319457 IFLab1_001795 CSc1nnc(CNC(=O)COc2ccccc2)n1c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B14 compound treatment 0.405 0.0155 0.57 0.381 0.0147 0.95 1.076 0.9697 2066506 IFLab1_001796 O=C(Nc1nnc(s1)c2ccccc2)/C=C\c3ccc4OCOc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B15 compound treatment 0.406 0.0165 0.61 0.376 0.00972 0.63 0.8732 0.9998 1661799 IFLab1_001797 CSc1nnc(NC(=O)C2CCCCC2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B16 compound treatment 0.409 0.0195 0.72 0.387 0.0207 1.34 1.4544 0.9568 1717952 IFLab1_001798 CCOC(=O)C(CC)Sc1nnc(NC(=O)Cc2cccs2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B17 compound treatment 0.44 0.0505 1.85 0.413 0.0467 3.02 3.4491 0.9725 1118747 IFLab1_001799 COc1cccc(c1)C(=O)Nc2nnc(SCc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B18 compound treatment 0.399 0.0095 0.35 0.374 0.00772 0.5 0.5999 0.9846 1238367 IFLab1_001800 COC(CNc1ncnc2n(cc(c3ccccc3)c12)c4ccccc4)OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B19 compound treatment 0.405 0.0155 0.57 0.376 0.00972 0.63 0.8472 0.9988 1444994 IFLab1_001801 CSc1nnc(NC(=O)C2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B20 compound treatment 0.398 0.0085 0.31 0.379 0.0127 0.82 0.8027 0.9119 1173596 IFLab1_001802 CCC(=O)N1CCc2cc(OC)c(OC)cc2C1COc3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B21 compound treatment 0.403 0.0135 0.5 0.378 0.0117 0.76 0.8868 0.9788 1713021 IFLab1_001803 Cc1ccc(c(C)c1)n2ncc3c(NCc4ccco4)ncnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B22 compound treatment 0.395 0.0055 0.2 0.366 -2.81E-4 -0.02 0.1299 0.6408 1385028 IFLab1_001804 O=C(CCc1ccccc1)N2CCN(CC2)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B23 mock treatment 0.399 0.0095 0.35 0.368 0.00172 0.11 0.3253 0.8885 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 B24 mock treatment 0.39 5.0E-4 0.02 0.362 -0.00428 -0.28 -0.1829 -0.6588 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C01 compound treatment 0.374 -0.0155 -0.57 0.347 -0.0193 -1.25 -1.2848 -0.9368 1252379 IFLab1_001805 C=CCSC1=C(C#N)C(CC(=O)N1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C02 compound treatment 0.383 -0.0065 -0.24 0.357 -0.00928 -0.6 -0.5935 -0.9183 1695744 IFLab1_001806 O=C(Nc1nnc(s1)c2ccccc2)c3ccc4ccccc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C03 compound treatment 0.382 -0.0075 -0.28 0.355 -0.0113 -0.73 -0.711 -0.9112 2066507 IFLab1_001807 CCOc1ccccc1C2[C@H](C(=O)OC)C(=O)NC(=C2C#N)SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C04 compound treatment 0.386 -0.0035 -0.13 0.367 7.19E-4 0.05 -0.058 -0.4243 1211582 IFLab1_001808 Cc1nnc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C05 compound treatment 0.413 0.0235 0.86 0.393 0.0267 1.73 1.8328 0.9485 1437597 IFLab1_001809 Clc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C06 compound treatment 0.384 -0.0055 -0.2 0.357 -0.00928 -0.6 -0.5675 -0.8956 1546770 IFLab1_001810 CC(C)c1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C07 compound treatment 0.38 -0.0095 -0.35 0.358 -0.00828 -0.54 -0.6256 -0.9784 1714685 IFLab1_001811 Brc1ccc2[nH]c(=O)c(NC(=O)c3ccccc3)c(c4ccccc4)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C08 compound treatment 0.393 0.0035 0.13 0.369 0.00272 0.18 0.2153 0.9881 1362589 IFLab1_001812 CCOC(=O)c1c(C)c(C)sc1NC(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C09 compound treatment 0.388 -0.0015 -0.06 0.368 0.00172 0.11 0.0397 0.3198 1217478 IFLab1_001813 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CC(=O)O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C10 compound treatment 0.38 -0.0095 -0.35 0.361 -0.00528 -0.34 -0.4883 -0.9999 2066508 IFLab1_001814 CCCc1nc2ccccc2n1CC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C11 compound treatment 0.455 0.0655 2.41 0.444 0.0777 5.03 5.2571 0.943 1347042 IFLab1_001815 O=C(CCSc1ccccc1)Nc2nc3ccccc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C12 compound treatment 0.401 0.0115 0.42 0.379 0.0127 0.82 0.8806 0.9519 1364584 IFLab1_001816 CCOC(=O)C(C)Sc1nnc(NC(=O)c2c(F)cccc2Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C13 compound treatment 0.397 0.0075 0.28 0.375 0.00872 0.56 0.5937 0.9456 2066509 IFLab1_001817 Brc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C14 compound treatment 0.441 0.0515 1.89 0.402 0.0357 2.31 2.9717 0.995 2066510 IFLab1_001818 CCC(C)Sc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C15 compound treatment 0.381 -0.0085 -0.31 0.359 -0.00728 -0.47 -0.5539 -0.98 1565540 IFLab1_001819 Brc1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C16 compound treatment 0.544 0.155 5.67 0.478 0.112 7.23 9.1239 0.9928 1343195 IFLab1_001820 CCN1C(=O)c2cccc3c(N)ccc1c23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C17 compound treatment 0.387 -0.0025 -0.09 0.371 0.00472 0.31 0.151 0.4736 1235040 IFLab1_001821 O=C(CN1C(=O)CCC1=O)Nc2ccccc2Oc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C18 compound treatment 0.401 0.0115 0.42 0.373 0.00672 0.43 0.6061 0.9999 1307874 IFLab1_001822 O=C(OC(c1ccccc1)c2nccc3ccccc23)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C19 compound treatment 0.386 -0.0035 -0.13 0.357 -0.00928 -0.6 -0.5156 -0.8394 1734067 IFLab1_001823 COc1ccccc1C(=O)N=c2sc3cc(Cl)ccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C20 compound treatment 0.375 -0.0145 -0.53 0.359 -0.00728 -0.47 -0.7097 -0.9981 2066511 IFLab1_001824 C(OCc1nc2ccccc2s1)c3cn4ccccc4n3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C21 compound treatment 0.381 -0.0085 -0.31 0.35 -0.0163 -1.05 -0.9657 -0.8788 1026938 IFLab1_001825 CC(=O)n1c2ccccc2c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C22 compound treatment 0.373 -0.0165 -0.61 0.354 -0.0123 -0.79 -0.9904 -0.991 1138266 IFLab1_001826 COc1ccc(C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4s3)c(OC)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C23 mock treatment 0.373 -0.0165 -0.61 0.345 -0.0213 -1.38 -1.4022 -0.932 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 C24 mock treatment 0.375 -0.0145 -0.53 0.353 -0.0133 -0.86 -0.9842 -0.9735 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D01 compound treatment 0.405 0.0155 0.57 0.373 0.00672 0.43 0.7099 0.9912 1265183 IFLab1_001827 COC(=O)C1=C(C)NC(=C(C1c2cccs2)C(=O)OC)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D02 compound treatment 0.399 0.0095 0.35 0.367 7.19E-4 0.05 0.2796 0.7944 1726080 IFLab1_001828 CSc1ccccc1Nc2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D03 compound treatment 0.396 0.0065 0.24 0.374 0.00772 0.5 0.522 0.9429 1495117 IFLab1_001829 COC(=O)c1ccc(NC2SC(=O)NC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D04 compound treatment 0.39 5.0E-4 0.02 0.358 -0.00828 -0.54 -0.366 -0.6825 1308000 IFLab1_001830 CC1CCN(CC1)c2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D05 compound treatment 0.42 0.0305 1.12 0.398 0.0317 2.05 2.2434 0.9594 1239434 IFLab1_001831 Clc1ccc(cc1)C2=CSc3nnc(Cc4ccccc4)n3N2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D06 compound treatment 0.392 0.0025 0.09 0.363 -0.00328 -0.21 -0.0852 -0.3684 1206698 IFLab1_001832 OCCNc1ncnc2n(ncc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D07 compound treatment 0.406 0.0165 0.61 0.377 0.0107 0.69 0.9189 0.9977 2066512 IFLab1_001833 CCCc1n(C)c2ccccc2[n+]1CC(=O)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D08 compound treatment 0.398 0.0085 0.31 0.37 0.00372 0.24 0.3909 0.9917 1173648 IFLab1_001834 CCOC(=O)c1c(NC(=O)C)sc2CN(CCc12)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D09 compound treatment 0.414 0.0245 0.9 0.387 0.0207 1.34 1.5842 0.9812 2066513 IFLab1_001835 O/N=C/c1ccc(o1)c2cc(Cl)ccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D10 compound treatment 0.397 0.0075 0.28 0.376 0.00972 0.63 0.6395 0.9314 1536384 IFLab1_001836 NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc3CN(Cc4ccccc4)CCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D11 compound treatment 0.401 0.0115 0.42 0.372 0.00572 0.37 0.5603 0.9978 1369784 IFLab1_001837 OCc1cc(=O)c(O)c(CN2CCc3ccccc3C2)o1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D12 compound treatment 0.397 0.0075 0.28 0.37 0.00372 0.24 0.3649 0.9977 2066514 IFLab1_001838 CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D13 compound treatment 0.409 0.0195 0.72 0.383 0.0167 1.08 1.2714 0.9799 2066515 IFLab1_001839 CSc1nnc(CNC(=O)c2cccs2)n1c3cccc(Cl)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D14 compound treatment 0.397 0.0075 0.28 0.37 0.00372 0.24 0.3649 0.9977 2066516 IFLab1_001840 COc1ccc(/C=C/C(=O)Nc2nnc(s2)c3ccccc3)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D15 compound treatment 0.439 0.0495 1.82 0.412 0.0457 2.96 3.3773 0.9726 1474513 IFLab1_001841 O=C(Nc1nnc(SCc2ccccc2)s1)C3CC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D16 compound treatment 0.43 0.0405 1.49 0.402 0.0357 2.31 2.6861 0.9773 1123435 IFLab1_001842 O=C(Cc1cccs1)Nc2nnc(SCC(=O)N3CCCCCC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D17 compound treatment 0.502 0.113 4.13 0.487 0.121 7.81 8.4451 0.9556 2066517 IFLab1_001843 CSc1nnc(NC(=O)c2ccc(C)c(C)c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D18 compound treatment 0.398 0.0085 0.31 0.383 0.0167 1.08 0.9857 0.8754 1262419 IFLab1_001844 OCCNc1ncnc2n(cc(c3ccccc3)c12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D19 compound treatment 0.412 0.0225 0.83 0.403 0.0367 2.38 2.2644 0.9001 1599675 IFLab1_001845 CCCSc1nnc(NC(=O)C2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D20 compound treatment 0.393 0.0035 0.13 0.376 0.00972 0.63 0.5356 0.8344 1466906 IFLab1_001846 COc1ccccc1OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D21 compound treatment 0.387 -0.0025 -0.09 0.361 -0.00528 -0.34 -0.3066 -0.8663 1290646 IFLab1_001847 C(Nc1ncnc2n(ncc12)c3ccccc3)C4CCCO4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D22 compound treatment 0.467 0.0775 2.85 0.443 0.0767 4.96 5.5229 0.9651 1241725 IFLab1_001848 COc1cccc2sc(NC(=O)C3COc4ccccc4O3)nc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D23 mock treatment 0.39 5.0E-4 0.02 0.364 -0.00228 -0.15 -0.0914 -0.6144 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 D24 mock treatment 0.389 -5.0E-4 -0.02 0.36 -0.00628 -0.41 -0.3004 -0.7383 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E01 compound treatment 0.405 0.0155 0.57 0.387 0.0207 1.34 1.3505 0.9272 2066518 IFLab1_001849 Cc1[nH]nc2OC(=C(C#N)C(CCc3ccccc3)c12)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E02 compound treatment 0.413 0.0235 0.86 0.391 0.0247 1.6 1.7413 0.9581 2066519 IFLab1_001850 FC(F)(F)c1ccccc1C(=O)Nc2nnc(s2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E03 compound treatment 0.378 -0.0115 -0.42 0.367 7.19E-4 0.05 -0.2657 -0.6254 1227743 IFLab1_001851 CCCSC1=C(C#N)C(CC(=O)N1)c2cc(Br)c(O)c(OC)c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E04 compound treatment 0.402 0.0125 0.46 0.376 0.00972 0.63 0.7693 0.988 1170244 IFLab1_001852 CCc1nnc(NC(=O)c2c(OC)cccc2OC)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E05 compound treatment 0.411 0.0215 0.79 0.389 0.0227 1.47 1.5978 0.9575 1694562 IFLab1_001853 COC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c2ccccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E06 compound treatment 0.426 0.0365 1.34 0.386 0.0197 1.28 1.8501 0.9997 1430816 IFLab1_001854 CC(C)c1nnc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E07 compound treatment 0.406 0.0165 0.61 0.389 0.0227 1.47 1.468 0.9232 1694711 IFLab1_001855 CC(=O)Nc1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E08 compound treatment 0.417 0.0275 1.01 0.388 0.0217 1.41 1.7079 0.9869 1456677 IFLab1_001856 O=C(NC1SC2=C(CCCC2)C1C#N)c3cc4ccccc4oc3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E09 compound treatment 0.404 0.0145 0.53 0.379 0.0127 0.82 0.9585 0.9778 1211135 IFLab1_001857 Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C3CCCC3=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E10 compound treatment 0.408 0.0185 0.68 0.399 0.0327 2.12 1.9775 0.8893 2066520 IFLab1_001858 CCCc1nc2ccccc2n1CCC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E11 compound treatment 0.469 0.0795 2.92 0.451 0.0847 5.48 5.9409 0.9565 2066521 IFLab1_001859 O=C(CCSc1ccccc1)Nc2nc(cs2)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E12 compound treatment 0.489 0.0995 3.65 0.451 0.0847 5.48 6.4602 0.9806 1249277 IFLab1_001860 CCOC(=O)C(C)Sc1nnc(NC(=O)c2ccc3ccccc3c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E13 compound treatment 0.477 0.0875 3.21 0.455 0.0887 5.74 6.3317 0.9624 2066522 IFLab1_001861 O=C(Nc1nc2CCCCc2s1)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E14 compound treatment 0.474 0.0845 3.1 0.444 0.0777 5.03 5.7504 0.9731 1556070 IFLab1_001862 CC(C)Sc1nnc(NC(=O)c2ccc3ccccc3c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E15 compound treatment 0.403 0.0135 0.5 0.383 0.0167 1.08 1.1156 0.9374 1131316 IFLab1_001863 CC1CCc2nc(NC(=O)CN3C(=O)CCC3=O)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E16 compound treatment 0.464 0.0745 2.74 0.414 0.0477 3.09 4.118 0.9982 1161051 IFLab1_001864 Cc1ccc(cc1)C(CC(=O)c2ccco2)Sc3ccccc3N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E17 compound treatment 0.405 0.0155 0.57 0.395 0.0287 1.86 1.7166 0.8832 1197512 IFLab1_001865 O=C(CN1C(=O)CCC1=O)Nc2sc3CCCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E18 compound treatment 0.412 0.0225 0.83 0.394 0.0277 1.79 1.8526 0.9381 1253412 IFLab1_001866 Oc1c(CN2CCCCC2)cc(Cl)c3cccnc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E19 compound treatment 0.398 0.0085 0.31 0.372 0.00572 0.37 0.4824 0.9964 1212707 IFLab1_001867 CCOc1ccc(cc1)C(=O)N=c2sc3cc(Cl)ccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E20 compound treatment 0.397 0.0075 0.28 0.382 0.0157 1.02 0.914 0.8673 1670069 IFLab1_001868 CC1COc2c(F)c(F)cc3c(=O)c(cn1c23)C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E21 compound treatment 0.4 0.0105 0.39 0.38 0.0137 0.89 0.9004 0.9303 1157091 IFLab1_001869 CC(=O)N(C1SC(=O)N(C1=O)c2ccc(C)cc2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E22 compound treatment 0.404 0.0145 0.53 0.382 0.0157 1.02 1.0958 0.9544 1241476 IFLab1_001870 COC(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(C)cc3s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E23 mock treatment 0.394 0.0045 0.17 0.364 -0.00228 -0.15 0.0125 0.0562 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 E24 mock treatment 0.394 0.0045 0.17 0.369 0.00272 0.18 0.2413 0.9995 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F01 compound treatment 0.413 0.0235 0.86 0.386 0.0197 1.28 1.5125 0.9819 1544313 IFLab1_001871 CC(C)COP(=O)(C(O)c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F02 compound treatment 0.399 0.0095 0.35 0.343 -0.0233 -1.51 -0.8186 -0.5294 2066523 IFLab1_001872 FC(F)(F)c1cccc(Nc2ncnc3n(ncc23)c4ccccc4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F03 compound treatment 0.411 0.0215 0.79 0.384 0.0177 1.15 1.3691 0.9834 1307066 IFLab1_001873 Cc1ccccc1NC2(CCCCC2)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F04 compound treatment 0.404 0.0145 0.53 0.377 0.0107 0.69 0.867 0.9915 1307373 IFLab1_001874 CCN1CCN(CC1)c2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F05 compound treatment 0.449 0.0595 2.18 0.427 0.0607 3.93 4.3234 0.9616 2066524 IFLab1_001875 Brc1cccc(c1)c2nnc(SCC(=O)c3ccccc3)o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F06 compound treatment 0.407 0.0175 0.64 0.387 0.0207 1.34 1.4025 0.9433 2066525 IFLab1_001876 CN(C)CCCNc1ncnc2n(ncc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F07 compound treatment 0.414 0.0245 0.9 0.396 0.0297 1.92 1.9961 0.9401 2066526 IFLab1_001877 CC(C)(C)C(=O)CSc1nnc(o1)c2ccncc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F08 compound treatment 0.416 0.0265 0.97 0.403 0.0367 2.38 2.3683 0.9223 1703237 IFLab1_001878 COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc3CN(C)CCc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F09 compound treatment 0.406 0.0165 0.61 0.387 0.0207 1.34 1.3765 0.9356 1740986 IFLab1_001879 Clc1ccccc1c2ccc(o2)C(=O)N3CCOCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F10 compound treatment 0.417 0.0275 1.01 0.392 0.0257 1.66 1.8909 0.9713 1122518 IFLab1_001880 CC(C)N1CCc2c(C(=O)N)c(NC(=O)CCOc3ccccc3)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F11 compound treatment 0.405 0.0155 0.57 0.383 0.0167 1.08 1.1675 0.955 2066527 IFLab1_001881 CSc1nnc(CNC(=O)c2ccccc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F12 compound treatment 0.404 0.0145 0.53 0.379 0.0127 0.82 0.9585 0.9778 1555617 IFLab1_001882 CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F13 compound treatment 0.414 0.0245 0.9 0.4 0.0337 2.18 2.1791 0.9233 2066528 IFLab1_001883 CCC(=O)Nc1nnc(SC)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F14 compound treatment 0.474 0.0845 3.1 0.457 0.0907 5.87 6.3453 0.9556 1545087 IFLab1_001884 Clc1ccc(cc1)c2nnc(NC(=O)Cc3cccs3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F15 compound treatment 0.442 0.0525 1.93 0.418 0.0517 3.35 3.7298 0.9657 1476953 IFLab1_001885 CSc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F16 compound treatment 0.412 0.0225 0.83 0.392 0.0257 1.66 1.7611 0.9478 1255190 IFLab1_001886 O=C(CCc1ccccc1)Nc2nnc(SCC(=O)N3CCCCCC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F17 compound treatment 0.492 0.102 3.76 0.466 0.0997 6.45 7.2245 0.9671 2066529 IFLab1_001887 CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F18 compound treatment 0.415 0.0255 0.94 0.399 0.0327 2.12 2.1593 0.9327 1145823 IFLab1_001888 COCC(C)Nc1ncnc2n(cc(c3ccccc3)c12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F19 compound treatment 0.409 0.0195 0.72 0.392 0.0257 1.66 1.6832 0.929 1571608 IFLab1_001889 CC(C)Nc1ncnc2n(ncc12)c3ccc(Cl)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F20 compound treatment 0.422 0.0325 1.19 0.402 0.0357 2.31 2.4783 0.9527 2066530 IFLab1_001890 CCOC(=O)c1sc2nc(NC(=O)C)sc2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F21 compound treatment 0.403 0.0135 0.5 0.381 0.0147 0.95 1.024 0.9537 1229721 IFLab1_001891 Cc1ccc(c(C)c1)n2ncc3c(NCC4CCCO4)ncnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F22 compound treatment 0.481 0.0915 3.36 0.454 0.0877 5.68 6.3898 0.9687 1390189 IFLab1_001892 Clc1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F23 mock treatment 0.402 0.0125 0.46 0.378 0.0117 0.76 0.8608 0.9711 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 F24 mock treatment 0.397 0.0075 0.28 0.376 0.00972 0.63 0.6395 0.9314 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G01 compound treatment 0.378 -0.0115 -0.42 0.375 0.00872 0.56 0.1003 0.1424 2066531 IFLab1_001893 Cc1ccc(o1)C2CC(=O)NC(=C2C#N)SCC=C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G02 compound treatment 0.399 0.0095 0.35 0.374 0.00772 0.5 0.5999 0.9846 1540328 IFLab1_001894 Cc1ccc(cc1)c2nnc(NC(=O)C3CC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G03 compound treatment 0.402 0.0125 0.46 0.373 0.00672 0.43 0.632 0.9996 1229379 IFLab1_001895 CCSC1=C(C#N)C(CC(=O)N1)c2cccc(Cl)c2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G04 compound treatment 0.419 0.0295 1.08 0.4 0.0337 2.18 2.3089 0.9478 1704234 IFLab1_001896 CCc1nnc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G05 compound treatment 0.411 0.0215 0.79 0.395 0.0287 1.86 1.8724 0.9273 1412010 IFLab1_001897 Cc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G06 compound treatment 0.425 0.0355 1.3 0.417 0.0507 3.28 3.2426 0.9182 2066532 IFLab1_001898 NC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(Cl)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G07 compound treatment 0.4 0.0105 0.39 0.371 0.00472 0.31 0.4886 0.9933 1738994 IFLab1_001899 CCC(=O)Nc1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G08 compound treatment 0.489 0.0995 3.65 0.458 0.0917 5.94 6.7805 0.9728 1544297 IFLab1_001900 CC(C)(C)C(=O)Nc1ccc(c2nc3ccccc3s2)c(O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G09 compound treatment 0.399 0.0095 0.35 0.377 0.0107 0.69 0.7372 0.9494 1192710 IFLab1_001901 CCOc1ccc(cc1)S(=O)(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G10 compound treatment 0.399 0.0095 0.35 0.377 0.0107 0.69 0.7372 0.9494 2066533 IFLab1_001902 CCCc1nc2ccccc2n1CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G11 compound treatment 0.41 0.0205 0.75 0.375 0.00872 0.56 0.9313 0.9899 1393173 IFLab1_001903 CS(=O)(=O)c1ccc2nc(NC(=O)CCSc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G12 compound treatment 0.41 0.0205 0.75 0.388 0.0217 1.41 1.5261 0.9572 2066534 IFLab1_001904 CCOC(=O)C(C)Sc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G13 compound treatment 0.478 0.0885 3.25 0.46 0.0937 6.06 6.5864 0.9572 2066535 IFLab1_001905 O=C(Nc1nc(cs1)c2ccc(C#N)cc2)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G14 compound treatment 0.406 0.0165 0.61 0.387 0.0207 1.34 1.3765 0.9356 2066536 IFLab1_001906 CC(C)Sc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G15 compound treatment 0.396 0.0065 0.24 0.376 0.00972 0.63 0.6135 0.912 1134081 IFLab1_001907 Cc1cc(C)c2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G16 compound treatment 0.399 0.0095 0.35 0.374 0.00772 0.5 0.5999 0.9846 2066537 IFLab1_001908 Oc1c(/C=N/c2ncccn2)c(=O)oc3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G17 compound treatment 0.406 0.0165 0.61 0.386 0.0197 1.28 1.3307 0.9421 1344110 IFLab1_001909 O=C(CN1C(=O)CCC1=O)Nc2sc3CCCc3c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G18 compound treatment 0.405 0.0155 0.57 0.379 0.0127 0.82 0.9845 0.9838 1590099 IFLab1_001910 Clc1ccc(OC(=O)c2cccs2)c3ncccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G19 compound treatment 0.408 0.0185 0.68 0.392 0.0257 1.66 1.6572 0.9219 1236688 IFLab1_001911 CN(C)c1ccc(cc1)C(=O)N=c2sc3cc(Cl)ccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G20 compound treatment 0.399 0.0095 0.35 0.386 0.0197 1.28 1.149 0.8686 1116313 IFLab1_001912 OC(=O)Cn1c(=S)sc2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G21 compound treatment 0.391 0.0015 0.06 0.377 0.0107 0.69 0.5294 0.7609 2066538 IFLab1_001913 Cn1ncc(I)c1C(=O)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G22 compound treatment 0.409 0.0195 0.72 0.388 0.0217 1.41 1.5002 0.9511 1593262 IFLab1_001914 COC(=O)c1ccc(cc1)C(=O)Nc2cccc3c(OC)cccc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G23 mock treatment 0.391 0.0015 0.06 0.364 -0.00228 -0.15 -0.0654 -0.4153 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 G24 mock treatment 0.394 0.0045 0.17 0.369 0.00272 0.18 0.2413 0.9995 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H01 compound treatment 0.403 0.0135 0.5 0.366 -2.81E-4 -0.02 0.3377 0.6807 1539174 IFLab1_001915 CC(C)OP(=O)(C(Nc1ccccc1)c2ccccc2)c3ccc(cc3)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H02 compound treatment 0.398 0.0085 0.31 0.371 0.00472 0.31 0.4366 0.9999 1420157 IFLab1_001916 CCN(CC)c1ncnc2n(ncc12)c3ccc(OC)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H03 compound treatment 0.401 0.0115 0.42 0.372 0.00572 0.37 0.5603 0.9978 1689697 IFLab1_001917 COc1ccccc1NC2(CCCCC2)C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H04 compound treatment 0.398 0.0085 0.31 0.378 0.0117 0.76 0.7569 0.923 1124205 IFLab1_001918 CCC(CO)Nc1ncnc2n(ncc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H05 compound treatment 0.408 0.0185 0.68 0.39 0.0237 1.53 1.5657 0.9328 2066539 IFLab1_001919 CCOc1ccc(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H06 compound treatment 0.396 0.0065 0.24 0.38 0.0137 0.89 0.7965 0.8665 1562161 IFLab1_001920 CCN(CC)CCNc1ncnc2n(ncc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H07 compound treatment 0.406 0.0165 0.61 0.391 0.0247 1.6 1.5595 0.9117 2066540 IFLab1_001921 CCCn1c[n+](CC(=O)C(C)(C)C)c2ccccc12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H08 compound treatment 0.402 0.0125 0.46 0.379 0.0127 0.82 0.9066 0.962 1470976 IFLab1_001922 COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc3CN(CCc13)C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H09 compound treatment 0.401 0.0115 0.42 0.377 0.0107 0.69 0.7891 0.9717 1452917 IFLab1_001923 COC(=O)C1=C(C)Nc2ncnn2C1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H10 compound treatment 0.417 0.0275 1.01 0.39 0.0237 1.53 1.7994 0.9794 1684580 IFLab1_001924 CC(=O)Nc1sc(Cc2ccc3OCOc3c2)c(C)c1C(=O)N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H11 compound treatment 0.397 0.0075 0.28 0.382 0.0157 1.02 0.914 0.8673 1611826 IFLab1_001925 CCSc1nnc(CNC(=O)c2ccccc2)n1c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H12 compound treatment 0.395 0.0055 0.2 0.372 0.00572 0.37 0.4045 0.9594 1342725 IFLab1_001926 CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H13 compound treatment 0.412 0.0225 0.83 0.399 0.0327 2.12 2.0814 0.9158 2066541 IFLab1_001927 CSc1nnc(NC(=O)C(C)C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H14 compound treatment 0.427 0.0375 1.38 0.402 0.0357 2.31 2.6082 0.9694 1318892 IFLab1_001928 COC(=O)C1=C(CCS1)NC(=O)c2ccc3OCOc3c2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H15 compound treatment 0.506 0.117 4.28 0.434 0.0677 4.38 6.1238 0.9999 1714879 IFLab1_001929 Clc1ccccc1C(=O)Nc2nnc(SCc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H16 compound treatment 0.419 0.0295 1.08 0.407 0.0407 2.63 2.6292 0.9229 2066542 IFLab1_001930 O=C(CSCc1ccccc1)Nc2nnc(SCC(=O)N3CCCCCC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H17 compound treatment 0.418 0.0285 1.05 0.402 0.0357 2.31 2.3745 0.9358 1321105 IFLab1_001931 Fc1cccc(Cl)c1C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc34)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H18 compound treatment 0.4 0.0105 0.39 0.386 0.0197 1.28 1.1749 0.8814 1246268 IFLab1_001932 CC(O)CNc1ncnc2n(cc(c3ccccc3)c12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H19 compound treatment 0.4 0.0105 0.39 0.377 0.0107 0.69 0.7631 0.9616 1334198 IFLab1_001933 Cc1cccc(c1)n2ncc3c(NC(C)(C)C)ncnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H20 compound treatment 0.404 0.0145 0.53 0.38 0.0137 0.89 1.0043 0.9701 2066543 IFLab1_001934 CCOC(=O)c1sc(NC(=O)c2ccccc2)c(SC#N)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H21 compound treatment 0.41 0.0205 0.75 0.385 0.0187 1.21 1.3888 0.9738 1526571 IFLab1_001935 Clc1ccc(cc1)n2ncc3c(Nc4ccccc4)ncnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H22 compound treatment 0.447 0.0575 2.11 0.397 0.0307 1.99 2.8987 0.9995 1622380 IFLab1_001936 CSc1nc2ccc(NC(=O)C3COc4ccccc4O3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H23 mock treatment 0.396 0.0065 0.24 0.366 -2.81E-4 -0.02 0.1559 0.6513 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 H24 mock treatment 0.395 0.0055 0.2 0.372 0.00572 0.37 0.4045 0.9594 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I01 compound treatment 0.408 0.0185 0.68 0.384 0.0177 1.15 1.2912 0.9688 1433444 IFLab1_001937 COC(=O)C1C(C(=C(NC1=O)SC)C#N)c2ccccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I02 compound treatment 0.407 0.0175 0.64 0.394 0.0277 1.79 1.7228 0.9042 1268390 IFLab1_001938 Brc1ccc(cc1)c2nnc(NC(=O)C3CC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I03 compound treatment 0.408 0.0185 0.68 0.39 0.0237 1.53 1.5657 0.9328 2066544 IFLab1_001939 CCOc1ccc(cc1)C2[C@H](C(=O)OC)C(=O)NC(=C2C#N)SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I04 compound treatment 0.413 0.0235 0.86 0.394 0.0277 1.79 1.8786 0.9438 2066545 IFLab1_001940 CCSc1nnc(NC(=O)c2c(C)onc2c3ccccc3Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I05 compound treatment 0.407 0.0175 0.64 0.386 0.0197 1.28 1.3567 0.9496 1351574 IFLab1_001941 CCSC1=C(C#N)C(C(C#N)C(=O)N1)c2ccccc2OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I06 compound treatment 0.469 0.0795 2.92 0.456 0.0897 5.81 6.1697 0.9494 1251069 IFLab1_001942 CCOC(=O)c1sc2nc(N)c(C#N)c(c3ccc(Cl)cc3)c2c1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I07 compound treatment 0.425 0.0355 1.3 0.413 0.0467 3.02 3.0596 0.9293 1655783 IFLab1_001943 OCC(=O)Nc1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I08 compound treatment 0.414 0.0245 0.9 0.402 0.0357 2.31 2.2706 0.9154 1662562 IFLab1_001944 CSc1nc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I09 compound treatment 0.408 0.0185 0.68 0.394 0.0277 1.79 1.7487 0.9117 2066546 IFLab1_001945 COC(=O)c1cccc2c(Br)ccc(C(=O)OC)c12 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I10 compound treatment 0.404 0.0145 0.53 0.39 0.0237 1.53 1.4618 0.8998 2066547 IFLab1_001946 CCCc1nc2ccccc2n1C(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I11 compound treatment 0.434 0.0445 1.63 0.413 0.0467 3.02 3.2933 0.9583 1244189 IFLab1_001947 O=C(CCc1ccccc1)Nc2nc(cs2)c3ccc(C#N)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I12 compound treatment 0.409 0.0195 0.72 0.395 0.0287 1.86 1.8205 0.9141 1421279 IFLab1_001948 CCOC(=O)C(C)Sc1nnc(NC(=O)C2CC2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I13 compound treatment 0.394 0.0045 0.17 0.378 0.0117 0.76 0.6531 0.8414 2066548 IFLab1_001949 O=C(Nc1ccc2OCOc2c1)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I14 compound treatment 0.414 0.0245 0.9 0.403 0.0367 2.38 2.3164 0.9117 1169448 IFLab1_001950 CC(C)Sc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I15 compound treatment 0.403 0.0135 0.5 0.391 0.0247 1.6 1.4816 0.8847 1321566 IFLab1_001951 O=C(CN1C(=O)CCC1=O)Nc2nc(cs2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I16 compound treatment 0.405 0.0155 0.57 0.394 0.0277 1.79 1.6708 0.8879 2066549 IFLab1_001952 Cc1cc(C)nc(N/C=C/2\C(=O)Oc3ccccc3C2=O)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I17 compound treatment 0.411 0.0215 0.79 0.401 0.0347 2.25 2.1469 0.9015 1599758 IFLab1_001953 Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I18 compound treatment 0.471 0.0815 2.99 0.452 0.0857 5.55 6.0386 0.9581 1699779 IFLab1_001954 c1coc(c1)c2ncc3ccccn23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I19 compound treatment 0.449 0.0595 2.18 0.44 0.0737 4.77 4.9182 0.9373 2066550 IFLab1_001955 Cn1c(=NC(=O)/C=C/c2cccs2)sc3cc(Cl)ccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I20 compound treatment 0.763 0.374 13.72 0.716 0.35 22.63 25.7009 0.9712 2066551 IFLab1_001956 CN1/C(=C\C=C2C(=O)CC(C)(C)CC2=O)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I21 compound treatment 0.407 0.0175 0.64 0.387 0.0207 1.34 1.4025 0.9433 1385511 IFLab1_001957 CCOc1ccc(NC(=O)c2ccccc2NC(=O)c3cccnc3)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I22 compound treatment 0.409 0.0195 0.72 0.383 0.0167 1.08 1.2714 0.9799 1606202 IFLab1_001958 COC(=O)c1ccc(cc1)C(=O)Nc2cc(C)on2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I23 mock treatment 0.399 0.0095 0.35 0.376 0.00972 0.63 0.6914 0.9613 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 I24 mock treatment 0.4 0.0105 0.39 0.378 0.0117 0.76 0.8089 0.9508 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J01 compound treatment 0.389 -5.0E-4 -0.02 0.366 -2.81E-4 -0.02 -0.0259 -1.0 2066552 IFLab1_001959 Fc1ccc(/C=N/n2cnnc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J02 compound treatment 0.391 0.0015 0.06 0.365 -0.00128 -0.08 -0.0197 -0.1977 1435936 IFLab1_001960 CCN(CC)c1ncnc2n(ncc12)c3cccc(C)c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J03 compound treatment 0.398 0.0085 0.31 0.375 0.00872 0.56 0.6197 0.961 1540841 IFLab1_001961 COc1ccc(NC2(CCCCC2)C#N)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J04 compound treatment 0.407 0.0175 0.64 0.38 0.0137 0.89 1.0822 0.9874 1429199 IFLab1_001962 COc1cccc(Nc2ncnc3n(ncc23)c4ccccc4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J05 compound treatment 0.396 0.0065 0.24 0.374 0.00772 0.5 0.522 0.9429 2066553 IFLab1_001963 C/N=C(/O)\n1c(nc2ccccc12)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J06 compound treatment 0.398 0.0085 0.31 0.375 0.00872 0.56 0.6197 0.961 1688897 IFLab1_001964 CCN(c1ccccc1)c2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J07 compound treatment 0.472 0.0825 3.03 0.434 0.0677 4.38 5.2409 0.9838 2066554 IFLab1_001965 CSc1ccc(cc1)c2cn3ccsc3n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J08 compound treatment 0.425 0.0355 1.3 0.409 0.0427 2.76 2.8765 0.9412 2066555 IFLab1_001966 CC(C)N1CCc2c(C#N)c(NC(=O)CCc3ccccc3)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J09 compound treatment 0.396 0.0065 0.24 0.378 0.0117 0.76 0.705 0.8868 1694650 IFLab1_001967 CC1=C(C(c2ccccc2Cl)n3ncnc3N1)C(=O)Nc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J10 compound treatment 0.393 0.0035 0.13 0.366 -2.81E-4 -0.02 0.078 0.601 2066556 IFLab1_001968 COc1ccc(cc1)C(=O)NCc2nnc(SC(C)C)n2c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J11 compound treatment 0.397 0.0075 0.28 0.381 0.0147 0.95 0.8683 0.8757 2066557 IFLab1_001969 O=C(CSc1nnc(CNC(=O)c2ccccc2)n1c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J12 compound treatment 0.389 -5.0E-4 -0.02 0.375 0.00872 0.56 0.386 0.6837 2066558 IFLab1_001970 CCCSc1nnc(CNC(=O)C2(CC3CC4CC(C3)C2)C4)n1CC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J13 compound treatment 0.388 -0.0015 -0.06 0.369 0.00272 0.18 0.0855 0.4635 2066559 IFLab1_001971 CC(C)Sc1nnc(NC(=O)C(C)C)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J14 compound treatment 0.396 0.0065 0.24 0.37 0.00372 0.24 0.3389 1.0 1599393 IFLab1_001972 COC(=O)C1=C(CCS1)NC(=O)CSCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J15 compound treatment 0.4 0.0105 0.39 0.375 0.00872 0.56 0.6716 0.9828 1542441 IFLab1_001973 CCCSc1nnc(NC(=O)c2ccccc2Br)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J16 compound treatment 0.454 0.0645 2.37 0.433 0.0667 4.32 4.7278 0.96 1319496 IFLab1_001974 COc1ccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J17 compound treatment 0.418 0.0285 1.05 0.399 0.0327 2.12 2.2372 0.9472 2066560 IFLab1_001975 CSc1nnc(NC(=O)c2ccco2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J18 compound treatment 0.396 0.0065 0.24 0.376 0.00972 0.63 0.6135 0.912 2066561 IFLab1_001976 CN(C)CCCNc1ncnc2n(cc(c3ccccc3)c12)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J19 compound treatment 0.398 0.0085 0.31 0.378 0.0117 0.76 0.7569 0.923 1338944 IFLab1_001977 C=CCNc1ncnc2n(ncc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J20 compound treatment 0.402 0.0125 0.46 0.381 0.0147 0.95 0.9981 0.944 2066562 IFLab1_001978 COc1cc(OC)cc(c1)C(=O)N=c2sc3cc(C)cc(C)c3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J21 compound treatment 0.395 0.0055 0.2 0.38 0.0137 0.89 0.7706 0.8464 1289588 IFLab1_001979 Cc1ccccc1Nc2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J22 compound treatment 0.389 -5.0E-4 -0.02 0.365 -0.00128 -0.08 -0.0716 -0.8433 1443554 IFLab1_001980 Cc1nc2cc(NC(=O)C3COc4ccccc4O3)ccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J23 mock treatment 0.39 5.0E-4 0.02 0.362 -0.00428 -0.28 -0.1829 -0.6588 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 J24 mock treatment 0.386 -0.0035 -0.13 0.367 7.19E-4 0.05 -0.058 -0.4243 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K01 compound treatment 0.407 0.0175 0.64 0.393 0.0267 1.73 1.677 0.9092 2066563 IFLab1_001981 CC(=C)CSC1=C(C#N)C(CC(=O)N1)c2sccc2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K02 compound treatment 0.444 0.0545 2.0 0.429 0.0627 4.06 4.2851 0.9469 1162356 IFLab1_001982 COc1ccc(Cl)cc1C(=O)Nc2nnc(s2)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K03 compound treatment 0.402 0.0125 0.46 0.377 0.0107 0.69 0.8151 0.9799 2066564 IFLab1_001983 NC(=O)CSC1=C(C#N)C(C(C(=O)c2cccs2)C(O)(N1)C(F)(F)F)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K04 compound treatment 0.419 0.0295 1.08 0.406 0.0397 2.57 2.5835 0.9262 1620885 IFLab1_001984 CCSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K05 compound treatment 0.406 0.0165 0.61 0.379 0.0127 0.82 1.0104 0.9887 1713691 IFLab1_001985 CCOc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K06 compound treatment 0.413 0.0235 0.86 0.389 0.0227 1.47 1.6498 0.9678 2066565 IFLab1_001986 COC(=O)c1sc2nc(N)c(C#N)c(c3ccc(Cl)cc3)c2c1N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K07 compound treatment 0.429 0.0395 1.45 0.393 0.0267 1.73 2.2483 0.9962 1417357 IFLab1_001987 Brc1ccc2[nH]c(=O)c(N3CCCCC3)c(c4ccccc4)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K08 compound treatment 0.41 0.0205 0.75 0.393 0.0267 1.73 1.7549 0.9306 1512636 IFLab1_001988 Cn1c(=NC(=O)c2cc(=O)c3ccccc3o2)sc4cc(Br)ccc14 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K09 compound treatment 0.396 0.0065 0.24 0.371 0.00472 0.31 0.3847 0.9926 1160121 IFLab1_001989 CCOc1nc(c(Cl)s1)S(=O)(=O)c2ccc(C)cc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K10 compound treatment 0.404 0.0145 0.53 0.378 0.0117 0.76 0.9127 0.985 1145304 IFLab1_001990 CCCc1nc2ccccc2n1CC(=O)N(C(C)C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K11 compound treatment 0.411 0.0215 0.79 0.386 0.0197 1.28 1.4606 0.9734 1666697 IFLab1_001991 CC(=O)Nc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K12 compound treatment 0.485 0.0955 3.51 0.485 0.119 7.68 7.9121 0.9369 1298019 IFLab1_001992 COc1ccc(Cl)cc1C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K13 compound treatment 0.423 0.0335 1.23 0.398 0.0317 2.05 2.3213 0.97 2066566 IFLab1_001993 O=C(Nc1sc2CCCCc2c1C#N)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K14 compound treatment 0.407 0.0175 0.64 0.389 0.0227 1.47 1.494 0.9311 1171242 IFLab1_001994 COc1cccc(OC)c1C(=O)Nc2nnc(SC)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K15 compound treatment 0.398 0.0085 0.31 0.376 0.00972 0.63 0.6654 0.9477 1413908 IFLab1_001995 Cc1ccc2n(C)c(=NC(=O)CN3C(=O)CCC3=O)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K16 compound treatment 0.402 0.0125 0.46 0.389 0.0227 1.47 1.3641 0.8857 2066567 IFLab1_001996 FC(F)(F)c1cccc(N/C=C/2\C(=O)Oc3ccccc3C2=O)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K17 compound treatment 0.397 0.0075 0.28 0.389 0.0227 1.47 1.2343 0.8252 1284270 IFLab1_001997 O=S(=O)(N1CCN(Cc2ccccc2)CC1)c3cccc4cccnc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K18 compound treatment 0.517 0.128 4.68 0.461 0.0947 6.13 7.6449 0.9912 1654918 IFLab1_001998 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N2CCN(CCO)CC2)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K19 compound treatment 0.47 0.0805 2.96 0.46 0.0937 6.06 6.3787 0.9454 1139214 IFLab1_001999 Cc1cccc(NC(=O)CCSc2ccccc2)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K20 compound treatment 0.395 0.0055 0.2 0.376 0.00972 0.63 0.5875 0.8894 1057475 IFLab1_002000 OCc1nc2ccccc2s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K21 compound treatment 0.393 0.0035 0.13 0.367 7.19E-4 0.05 0.1238 0.9055 2066568 IFLab1_002001 Clc1cccc(/C=C/C(=O)Nc2cc3ccccc3oc2=O)c1Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K22 compound treatment 0.405 0.0155 0.57 0.389 0.0227 1.47 1.442 0.9147 2066569 IFLab1_002002 COC(=O)c1ccc(cc1)C(=O)/C(=C\2/Nc3ccccc3S2)/C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K23 mock treatment 0.393 0.0035 0.13 0.366 -2.81E-4 -0.02 0.078 0.601 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 K24 mock treatment 0.396 0.0065 0.24 0.373 0.00672 0.43 0.4762 0.9601 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L01 compound treatment 0.423 0.0335 1.23 0.401 0.0347 2.25 2.4585 0.9598 2066570 IFLab1_002003 CS(=O)(=O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L02 compound treatment 0.403 0.0135 0.5 0.382 0.0157 1.02 1.0698 0.9454 1639021 IFLab1_002004 CCN(CC)c1ncnc2n(ncc12)c3ccc(C)cc3C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L03 compound treatment 0.405 0.0155 0.57 0.389 0.0227 1.47 1.442 0.9147 1273051 IFLab1_002005 O=C(N1CCN(CC1)C(C#N)c2ccco2)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L04 compound treatment 0.406 0.0165 0.61 0.393 0.0267 1.73 1.651 0.9012 1323830 IFLab1_002006 COc1ccc(CNc2ncnc3n(ncc23)c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L05 compound treatment 0.451 0.0615 2.26 0.444 0.0777 5.03 5.1532 0.9347 2066571 IFLab1_002007 COc1ccccc1/C=C/2\C(=Nc3ccccc23)O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L06 compound treatment 0.401 0.0115 0.42 0.371 0.00472 0.31 0.5145 0.9873 1719787 IFLab1_002008 CC1CC(C)CN(C1)c2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L07 compound treatment 0.407 0.0175 0.64 0.392 0.0257 1.66 1.6313 0.9143 1432193 IFLab1_002009 COC(=O)Nc1ccc(SCC(=O)N(C(C)C)c2ccccc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L08 compound treatment 0.408 0.0185 0.68 0.398 0.0317 2.05 1.9318 0.8935 2066572 IFLab1_002010 CC(C)(C)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L09 compound treatment 0.425 0.0355 1.3 0.391 0.0247 1.6 2.0529 0.9948 1183269 IFLab1_002011 Fc1ccc(cc1)C(CC(=O)c2ccncc2)SCc3ccco3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L10 compound treatment 0.395 0.0055 0.2 0.379 0.0127 0.82 0.7248 0.8553 1561883 IFLab1_002012 COc1ccc(cc1)C(=O)NCc2nnc(SC)n2Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L11 compound treatment 0.407 0.0175 0.64 0.395 0.0287 1.86 1.7685 0.8994 1657887 IFLab1_002013 CCCSc1nnc(CNC(=O)c2cccc(F)c2)n1c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L12 compound treatment 0.428 0.0385 1.41 0.396 0.0297 1.92 2.3596 0.9886 1537959 IFLab1_002014 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)CCc4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L13 compound treatment 0.41 0.0205 0.75 0.394 0.0277 1.79 1.8007 0.9257 1615904 IFLab1_002015 CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L14 compound treatment 0.403 0.0135 0.5 0.416 0.0497 3.22 2.6256 0.8065 1717888 IFLab1_002016 COC(=O)C1=C(CCS1)NC(=O)c2cc3ccccc3oc2=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L15 compound treatment 0.41 0.0205 0.75 0.389 0.0227 1.47 1.5719 0.9517 1193481 IFLab1_002017 Cc1ccc(cc1)C(=O)Nc2nnc(SCc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L16 compound treatment 0.403 0.0135 0.5 0.391 0.0247 1.6 1.4816 0.8847 2066573 IFLab1_002018 O=C(CSCc1ccccc1)Nc2nnc(SCc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L17 compound treatment 0.5 0.111 4.06 0.476 0.11 7.1 7.8898 0.9648 2066574 IFLab1_002019 O=C(Nc1nnc(SCc2ccccc2)s1)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L18 compound treatment 0.433 0.0435 1.6 0.407 0.0407 2.63 2.9928 0.9712 1714750 IFLab1_002020 CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCCC2c3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L19 compound treatment 0.462 0.0725 2.66 0.425 0.0587 3.8 4.5694 0.9849 1345426 IFLab1_002021 C(Nc1ncnc2n(ncc12)c3ccccc3)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L20 compound treatment 0.402 0.0125 0.46 0.378 0.0117 0.76 0.8608 0.9711 1270721 IFLab1_002022 O=C(N1CCN(CC1)c2nc3ccccc3s2)c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L21 compound treatment 0.402 0.0125 0.46 0.382 0.0157 1.02 1.0438 0.9354 1319044 IFLab1_002023 Cc1cccc(Nc2ncnc3n(ncc23)c4ccccc4)c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L22 compound treatment 0.41 0.0205 0.75 0.377 0.0107 0.69 1.0228 0.9992 1250717 IFLab1_002024 COc1ccc(cc1)c2csc(NC(=O)C3COc4ccccc4O3)n2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L23 mock treatment 0.408 0.0185 0.68 0.377 0.0107 0.69 0.9708 0.9999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 L24 mock treatment 0.392 0.0025 0.09 0.377 0.0107 0.69 0.5554 0.7938 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M01 compound treatment 0.392 0.0025 0.09 0.372 0.00572 0.37 0.3266 0.8566 2066575 IFLab1_002025 Cc1ccsc1C2CC(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M02 compound treatment 0.405 0.0155 0.57 0.376 0.00972 0.63 0.8472 0.9988 1521578 IFLab1_002026 Clc1ccccc1c2nnc(NC(=O)C3CC3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M03 compound treatment 0.401 0.0115 0.42 0.377 0.0107 0.69 0.7891 0.9717 2066576 IFLab1_002027 CSC1=C(C#N)C(C(C(=O)c2cccs2)C(O)(N1)C(F)(F)F)c3ccccc3Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M04 compound treatment 0.402 0.0125 0.46 0.387 0.0207 1.34 1.2726 0.898 1717378 IFLab1_002028 CCSc1nnc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M05 compound treatment 0.412 0.0225 0.83 0.391 0.0247 1.6 1.7153 0.9528 1367096 IFLab1_002029 CCOc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M06 compound treatment 0.44 0.0505 1.85 0.412 0.0457 2.96 3.4033 0.9747 2066577 IFLab1_002030 Cc1ccc(cc1)c2c(C#N)c(N)nc(SCC=C)c2C#N 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M07 compound treatment 0.401 0.0115 0.42 0.384 0.0177 1.15 1.1094 0.9079 1203190 IFLab1_002031 Cc1ccc2[nH]c(=O)c(N3CCCCC3)c(c4ccccc4)c2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M08 compound treatment 0.503 0.114 4.17 0.511 0.145 9.36 9.5692 0.9335 1351022 IFLab1_002032 CCOc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M09 compound treatment 0.423 0.0335 1.23 0.397 0.0307 1.99 2.2755 0.9734 1401467 IFLab1_002033 CC(=O)Nc1nc2sc(C)c(C)c2c(=O)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M10 compound treatment 0.401 0.0115 0.42 0.377 0.0107 0.69 0.7891 0.9717 1648432 IFLab1_002034 CCc1nc2ccccc2n1CC(=O)N(C(C)C)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M11 compound treatment 0.407 0.0175 0.64 0.385 0.0187 1.21 1.3109 0.956 1605456 IFLab1_002035 CCc1ccccc1NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M12 compound treatment 0.467 0.0775 2.85 0.454 0.0877 5.68 6.0262 0.949 1283829 IFLab1_002036 COc1ccc(CC(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M13 compound treatment 0.399 0.0095 0.35 0.382 0.0157 1.02 0.9659 0.8983 2066578 IFLab1_002037 O=C(Nc1sc2CCCc2c1C#N)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M14 compound treatment 0.401 0.0115 0.42 0.383 0.0167 1.08 1.0636 0.9158 1024180 IFLab1_002038 OC(c1ccccc1)c2ccccn2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M15 compound treatment 0.396 0.0065 0.24 0.378 0.0117 0.76 0.705 0.8868 1472063 IFLab1_002039 Clc1ccc(NC(=O)CN2C(=O)CCC2=O)c(c1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M16 compound treatment 0.399 0.0095 0.35 0.388 0.0217 1.41 1.2405 0.8566 1534214 IFLab1_002040 Fc1ccc(cc1)C(=O)Oc2ccc(Cl)c3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M17 compound treatment 0.388 -0.0015 -0.06 0.385 0.0187 1.21 0.8176 0.6743 2066579 IFLab1_002041 Brc1ccc(s1)C(=O)Nc2nc(cs2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M18 compound treatment 0.404 0.0145 0.53 0.396 0.0297 1.92 1.7364 0.8701 1235906 IFLab1_002042 OCc1cc(=O)c(O)c(o1)C(Nc2ccccn2)c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M19 compound treatment 0.569 0.179 6.59 0.465 0.0987 6.39 9.1782 0.9999 2066580 IFLab1_002043 O=C(COC(=O)/C=C/c1cccs1)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M20 compound treatment 0.395 0.0055 0.2 0.376 0.00972 0.63 0.5875 0.8894 1141707 IFLab1_002044 CC(C)Oc1ccc(cc1)C(=O)N=c2sc3cc(Cl)ccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M21 compound treatment 0.392 0.0025 0.09 0.367 7.19E-4 0.05 0.0978 0.9503 2066581 IFLab1_002045 Cc1cc(nn1CC(=O)N)C(F)(F)F 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M22 compound treatment 0.399 0.0095 0.35 0.373 0.00672 0.43 0.5541 0.994 1118672 IFLab1_002046 COC(=O)c1ccc(cc1)C(=O)Nc2ccc3n(c(C)nc3c2)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M23 mock treatment 0.395 0.0055 0.2 0.366 -2.81E-4 -0.02 0.1299 0.6408 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 M24 mock treatment 0.392 0.0025 0.09 0.361 -0.00528 -0.34 -0.1767 -0.4995 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N01 compound treatment 0.399 0.0095 0.35 0.378 0.0117 0.76 0.7829 0.9379 1367393 IFLab1_002047 CC(=C1C(=O)c2ccccc2C1=O)NCc3cccnc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N02 compound treatment 0.395 0.0055 0.2 0.368 0.00172 0.11 0.2215 0.9605 1346381 IFLab1_002048 CCCN(CCC)c1ncnc2n(ncc12)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N03 compound treatment 0.403 0.0135 0.5 0.378 0.0117 0.76 0.8868 0.9788 1741714 IFLab1_002049 N#CC1(CCCCC1)NCCc2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N04 compound treatment 0.391 0.0015 0.06 0.366 -2.81E-4 -0.02 0.0261 0.4496 1291416 IFLab1_002050 COc1ccccc1CNc2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N05 compound treatment 0.395 0.0055 0.2 0.377 0.0107 0.69 0.6333 0.8766 2066582 IFLab1_002051 O/C(=C/Sc1nnc(Cc2ccccc2)o1)/c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N06 compound treatment 0.392 0.0025 0.09 0.372 0.00572 0.37 0.3266 0.8566 1426062 IFLab1_002052 CC1CN(CC(C)O1)c2ncnc3n(ncc23)c4cccc(C)c4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N07 compound treatment 0.398 0.0085 0.31 0.39 0.0237 1.53 1.306 0.8338 2066583 IFLab1_002053 COC(=O)Nc1ccc(SCC(=O)Nc2ccc(C)cc2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N08 compound treatment 0.421 0.0315 1.16 0.405 0.0387 2.51 2.5896 0.9384 2066584 IFLab1_002054 CC(C)N1CCc2c(C#N)c(NC(=O)C(C)(C)C)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N09 compound treatment 0.407 0.0175 0.64 0.389 0.0227 1.47 1.494 0.9311 1195559 IFLab1_002055 Fc1ccc(cc1)C(Nc2ccccn2)c3c[nH]c4ccccc34 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N10 compound treatment 0.396 0.0065 0.24 0.375 0.00872 0.56 0.5677 0.9267 1426396 IFLab1_002056 COc1ccc(cc1)C(=O)NCc2nnc(SC(C)C)n2Cc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N11 compound treatment 0.397 0.0075 0.28 0.389 0.0227 1.47 1.2343 0.8252 1589739 IFLab1_002057 CCSc1nnc(CNC(=O)c2cccc(OC)c2)n1c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N12 compound treatment 0.402 0.0125 0.46 0.376 0.00972 0.63 0.7693 0.988 1323956 IFLab1_002058 COc1ccccc1c2nnc(NC(=O)CSCc3ccccc3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N13 compound treatment 0.415 0.0255 0.94 0.393 0.0267 1.73 1.8847 0.9585 1545951 IFLab1_002059 CC(C)CC(=O)Nc1nnc(SCc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N14 compound treatment 0.397 0.0075 0.28 0.38 0.0137 0.89 0.8225 0.8849 2066585 IFLab1_002060 CSc1nnc(NC(=O)/C=C\c2ccc3OCOc3c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N15 compound treatment 0.396 0.0065 0.24 0.378 0.0117 0.76 0.705 0.8868 2066586 IFLab1_002061 CSc1nnc(NC(=O)c2ccc(F)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N16 compound treatment 0.395 0.0055 0.2 0.382 0.0157 1.02 0.8621 0.8313 2066587 IFLab1_002062 COc1ccc(/C=C/C(=O)Nc2nnc(SCc3ccccc3)s2)cc1OC 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N17 compound treatment 0.402 0.0125 0.46 0.393 0.0267 1.73 1.5472 0.8649 2066588 IFLab1_002063 CSc1nnc(NC(=O)c2cccs2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N18 compound treatment 0.418 0.0285 1.05 0.393 0.0267 1.73 1.9626 0.9711 1380308 IFLab1_002064 Cc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N19 compound treatment 0.393 0.0035 0.13 0.384 0.0177 1.15 0.9017 0.7815 1724334 IFLab1_002065 Cc1ccc(c(C)c1)n2ncc3c(NC4CCCCC4)ncnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N20 compound treatment 0.396 0.0065 0.24 0.368 0.00172 0.11 0.2474 0.9396 1122906 IFLab1_002066 CCOC(=O)c1sc(NC(=O)COc2ccccc2)c(SC#N)c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N21 compound treatment 0.397 0.0075 0.28 0.37 0.00372 0.24 0.3649 0.9977 1438816 IFLab1_002067 Cc1ccc(Nc2ncnc3n(ncc23)c4ccccc4)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N22 compound treatment 0.39 5.0E-4 0.02 0.366 -2.81E-4 -0.02 1.0E-4 0.0044 2066589 IFLab1_002068 O=C(Nc1nc(cs1)c2cccs2)c3ccc4ncsc4c3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N23 mock treatment 0.39 5.0E-4 0.02 0.36 -0.00628 -0.41 -0.2744 -0.6745 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 N24 mock treatment 0.379 -0.0105 -0.39 0.37 0.00372 0.24 -0.1025 -0.2255 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O01 compound treatment 0.407 0.0175 0.64 0.369 0.00272 0.18 0.5788 0.8687 2066590 IFLab1_002069 COC(=O)[C@H]1C(C(=C(NC1=O)SCC=C)C#N)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O02 compound treatment 0.403 0.0135 0.5 0.38 0.0137 0.89 0.9783 0.9621 1131201 IFLab1_002070 Cc1nnc(NC(=O)c2ccc3ccccc3c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O03 compound treatment 0.41 0.0205 0.75 0.391 0.0247 1.6 1.6634 0.9409 1560450 IFLab1_002071 COC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c2ccccc2Cl 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O04 compound treatment 0.398 0.0085 0.31 0.386 0.0197 1.28 1.123 0.8549 1630046 IFLab1_002072 CC(C)c1nnc(NC(=O)c2ccc3ccccc3c2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O05 compound treatment 0.402 0.0125 0.46 0.383 0.0167 1.08 1.0896 0.9271 1660891 IFLab1_002073 COc1ccc(cc1)c2nnc(SCC(=O)O)n2CC(=C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O06 compound treatment 0.397 0.0075 0.28 0.388 0.0217 1.41 1.1886 0.8299 2066591 IFLab1_002074 O=C(Nc1nc(cs1)c2ccc3OCOc3c2)/C=C/c4ccco4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O07 compound treatment 0.391 0.0015 0.06 0.379 0.0127 0.82 0.6209 0.7527 1699053 IFLab1_002075 CCN(CC)c1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O08 compound treatment 0.398 0.0085 0.31 0.393 0.0267 1.73 1.4433 0.8215 1606282 IFLab1_002076 Cc1sc2nc(SCC(=O)N3CCCC3)[nH]c(=O)c2c1C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O09 compound treatment 0.394 0.0045 0.17 0.382 0.0157 1.02 0.8361 0.8113 2066592 IFLab1_002077 C=CCSc1nc2sc3CCCCc3c2c(=O)[nH]1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O10 compound treatment 0.396 0.0065 0.24 0.38 0.0137 0.89 0.7965 0.8665 2066593 IFLab1_002078 CCc1nc2ccccc2n1CC(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O11 compound treatment 0.393 0.0035 0.13 0.381 0.0147 0.95 0.7644 0.7953 1127904 IFLab1_002079 CCc1ccccc1NC(=O)c2cc(=O)c3ccccc3o2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O12 compound treatment 0.411 0.0215 0.79 0.403 0.0367 2.38 2.2385 0.894 1493243 IFLab1_002080 CCCSc1nnc(NC(=O)Cc2ccc(OC)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O13 compound treatment 0.391 0.0015 0.06 0.38 0.0137 0.89 0.6667 0.7495 1203259 IFLab1_002081 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)NCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O14 compound treatment 0.397 0.0075 0.28 0.39 0.0237 1.53 1.2801 0.8209 1402101 IFLab1_002082 CC(NC(=O)c1ccccc1)C(O)c2ccccc2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O15 compound treatment 0.398 0.0085 0.31 0.381 0.0147 0.95 0.8942 0.8921 1628010 IFLab1_002083 Cc1ccc(NC(=O)CN2C(=O)CCC2=O)c(c1)C(=O)c3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O16 compound treatment 0.394 0.0045 0.17 0.392 0.0257 1.66 1.2937 0.7735 1495979 IFLab1_002084 COc1ccc(cc1OC)C(=O)Oc2ccc(Cl)c3cccnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O17 compound treatment 0.383 -0.0065 -0.24 0.376 0.00972 0.63 0.2759 0.4102 1266836 IFLab1_002085 O=C(CCOc1ccccc1)Nc2nc(cs2)c3ccccn3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O18 compound treatment 0.442 0.0525 1.93 0.425 0.0587 3.8 4.0501 0.9505 1915215 IFLab1_002086 CN1/C(=C\C=N\c2cccc(c2)C(=O)O)/C(C)(C)c3ccccc13 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O19 compound treatment 0.387 -0.0025 -0.09 0.381 0.0147 0.95 0.6086 0.636 2066594 IFLab1_002087 O=C(OCc1ccc2OCOc2c1)/C=C/c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O20 compound treatment 0.393 0.0035 0.13 0.377 0.0107 0.69 0.5814 0.8241 1297842 IFLab1_002088 COc1cccc(OC)c1C(=O)N=c2sc3ccccc3n2C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O21 compound treatment 0.396 0.0065 0.24 0.397 0.0307 1.99 1.5744 0.7864 2066595 IFLab1_002089 FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCC#N)c3cccs3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O22 compound treatment 0.395 0.0055 0.2 0.382 0.0157 1.02 0.8621 0.8313 1453344 IFLab1_002090 O=C(CSc1nc2ccccc2s1)N3CCCCC3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O23 mock treatment 0.396 0.0065 0.24 0.371 0.00472 0.31 0.3847 0.9926 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 O24 mock treatment 0.378 -0.0115 -0.42 0.358 -0.00828 -0.54 -0.6775 -0.993 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P01 compound treatment 0.407 0.0175 0.64 0.366 -2.81E-4 -0.02 0.4415 0.6868 2066596 IFLab1_002091 COc1ccc(/C=C/C(=C2C(=O)c3ccccc3C2=O)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P02 compound treatment 0.395 0.0055 0.2 0.393 0.0267 1.73 1.3654 0.7844 1287937 IFLab1_002092 CN(C1CCCCC1)c2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P03 compound treatment 0.397 0.0075 0.28 0.398 0.0317 2.05 1.6461 0.7949 1374478 IFLab1_002093 COc1ccc(cc1)C(C#N)N2CCN(CC2)C(C#N)c3ccc(OC)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P04 compound treatment 0.396 0.0065 0.24 0.385 0.0187 1.21 1.0253 0.8305 1474382 IFLab1_002094 C(Nc1ncnc2n(ncc12)c3ccccc3)c4cccs4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P05 compound treatment 0.405 0.0155 0.57 0.405 0.0387 2.51 2.1742 0.8462 2066597 IFLab1_002095 CCOc1ccc(/C=C\2/C(=Nc3ccccc23)O)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P06 compound treatment 0.396 0.0065 0.24 0.396 0.0297 1.92 1.5287 0.7888 1265467 IFLab1_002096 Cc1ccc(c(C)c1)n2ncc3c(NCc4cccs4)ncnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P07 compound treatment 0.394 0.0045 0.17 0.39 0.0237 1.53 1.2022 0.7787 1649963 IFLab1_002097 COc1ccnc(Nc2ccc(C)cc2)n1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P08 compound treatment 0.398 0.0085 0.31 0.395 0.0287 1.86 1.5348 0.8145 1151052 IFLab1_002098 CN1CCc2c(C(=O)N)c(NC(=O)c3cc(Cl)sc3Cl)sc2C1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P09 compound treatment 0.395 0.0055 0.2 0.397 0.0307 1.99 1.5484 0.775 1597260 IFLab1_002099 Cc1occc(=O)c1OC(=O)c2ccc(cc2)C(C)(C)C 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P10 compound treatment 0.395 0.0055 0.2 0.389 0.0227 1.47 1.1824 0.7968 1130732 IFLab1_002100 COc1ccc(cc1)C(=O)NCc2nnc(SC)n2CCc3ccccc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P11 compound treatment 0.397 0.0075 0.28 0.396 0.0297 1.92 1.5546 0.8002 1217156 IFLab1_002101 CSc1nnc(CNC(=O)Cc2ccccc2)n1c3ccc(F)cc3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P12 compound treatment 0.389 -5.0E-4 -0.02 0.387 0.0207 1.34 0.9351 0.6974 1737840 IFLab1_002102 COc1ccc(OC)c(c1)c2nnc(NC(=O)Cc3cccs3)s2 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P13 compound treatment 0.393 0.0035 0.13 0.393 0.0267 1.73 1.3135 0.7576 1627526 IFLab1_002103 CC(C)(C)C(=O)Nc1nnc(SCc2ccccc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P14 compound treatment 0.395 0.0055 0.2 0.395 0.0287 1.86 1.4569 0.7794 1467867 IFLab1_002104 CSc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P15 compound treatment 0.401 0.0115 0.42 0.396 0.0297 1.92 1.6585 0.8423 1131969 IFLab1_002105 CC(C)Sc1nnc(NC(=O)c2ccc(F)cc2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P16 compound treatment 0.397 0.0075 0.28 0.395 0.0287 1.86 1.5089 0.8031 1642669 IFLab1_002106 Fc1ccc(CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P17 compound treatment 0.408 0.0185 0.68 0.4 0.0337 2.18 2.0233 0.8853 2066598 IFLab1_002107 CC(C)Sc1nnc(NC(=O)c2cccs2)s1 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P18 compound treatment 0.447 0.0575 2.11 0.439 0.0727 4.71 4.8205 0.9346 1153759 IFLab1_002108 Clc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3c4cccnc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P19 compound treatment 0.396 0.0065 0.24 0.393 0.0267 1.73 1.3914 0.7972 1297256 IFLab1_002109 Clc1ccc(cc1)n2ncc3c(NCc4ccco4)ncnc23 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P20 compound treatment 0.395 0.0055 0.2 0.384 0.0177 1.15 0.9536 0.8191 1399814 IFLab1_002110 O=C(CCOc1ccccc1)N2CCN(CC2)c3nc4ccccc4s3 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P21 compound treatment 0.383 -0.0065 -0.24 0.397 0.0307 1.99 1.2368 0.6178 1486928 IFLab1_002111 CCc1ccccc1Nc2ncnc3n(ncc23)c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P22 compound treatment 0.38 -0.0095 -0.35 0.385 0.0187 1.21 0.6099 0.4838 2066599 IFLab1_002112 Cc1sc(NC(=O)c2ccc3ncsc3c2)nc1c4ccccc4 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P23 mock treatment 0.388 -0.0015 -0.06 0.374 0.00772 0.5 0.3142 0.6253 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.1417 P24 mock treatment 0.369 -0.0205 -0.75 0.373 0.00672 0.43 -0.2249 -0.2587 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A01 mock treatment 0.377 -0.033 -1.21 0.387 -0.0116 -0.75 -1.3863 -0.9736 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A02 mock treatment 0.38 -0.03 -1.1 0.396 -0.0026 -0.17 -0.8966 -0.8058 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A03 mock treatment 0.389 -0.021 -0.77 0.392 -0.0066 -0.43 -0.8459 -0.9614 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A04 mock treatment 0.387 -0.023 -0.84 0.395 -0.0036 -0.23 -0.7606 -0.8698 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A05 mock treatment 0.388 -0.022 -0.81 0.388 -0.0106 -0.69 -1.0549 -0.9968 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A06 mock treatment 0.388 -0.022 -0.81 0.395 -0.0036 -0.23 -0.7346 -0.8755 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A07 mock treatment 0.381 -0.029 -1.06 0.395 -0.0036 -0.23 -0.9164 -0.8419 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A08 mock treatment 0.386 -0.024 -0.88 0.396 -0.0026 -0.17 -0.7408 -0.8272 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A09 mock treatment 0.381 -0.029 -1.06 0.391 -0.0076 -0.49 -1.0994 -0.9386 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A10 mock treatment 0.385 -0.025 -0.92 0.385 -0.0136 -0.88 -1.2701 -0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A11 mock treatment 0.39 -0.02 -0.73 0.394 -0.0046 -0.3 -0.7285 -0.9211 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A12 mock treatment 0.395 -0.015 -0.55 0.403 0.0044 0.28 -0.1868 -0.3019 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A13 mock treatment 0.396 -0.014 -0.51 0.393 -0.0056 -0.36 -0.6184 -0.9856 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A14 mock treatment 0.382 -0.028 -1.03 0.384 -0.0146 -0.94 -1.3938 -0.9991 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A15 mock treatment 0.388 -0.022 -0.81 0.387 -0.0116 -0.75 -1.1007 -0.9994 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A16 mock treatment 0.391 -0.019 -0.7 0.394 -0.0046 -0.3 -0.7025 -0.9281 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A17 mock treatment 0.575 0.165 6.06 0.386 -0.0126 -0.82 3.7093 0.6065 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A18 mock treatment 0.391 -0.019 -0.7 0.39 -0.0086 -0.56 -0.8855 -0.9938 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A19 mock treatment 0.384 -0.026 -0.95 0.388 -0.0106 -0.69 -1.1588 -0.9869 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A20 mock treatment 0.386 -0.024 -0.88 0.39 -0.0086 -0.56 -1.0154 -0.9756 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A21 mock treatment 0.373 -0.037 -1.36 0.384 -0.0146 -0.94 -1.6275 -0.9843 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A22 mock treatment 0.384 -0.026 -0.95 0.393 -0.0056 -0.36 -0.93 -0.9122 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A23 mock treatment 0.384 -0.026 -0.95 0.387 -0.0116 -0.75 -1.2046 -0.993 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base A24 mock treatment 0.363 -0.047 -1.72 0.394 -0.0046 -0.3 -1.4296 -0.817 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B01 mock treatment 0.403 -0.00695 -0.26 0.398 -5.96E-4 -0.04 -0.2079 -0.8048 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B02 mock treatment 0.399 -0.011 -0.4 0.406 0.0074 0.48 0.0543 0.0869 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B03 mock treatment 0.515 0.105 3.86 0.414 0.0154 1.0 3.4325 0.8615 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B04 mock treatment 0.403 -0.00695 -0.26 0.408 0.0094 0.61 0.2497 0.3784 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B05 mock treatment 0.404 -0.00595 -0.22 0.413 0.0144 0.93 0.5045 0.5269 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B06 mock treatment 0.4 -0.00995 -0.37 0.404 0.0054 0.35 -0.0112 -0.0222 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B07 mock treatment 0.404 -0.00595 -0.22 0.41 0.0114 0.74 0.3672 0.4771 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B08 mock treatment 0.411 0.00105 0.04 0.422 0.0234 1.51 1.0981 0.7248 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B09 mock treatment 0.408 -0.00195 -0.07 0.414 0.0154 1.0 0.6541 0.6545 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B10 mock treatment 0.4 -0.00995 -0.37 0.407 0.0084 0.54 0.1261 0.1924 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B11 mock treatment 0.406 -0.00395 -0.15 0.401 0.0024 0.16 0.0073 0.0343 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B12 mock treatment 0.403 -0.00695 -0.26 0.403 0.0044 0.28 0.0209 0.0547 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B13 mock treatment 0.412 0.00205 0.08 0.414 0.0154 1.0 0.758 0.7582 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B14 mock treatment 0.403 -0.00695 -0.26 0.405 0.0064 0.41 0.1124 0.231 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B15 mock treatment 0.399 -0.011 -0.4 0.405 0.0064 0.41 0.0086 0.0148 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B16 mock treatment 0.408 -0.00195 -0.07 0.409 0.0104 0.67 0.4253 0.6282 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B17 mock treatment 0.412 0.00205 0.08 0.413 0.0144 0.93 0.7122 0.7616 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B18 mock treatment 0.404 -0.00595 -0.22 0.405 0.0064 0.41 0.1384 0.2954 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B19 mock treatment 0.399 -0.011 -0.4 0.403 0.0044 0.28 -0.0829 -0.1682 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B20 mock treatment 0.396 -0.014 -0.51 0.404 0.0054 0.35 -0.1151 -0.1855 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B21 mock treatment 0.397 -0.013 -0.48 0.402 0.0034 0.22 -0.1806 -0.3446 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B22 mock treatment 0.399 -0.011 -0.4 0.398 -5.96E-4 -0.04 -0.3117 -0.7714 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B23 mock treatment 0.398 -0.012 -0.44 0.406 0.0074 0.48 0.0284 0.0437 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base B24 mock treatment 0.408 -0.00195 -0.07 0.393 -0.0056 -0.36 -0.3068 -0.8311 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C01 mock treatment 0.393 -0.017 -0.62 0.374 -0.0246 -1.59 -1.5657 -0.9161 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C02 mock treatment 0.379 -0.031 -1.14 0.385 -0.0136 -0.88 -1.4259 -0.992 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C03 mock treatment 0.376 -0.034 -1.25 0.381 -0.0176 -1.14 -1.6868 -0.999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C04 mock treatment 0.41 4.57E-5 0.0 0.391 -0.0076 -0.49 -0.3464 -0.7047 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C05 mock treatment 0.427 0.017 0.63 0.384 -0.0146 -0.94 -0.2253 -0.1988 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C06 mock treatment 0.42 0.01 0.37 0.384 -0.0146 -0.94 -0.407 -0.4014 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C07 mock treatment 0.422 0.012 0.44 0.386 -0.0126 -0.82 -0.2636 -0.2842 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C08 mock treatment 0.436 0.026 0.96 0.395 -0.0036 -0.23 0.5118 0.5199 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C09 mock treatment 0.426 0.016 0.59 0.388 -0.0106 -0.69 -0.0682 -0.0755 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C10 mock treatment 0.409 -9.54E-4 -0.04 0.38 -0.0186 -1.2 -0.8757 -0.7274 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C11 mock treatment 0.451 0.041 1.51 0.384 -0.0146 -0.94 0.3979 0.2237 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C12 mock treatment 0.391 -0.019 -0.7 0.383 -0.0156 -1.01 -1.2058 -0.9835 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C13 mock treatment 0.392 -0.018 -0.66 0.389 -0.0096 -0.62 -0.9053 -0.9996 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C14 mock treatment 0.406 -0.00395 -0.15 0.383 -0.0156 -1.01 -0.8163 -0.8006 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C15 mock treatment 0.422 0.012 0.44 0.376 -0.0226 -1.46 -0.7212 -0.4721 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C16 mock treatment 0.434 0.024 0.88 0.388 -0.0106 -0.69 0.1395 0.1248 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C17 mock treatment 0.457 0.047 1.73 0.392 -0.0066 -0.43 0.9198 0.5169 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C18 mock treatment 0.409 -9.54E-4 -0.04 0.392 -0.0066 -0.43 -0.3266 -0.7626 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C19 mock treatment 0.424 0.014 0.52 0.379 -0.0196 -1.27 -0.532 -0.3886 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C20 mock treatment 0.417 0.00705 0.26 0.379 -0.0196 -1.27 -0.7137 -0.5515 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C21 mock treatment 0.376 -0.034 -1.25 0.376 -0.0226 -1.46 -1.9156 -0.9969 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C22 mock treatment 0.376 -0.034 -1.25 0.378 -0.0206 -1.33 -1.8241 -0.9994 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C23 mock treatment 0.369 -0.041 -1.5 0.378 -0.0206 -1.33 -2.0059 -0.9982 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base C24 mock treatment 0.385 -0.025 -0.92 0.403 0.0044 0.28 -0.4465 -0.4652 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D01 mock treatment 0.398 -0.012 -0.44 0.399 4.04E-4 0.03 -0.2919 -0.6639 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D02 mock treatment 0.391 -0.019 -0.7 0.395 -0.0036 -0.23 -0.6567 -0.8948 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D03 mock treatment 0.391 -0.019 -0.7 0.397 -0.0016 -0.1 -0.5652 -0.8033 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D04 mock treatment 0.43 0.02 0.74 0.394 -0.0046 -0.3 0.3102 0.3907 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D05 mock treatment 0.454 0.044 1.62 0.395 -0.0036 -0.23 0.9791 0.5992 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D06 mock treatment 0.474 0.064 2.35 0.395 -0.0036 -0.23 1.4985 0.634 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D07 mock treatment 0.458 0.048 1.76 0.405 0.0064 0.41 1.5406 0.8501 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D08 mock treatment 0.46 0.05 1.84 0.403 0.0044 0.28 1.501 0.8071 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D09 mock treatment 0.464 0.054 1.98 0.402 0.0034 0.22 1.5591 0.7808 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D10 mock treatment 0.452 0.042 1.54 0.394 -0.0046 -0.3 0.8815 0.5606 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D11 mock treatment 0.446 0.036 1.32 0.4 0.0014 0.09 1.0002 0.7539 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D12 mock treatment 0.421 0.011 0.41 0.397 -0.0016 -0.1 0.2138 0.5107 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D13 mock treatment 0.457 0.047 1.73 0.409 0.0104 0.67 1.6977 0.9156 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D14 mock treatment 0.449 0.039 1.43 0.394 -0.0046 -0.3 0.8036 0.5487 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D15 mock treatment 0.458 0.048 1.76 0.393 -0.0056 -0.36 0.9915 0.5505 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D16 mock treatment 0.484 0.074 2.72 0.42 0.0214 1.39 2.9021 0.951 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D17 mock treatment 0.49 0.08 2.94 0.407 0.0084 0.54 2.463 0.8239 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D18 mock treatment 0.489 0.079 2.9 0.398 -5.96E-4 -0.04 2.0252 0.6976 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D19 mock treatment 0.451 0.041 1.51 0.397 -0.0016 -0.1 0.9928 0.6571 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D20 mock treatment 0.459 0.049 1.8 0.401 0.0024 0.16 1.3835 0.7653 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D21 mock treatment 0.389 -0.021 -0.77 0.391 -0.0076 -0.49 -0.8917 -0.9766 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D22 mock treatment 0.392 -0.018 -0.66 0.396 -0.0026 -0.17 -0.585 -0.8598 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D23 mock treatment 0.389 -0.021 -0.77 0.393 -0.0056 -0.36 -0.8002 -0.9409 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base D24 mock treatment 0.387 -0.023 -0.84 0.393 -0.0056 -0.36 -0.8521 -0.9288 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E01 mock treatment 0.398 -0.012 -0.44 0.403 0.0044 0.28 -0.1089 -0.2081 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E02 mock treatment 0.394 -0.016 -0.59 0.405 0.0064 0.41 -0.1213 -0.169 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E03 mock treatment 0.396 -0.014 -0.51 0.4 0.0014 0.09 -0.2981 -0.5728 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E04 mock treatment 0.437 0.027 0.99 0.399 4.04E-4 0.03 0.7208 0.7255 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E05 mock treatment 0.445 0.035 1.29 0.397 -0.0016 -0.1 0.837 0.6483 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E06 mock treatment 0.477 0.067 2.46 0.404 0.0054 0.35 1.9882 0.7995 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E07 mock treatment 0.456 0.046 1.69 0.405 0.0064 0.41 1.4887 0.8551 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E08 mock treatment 0.477 0.067 2.46 0.414 0.0154 1.0 2.4458 0.9208 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E09 mock treatment 0.462 0.052 1.91 0.404 0.0054 0.35 1.5987 0.8228 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E10 mock treatment 0.43 0.02 0.74 0.403 0.0044 0.28 0.722 0.9147 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E11 mock treatment 0.473 0.063 2.32 0.391 -0.0076 -0.49 1.2895 0.5448 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E12 mock treatment 0.461 0.051 1.87 0.405 0.0064 0.41 1.6185 0.8431 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E13 mock treatment 0.461 0.051 1.87 0.404 0.0054 0.35 1.5727 0.8248 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E14 mock treatment 0.445 0.035 1.29 0.396 -0.0026 -0.17 0.7912 0.6096 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E15 mock treatment 0.46 0.05 1.84 0.407 0.0084 0.54 1.684 0.8787 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E16 mock treatment 0.464 0.054 1.98 0.4 0.0014 0.09 1.4676 0.7387 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E17 mock treatment 0.486 0.076 2.79 0.402 0.0034 0.22 2.1304 0.7605 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E18 mock treatment 0.442 0.032 1.18 0.411 0.0124 0.8 1.3997 0.9826 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E19 mock treatment 0.457 0.047 1.73 0.394 -0.0046 -0.3 1.0113 0.5769 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E20 mock treatment 0.453 0.043 1.58 0.4 0.0014 0.09 1.182 0.7465 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E21 mock treatment 0.427 0.017 0.63 0.397 -0.0016 -0.1 0.3696 0.5825 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E22 mock treatment 0.395 -0.015 -0.55 0.399 4.04E-4 0.03 -0.3698 -0.6727 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E23 mock treatment 0.391 -0.019 -0.7 0.396 -0.0026 -0.17 -0.611 -0.8533 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base E24 mock treatment 0.394 -0.016 -0.59 0.397 -0.0016 -0.1 -0.4873 -0.8191 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F01 mock treatment 0.4 -0.00995 -0.37 0.405 0.0064 0.41 0.0345 0.0625 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F02 mock treatment 0.405 -0.00495 -0.18 0.411 0.0124 0.8 0.4389 0.5333 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F03 mock treatment 0.406 -0.00395 -0.15 0.411 0.0124 0.8 0.4649 0.5699 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F04 mock treatment 0.424 0.014 0.52 0.404 0.0054 0.35 0.612 0.9821 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F05 mock treatment 0.505 0.095 3.49 0.411 0.0124 0.8 3.0356 0.8476 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F06 mock treatment 0.487 0.077 2.83 0.407 0.0084 0.54 2.3851 0.8279 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F07 mock treatment 0.458 0.048 1.76 0.411 0.0124 0.8 1.8151 0.9364 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F08 mock treatment 0.472 0.062 2.28 0.414 0.0154 1.0 2.3159 0.9312 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F09 mock treatment 0.471 0.061 2.24 0.401 0.0024 0.16 1.6951 0.7544 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F10 mock treatment 0.481 0.071 2.61 0.414 0.0154 1.0 2.5496 0.9129 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F11 mock treatment 0.494 0.084 3.09 0.403 0.0044 0.28 2.3839 0.7691 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F12 mock treatment 0.498 0.088 3.23 0.405 0.0064 0.41 2.5793 0.7913 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F13 mock treatment 0.497 0.087 3.2 0.42 0.0214 1.39 3.2397 0.93 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F14 mock treatment 0.48 0.07 2.57 0.409 0.0104 0.67 2.2949 0.8631 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F15 mock treatment 0.476 0.066 2.43 0.409 0.0104 0.67 2.191 0.8705 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F16 mock treatment 0.5 0.09 3.31 0.41 0.0114 0.74 2.86 0.8441 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F17 mock treatment 0.519 0.109 4.0 0.416 0.0174 1.13 3.6279 0.8721 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F18 mock treatment 0.5 0.09 3.31 0.413 0.0144 0.93 2.9973 0.8724 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F19 mock treatment 0.478 0.068 2.5 0.412 0.0134 0.87 2.3802 0.8999 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F20 mock treatment 0.46 0.05 1.84 0.405 0.0064 0.41 1.5925 0.8453 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F21 mock treatment 0.407 -0.00295 -0.11 0.408 0.0094 0.61 0.3536 0.572 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F22 mock treatment 0.403 -0.00695 -0.26 0.403 0.0044 0.28 0.0209 0.0547 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F23 mock treatment 0.405 -0.00495 -0.18 0.404 0.0054 0.35 0.1186 0.3009 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base F24 mock treatment 0.396 -0.014 -0.51 0.398 -5.96E-4 -0.04 -0.3896 -0.7582 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G01 mock treatment 0.385 -0.025 -0.92 0.395 -0.0036 -0.23 -0.8125 -0.8594 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G02 mock treatment 0.397 -0.013 -0.48 0.397 -0.0016 -0.1 -0.4094 -0.8411 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G03 mock treatment 0.387 -0.023 -0.84 0.39 -0.0086 -0.56 -0.9894 -0.9797 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G04 mock treatment 0.407 -0.00295 -0.11 0.404 0.0054 0.35 0.1705 0.4658 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G05 mock treatment 0.479 0.069 2.54 0.394 -0.0046 -0.3 1.5826 0.6199 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G06 mock treatment 0.435 0.025 0.92 0.399 4.04E-4 0.03 0.6688 0.7269 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G07 mock treatment 0.473 0.063 2.32 0.399 4.04E-4 0.03 1.6555 0.715 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G08 mock treatment 0.449 0.039 1.43 0.412 0.0134 0.87 1.6272 0.971 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G09 mock treatment 0.47 0.06 2.21 0.398 -5.96E-4 -0.04 1.5319 0.6946 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G10 mock treatment 0.466 0.056 2.06 0.4 0.0014 0.09 1.5195 0.7376 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G11 mock treatment 0.5 0.09 3.31 0.397 -0.0016 -0.1 2.2651 0.6847 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G12 mock treatment 0.487 0.077 2.83 0.406 0.0074 0.48 2.3394 0.8152 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G13 mock treatment 0.547 0.137 5.03 0.402 0.0034 0.22 3.7143 0.7373 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G14 mock treatment 0.496 0.086 3.16 0.403 0.0044 0.28 2.4358 0.7678 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G15 mock treatment 0.541 0.131 4.81 0.395 -0.0036 -0.23 3.2382 0.6721 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G16 mock treatment 0.43 0.02 0.74 0.4 0.0014 0.09 0.5847 0.7884 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G17 mock treatment 0.529 0.119 4.37 0.405 0.0064 0.41 3.3842 0.7707 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G18 mock treatment 0.514 0.104 3.82 0.406 0.0074 0.48 3.0405 0.7896 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G19 mock treatment 0.468 0.058 2.13 0.401 0.0024 0.16 1.6172 0.7567 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G20 mock treatment 0.444 0.034 1.25 0.396 -0.0026 -0.17 0.7652 0.6066 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G21 mock treatment 0.394 -0.016 -0.59 0.395 -0.0036 -0.23 -0.5788 -0.9182 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G22 mock treatment 0.393 -0.017 -0.62 0.394 -0.0046 -0.3 -0.6506 -0.9428 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G23 mock treatment 0.39 -0.02 -0.73 0.394 -0.0046 -0.3 -0.7285 -0.9211 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base G24 mock treatment 0.388 -0.022 -0.81 0.398 -5.96E-4 -0.04 -0.5974 -0.7401 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H01 mock treatment 0.396 -0.014 -0.51 0.399 4.04E-4 0.03 -0.3439 -0.6702 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H02 mock treatment 0.39 -0.02 -0.73 0.392 -0.0066 -0.43 -0.82 -0.9669 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H03 mock treatment 0.394 -0.016 -0.59 0.402 0.0034 0.22 -0.2585 -0.413 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H04 mock treatment 0.391 -0.019 -0.7 0.396 -0.0026 -0.17 -0.611 -0.8533 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H05 mock treatment 0.42 0.01 0.37 0.402 0.0034 0.22 0.4166 0.9696 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H06 mock treatment 0.457 0.047 1.73 0.395 -0.0036 -0.23 1.057 0.6064 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H07 mock treatment 0.458 0.048 1.76 0.406 0.0074 0.48 1.5864 0.8677 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H08 mock treatment 0.58 0.17 6.24 0.398 -5.96E-4 -0.04 4.3882 0.7027 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H09 mock treatment 0.502 0.092 3.38 0.404 0.0054 0.35 2.6374 0.7761 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H10 mock treatment 0.519 0.109 4.0 0.395 -0.0036 -0.23 2.667 0.6649 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H11 mock treatment 0.517 0.107 3.93 0.402 0.0034 0.22 2.9353 0.7456 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H12 mock treatment 0.507 0.097 3.56 0.393 -0.0056 -0.36 2.2639 0.632 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H13 mock treatment 0.504 0.094 3.45 0.408 0.0094 0.61 2.8723 0.8191 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H14 mock treatment 0.511 0.101 3.71 0.398 -5.96E-4 -0.04 2.5965 0.6997 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H15 mock treatment 0.497 0.087 3.2 0.4 0.0014 0.09 2.3245 0.7269 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H16 mock treatment 0.457 0.047 1.73 0.397 -0.0016 -0.1 1.1486 0.6636 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H17 mock treatment 0.496 0.086 3.16 0.414 0.0154 1.0 2.9391 0.8871 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H18 mock treatment 0.468 0.058 2.13 0.393 -0.0056 -0.36 1.2512 0.5787 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H19 mock treatment 0.46 0.05 1.84 0.404 0.0054 0.35 1.5468 0.8268 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H20 mock treatment 0.416 0.00605 0.22 0.397 -0.0016 -0.1 0.0839 0.3428 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H21 mock treatment 0.394 -0.016 -0.59 0.398 -5.96E-4 -0.04 -0.4416 -0.7521 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H22 mock treatment 0.4 -0.00995 -0.37 0.396 -0.0026 -0.17 -0.3773 -0.9378 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H23 mock treatment 0.4 -0.00995 -0.37 0.397 -0.0016 -0.1 -0.3315 -0.8728 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base H24 mock treatment 0.402 -0.00795 -0.29 0.4 0.0014 0.09 -0.1423 -0.4652 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I01 mock treatment 0.4 -0.00995 -0.37 0.408 0.0094 0.61 0.1718 0.242 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I02 mock treatment 0.397 -0.013 -0.48 0.409 0.0104 0.67 0.1397 0.1694 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I03 mock treatment 0.403 -0.00695 -0.26 0.408 0.0094 0.61 0.2497 0.3784 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I04 mock treatment 0.403 -0.00695 -0.26 0.401 0.0024 0.16 -0.0706 -0.2361 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I05 mock treatment 0.424 0.014 0.52 0.402 0.0034 0.22 0.5205 0.928 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I06 mock treatment 0.464 0.054 1.98 0.403 0.0044 0.28 1.6049 0.8004 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I07 mock treatment 0.516 0.106 3.89 0.4 0.0014 0.09 2.8179 0.7234 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I08 mock treatment 0.57 0.16 5.88 0.411 0.0124 0.8 4.7234 0.7963 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I09 mock treatment 0.538 0.128 4.7 0.408 0.0094 0.61 3.7552 0.792 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I10 mock treatment 0.489 0.079 2.9 0.408 0.0094 0.61 2.4828 0.8371 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I11 mock treatment 0.475 0.065 2.39 0.405 0.0064 0.41 1.982 0.8176 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I12 mock treatment 0.479 0.069 2.54 0.407 0.0084 0.54 2.1774 0.8397 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I13 mock treatment 0.461 0.051 1.87 0.408 0.0094 0.61 1.7558 0.8909 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I14 mock treatment 0.435 0.025 0.92 0.407 0.0084 0.54 1.0349 0.9686 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I15 mock treatment 0.443 0.033 1.21 0.396 -0.0026 -0.17 0.7393 0.6034 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I16 mock treatment 0.472 0.062 2.28 0.402 0.0034 0.22 1.7669 0.7719 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I17 mock treatment 0.516 0.106 3.89 0.414 0.0154 1.0 3.4585 0.8604 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I18 mock treatment 0.492 0.082 3.01 0.412 0.0134 0.87 2.7438 0.8751 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I19 mock treatment 0.455 0.045 1.65 0.401 0.0024 0.16 1.2797 0.7702 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I20 mock treatment 0.405 -0.00495 -0.18 0.408 0.0094 0.61 0.3016 0.4749 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I21 mock treatment 0.403 -0.00695 -0.26 0.406 0.0074 0.48 0.1582 0.2914 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I22 mock treatment 0.401 -0.00895 -0.33 0.407 0.0084 0.54 0.152 0.2392 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I23 mock treatment 0.399 -0.011 -0.4 0.402 0.0034 0.22 -0.1287 -0.2806 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base I24 mock treatment 0.4 -0.00995 -0.37 0.406 0.0074 0.48 0.0803 0.1332 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J01 mock treatment 0.391 -0.019 -0.7 0.393 -0.0056 -0.36 -0.7483 -0.9537 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J02 mock treatment 0.385 -0.025 -0.92 0.391 -0.0076 -0.49 -0.9956 -0.9574 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J03 mock treatment 0.392 -0.018 -0.66 0.394 -0.0046 -0.3 -0.6765 -0.9353 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J04 mock treatment 0.396 -0.014 -0.51 0.394 -0.0046 -0.3 -0.5727 -0.9665 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J05 mock treatment 0.397 -0.013 -0.48 0.399 4.04E-4 0.03 -0.3179 -0.6673 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J06 mock treatment 0.443 0.033 1.21 0.396 -0.0026 -0.17 0.7393 0.6034 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J07 mock treatment 0.486 0.076 2.79 0.397 -0.0016 -0.1 1.9016 0.6805 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J08 mock treatment 0.469 0.059 2.17 0.398 -5.96E-4 -0.04 1.5059 0.6944 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J09 mock treatment 0.466 0.056 2.06 0.396 -0.0026 -0.17 1.3365 0.6472 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J10 mock treatment 0.467 0.057 2.09 0.394 -0.0046 -0.3 1.271 0.6007 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J11 mock treatment 0.469 0.059 2.17 0.395 -0.0036 -0.23 1.3686 0.6276 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J12 mock treatment 0.478 0.068 2.5 0.393 -0.0056 -0.36 1.5108 0.5984 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J13 mock treatment 0.454 0.044 1.62 0.394 -0.0046 -0.3 0.9334 0.5676 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J14 mock treatment 0.461 0.051 1.87 0.391 -0.0076 -0.49 0.9779 0.5046 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J15 mock treatment 0.478 0.068 2.5 0.396 -0.0026 -0.17 1.6481 0.6581 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J16 mock treatment 0.491 0.081 2.98 0.393 -0.0056 -0.36 1.8484 0.6165 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J17 mock treatment 0.496 0.086 3.16 0.403 0.0044 0.28 2.4358 0.7678 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J18 mock treatment 0.46 0.05 1.84 0.396 -0.0026 -0.17 1.1807 0.6398 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J19 mock treatment 0.439 0.029 1.07 0.401 0.0024 0.16 0.8642 0.8017 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J20 mock treatment 0.398 -0.012 -0.44 0.401 0.0024 0.16 -0.2004 -0.4303 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J21 mock treatment 0.392 -0.018 -0.66 0.395 -0.0036 -0.23 -0.6308 -0.9021 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J22 mock treatment 0.389 -0.021 -0.77 0.392 -0.0066 -0.43 -0.8459 -0.9614 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J23 mock treatment 0.39 -0.02 -0.73 0.393 -0.0056 -0.36 -0.7742 -0.9472 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base J24 mock treatment 0.392 -0.018 -0.66 0.395 -0.0036 -0.23 -0.6308 -0.9021 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K01 mock treatment 0.393 -0.017 -0.62 0.399 4.04E-4 0.03 -0.4218 -0.6768 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K02 mock treatment 0.399 -0.011 -0.4 0.403 0.0044 0.28 -0.0829 -0.1682 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K03 mock treatment 0.396 -0.014 -0.51 0.4 0.0014 0.09 -0.2981 -0.5728 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K04 mock treatment 0.394 -0.016 -0.59 0.397 -0.0016 -0.1 -0.4873 -0.8191 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K05 mock treatment 0.406 -0.00395 -0.15 0.401 0.0024 0.16 0.0073 0.0343 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K06 mock treatment 0.403 -0.00695 -0.26 0.409 0.0104 0.67 0.2955 0.4104 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K07 mock treatment 0.464 0.054 1.98 0.391 -0.0076 -0.49 1.0558 0.5164 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K08 mock treatment 0.49 0.08 2.94 0.403 0.0044 0.28 2.28 0.772 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K09 mock treatment 0.455 0.045 1.65 0.396 -0.0026 -0.17 1.0509 0.632 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K10 mock treatment 0.471 0.061 2.24 0.403 0.0044 0.28 1.7866 0.7906 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K11 mock treatment 0.446 0.036 1.32 0.399 4.04E-4 0.03 0.9544 0.7209 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K12 mock treatment 0.474 0.064 2.35 0.404 0.0054 0.35 1.9103 0.8034 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K13 mock treatment 0.433 0.023 0.85 0.387 -0.0116 -0.75 0.0678 0.0599 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K14 mock treatment 0.411 0.00105 0.04 0.407 0.0084 0.54 0.4117 0.7552 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K15 mock treatment 0.461 0.051 1.87 0.399 4.04E-4 0.03 1.3439 0.7169 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K16 mock treatment 0.446 0.036 1.32 0.407 0.0084 0.54 1.3205 0.9228 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K17 mock treatment 0.46 0.05 1.84 0.399 4.04E-4 0.03 1.318 0.7171 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K18 mock treatment 0.44 0.03 1.1 0.407 0.0084 0.54 1.1647 0.9469 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K19 mock treatment 0.402 -0.00795 -0.29 0.397 -0.0016 -0.1 -0.2796 -0.9024 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K20 mock treatment 0.396 -0.014 -0.51 0.396 -0.0026 -0.17 -0.4811 -0.8922 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K21 mock treatment 0.39 -0.02 -0.73 0.394 -0.0046 -0.3 -0.7285 -0.9211 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K22 mock treatment 0.4 -0.00995 -0.37 0.408 0.0094 0.61 0.1718 0.242 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K23 mock treatment 0.39 -0.02 -0.73 0.397 -0.0016 -0.1 -0.5912 -0.7989 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base K24 mock treatment 0.394 -0.016 -0.59 0.404 0.0054 0.35 -0.167 -0.2448 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L01 mock treatment 0.402 -0.00795 -0.29 0.406 0.0074 0.48 0.1322 0.2357 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L02 mock treatment 0.401 -0.00895 -0.33 0.401 0.0024 0.16 -0.1225 -0.3368 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L03 mock treatment 0.409 -9.54E-4 -0.04 0.404 0.0054 0.35 0.2225 0.6331 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L04 mock treatment 0.4 -0.00995 -0.37 0.397 -0.0016 -0.1 -0.3315 -0.8728 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L05 mock treatment 0.41 4.57E-5 0.0 0.405 0.0064 0.41 0.2942 0.71 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L06 mock treatment 0.395 -0.015 -0.55 0.4 0.0014 0.09 -0.3241 -0.5822 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L07 mock treatment 0.425 0.015 0.55 0.398 -5.96E-4 -0.04 0.3634 0.6561 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L08 mock treatment 0.462 0.052 1.91 0.406 0.0074 0.48 1.6902 0.8578 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L09 mock treatment 0.443 0.033 1.21 0.41 0.0114 0.74 1.3799 0.9716 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L10 mock treatment 0.429 0.019 0.7 0.395 -0.0036 -0.23 0.33 0.4477 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L11 mock treatment 0.441 0.031 1.14 0.409 0.0104 0.67 1.2822 0.9684 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L12 mock treatment 0.444 0.034 1.25 0.393 -0.0056 -0.36 0.628 0.4824 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L13 mock treatment 0.454 0.044 1.62 0.408 0.0094 0.61 1.574 0.9108 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L14 mock treatment 0.439 0.029 1.07 0.399 4.04E-4 0.03 0.7727 0.7242 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L15 mock treatment 0.485 0.075 2.76 0.408 0.0094 0.61 2.379 0.8429 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L16 mock treatment 0.464 0.054 1.98 0.399 4.04E-4 0.03 1.4218 0.7164 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L17 mock treatment 0.447 0.037 1.36 0.411 0.0124 0.8 1.5295 0.9683 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L18 mock treatment 0.42 0.01 0.37 0.398 -5.96E-4 -0.04 0.2336 0.6297 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L19 mock treatment 0.411 0.00105 0.04 0.408 0.0094 0.61 0.4574 0.7502 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L20 mock treatment 0.405 -0.00495 -0.18 0.401 0.0024 0.16 -0.0187 -0.078 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L21 mock treatment 0.395 -0.015 -0.55 0.397 -0.0016 -0.1 -0.4614 -0.8256 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L22 mock treatment 0.397 -0.013 -0.48 0.397 -0.0016 -0.1 -0.4094 -0.8411 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L23 mock treatment 0.407 -0.00295 -0.11 0.408 0.0094 0.61 0.3536 0.572 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base L24 mock treatment 0.391 -0.019 -0.7 0.396 -0.0026 -0.17 -0.611 -0.8533 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M01 mock treatment 0.388 -0.022 -0.81 0.393 -0.0056 -0.36 -0.8262 -0.9348 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M02 mock treatment 0.406 -0.00395 -0.15 0.401 0.0024 0.16 0.0073 0.0343 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M03 mock treatment 0.398 -0.012 -0.44 0.395 -0.0036 -0.23 -0.475 -0.9559 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M04 mock treatment 0.399 -0.011 -0.4 0.405 0.0064 0.41 0.0086 0.0148 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M05 mock treatment 0.406 -0.00395 -0.15 0.406 0.0074 0.48 0.2361 0.4716 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M06 mock treatment 0.409 -9.54E-4 -0.04 0.403 0.0044 0.28 0.1767 0.6155 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M07 mock treatment 0.399 -0.011 -0.4 0.402 0.0034 0.22 -0.1287 -0.2806 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M08 mock treatment 0.411 0.00105 0.04 0.405 0.0064 0.41 0.3202 0.7693 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M09 mock treatment 0.4 -0.00995 -0.37 0.4 0.0014 0.09 -0.1942 -0.5157 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M10 mock treatment 0.404 -0.00595 -0.22 0.401 0.0024 0.16 -0.0446 -0.1663 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M11 mock treatment 0.399 -0.011 -0.4 0.398 -5.96E-4 -0.04 -0.3117 -0.7714 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M12 mock treatment 0.403 -0.00695 -0.26 0.401 0.0024 0.16 -0.0706 -0.2361 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M13 mock treatment 0.396 -0.014 -0.51 0.393 -0.0056 -0.36 -0.6184 -0.9856 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M14 mock treatment 0.402 -0.00795 -0.29 0.402 0.0034 0.22 -0.0508 -0.1389 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M15 mock treatment 0.397 -0.013 -0.48 0.397 -0.0016 -0.1 -0.4094 -0.8411 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M16 mock treatment 0.404 -0.00595 -0.22 0.398 -5.96E-4 -0.04 -0.1819 -0.8192 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M17 mock treatment 0.397 -0.013 -0.48 0.401 0.0024 0.16 -0.2264 -0.4523 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M18 mock treatment 0.4 -0.00995 -0.37 0.409 0.0104 0.67 0.2176 0.284 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M19 mock treatment 0.398 -0.012 -0.44 0.399 4.04E-4 0.03 -0.2919 -0.6639 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M20 mock treatment 0.398 -0.012 -0.44 0.398 -5.96E-4 -0.04 -0.3377 -0.7663 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M21 mock treatment 0.389 -0.021 -0.77 0.393 -0.0056 -0.36 -0.8002 -0.9409 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M22 mock treatment 0.399 -0.011 -0.4 0.401 0.0024 0.16 -0.1745 -0.4045 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M23 mock treatment 0.393 -0.017 -0.62 0.398 -5.96E-4 -0.04 -0.4675 -0.7495 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base M24 mock treatment 0.388 -0.022 -0.81 0.392 -0.0066 -0.43 -0.8719 -0.9558 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N01 mock treatment 0.382 -0.028 -1.03 0.389 -0.0096 -0.62 -1.165 -0.971 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N02 mock treatment 0.391 -0.019 -0.7 0.394 -0.0046 -0.3 -0.7025 -0.9281 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N03 mock treatment 0.404 -0.00595 -0.22 0.4 0.0014 0.09 -0.0904 -0.3817 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N04 mock treatment 0.384 -0.026 -0.95 0.394 -0.0046 -0.3 -0.8843 -0.8857 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N05 mock treatment 0.399 -0.011 -0.4 0.398 -5.96E-4 -0.04 -0.3117 -0.7714 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N06 mock treatment 0.39 -0.02 -0.73 0.393 -0.0056 -0.36 -0.7742 -0.9472 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N07 mock treatment 0.394 -0.016 -0.59 0.397 -0.0016 -0.1 -0.4873 -0.8191 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N08 mock treatment 0.388 -0.022 -0.81 0.388 -0.0106 -0.69 -1.0549 -0.9968 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N09 mock treatment 0.387 -0.023 -0.84 0.39 -0.0086 -0.56 -0.9894 -0.9797 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N10 mock treatment 0.394 -0.016 -0.59 0.397 -0.0016 -0.1 -0.4873 -0.8191 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N11 mock treatment 0.395 -0.015 -0.55 0.399 4.04E-4 0.03 -0.3698 -0.6727 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N12 mock treatment 0.397 -0.013 -0.48 0.4 0.0014 0.09 -0.2721 -0.5619 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N13 mock treatment 0.401 -0.00895 -0.33 0.403 0.0044 0.28 -0.031 -0.0713 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N14 mock treatment 0.397 -0.013 -0.48 0.396 -0.0026 -0.17 -0.4552 -0.9022 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N15 mock treatment 0.398 -0.012 -0.44 0.39 -0.0086 -0.56 -0.7038 -0.9931 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N16 mock treatment 0.396 -0.014 -0.51 0.393 -0.0056 -0.36 -0.6184 -0.9856 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N17 mock treatment 0.402 -0.00795 -0.29 0.4 0.0014 0.09 -0.1423 -0.4652 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N18 mock treatment 0.394 -0.016 -0.59 0.396 -0.0026 -0.17 -0.5331 -0.8746 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N19 mock treatment 0.393 -0.017 -0.62 0.396 -0.0026 -0.17 -0.559 -0.8669 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N20 mock treatment 0.396 -0.014 -0.51 0.396 -0.0026 -0.17 -0.4811 -0.8922 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N21 mock treatment 0.396 -0.014 -0.51 0.397 -0.0016 -0.1 -0.4354 -0.8329 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N22 mock treatment 0.388 -0.022 -0.81 0.39 -0.0086 -0.56 -0.9634 -0.9836 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N23 mock treatment 0.392 -0.018 -0.66 0.397 -0.0016 -0.1 -0.5393 -0.808 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base N24 mock treatment 0.389 -0.021 -0.77 0.391 -0.0076 -0.49 -0.8917 -0.9766 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O01 mock treatment 0.373 -0.037 -1.36 0.392 -0.0066 -0.43 -1.2614 -0.8867 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O02 mock treatment 0.395 -0.015 -0.55 0.406 0.0074 0.48 -0.0495 -0.068 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O03 mock treatment 0.398 -0.012 -0.44 0.396 -0.0026 -0.17 -0.4292 -0.9131 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O04 mock treatment 0.388 -0.022 -0.81 0.4 0.0014 0.09 -0.5058 -0.6235 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O05 mock treatment 0.392 -0.018 -0.66 0.399 4.04E-4 0.03 -0.4477 -0.6786 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O06 mock treatment 0.396 -0.014 -0.51 0.4 0.0014 0.09 -0.2981 -0.5728 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O07 mock treatment 0.377 -0.033 -1.21 0.39 -0.0086 -0.56 -1.2491 -0.9378 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O08 mock treatment 0.4 -0.00995 -0.37 0.405 0.0064 0.41 0.0345 0.0625 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O09 mock treatment 0.392 -0.018 -0.66 0.386 -0.0126 -0.82 -1.0426 -0.9945 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O10 mock treatment 0.393 -0.017 -0.62 0.392 -0.0066 -0.43 -0.7421 -0.983 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O11 mock treatment 0.387 -0.023 -0.84 0.389 -0.0096 -0.62 -1.0352 -0.9887 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O12 mock treatment 0.399 -0.011 -0.4 0.396 -0.0026 -0.17 -0.4032 -0.925 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O13 mock treatment 0.388 -0.022 -0.81 0.39 -0.0086 -0.56 -0.9634 -0.9836 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O14 mock treatment 0.395 -0.015 -0.55 0.397 -0.0016 -0.1 -0.4614 -0.8256 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O15 mock treatment 0.393 -0.017 -0.62 0.397 -0.0016 -0.1 -0.5133 -0.8133 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O16 mock treatment 0.395 -0.015 -0.55 0.389 -0.0096 -0.62 -0.8274 -0.9981 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O17 mock treatment 0.393 -0.017 -0.62 0.393 -0.0056 -0.36 -0.6963 -0.9668 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O18 mock treatment 0.397 -0.013 -0.48 0.402 0.0034 0.22 -0.1806 -0.3446 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O19 mock treatment 0.382 -0.028 -1.03 0.388 -0.0106 -0.69 -1.2107 -0.9808 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O20 mock treatment 0.396 -0.014 -0.51 0.397 -0.0016 -0.1 -0.4354 -0.8329 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O21 mock treatment 0.39 -0.02 -0.73 0.394 -0.0046 -0.3 -0.7285 -0.9211 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O22 mock treatment 0.395 -0.015 -0.55 0.404 0.0054 0.35 -0.141 -0.2167 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O23 mock treatment 0.394 -0.016 -0.59 0.39 -0.0086 -0.56 -0.8076 -0.9997 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base O24 mock treatment 0.393 -0.017 -0.62 0.387 -0.0116 -0.75 -0.9709 -0.9957 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P01 mock treatment 0.382 -0.028 -1.03 0.382 -0.0166 -1.07 -1.4853 -0.9997 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P02 mock treatment 0.383 -0.027 -0.99 0.39 -0.0086 -0.56 -1.0933 -0.9629 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P03 mock treatment 0.392 -0.018 -0.66 0.401 0.0024 0.16 -0.3562 -0.5259 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P04 mock treatment 0.386 -0.024 -0.88 0.394 -0.0046 -0.3 -0.8323 -0.8963 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P05 mock treatment 0.399 -0.011 -0.4 0.4 0.0014 0.09 -0.2202 -0.534 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P06 mock treatment 0.391 -0.019 -0.7 0.396 -0.0026 -0.17 -0.611 -0.8533 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P07 mock treatment 0.389 -0.021 -0.77 0.398 -5.96E-4 -0.04 -0.5714 -0.7416 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P08 mock treatment 0.394 -0.016 -0.59 0.393 -0.0056 -0.36 -0.6704 -0.9733 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P09 mock treatment 0.398 -0.012 -0.44 0.405 0.0064 0.41 -0.0174 -0.0288 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P10 mock treatment 0.388 -0.022 -0.81 0.394 -0.0046 -0.3 -0.7804 -0.9081 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P11 mock treatment 0.392 -0.018 -0.66 0.39 -0.0086 -0.56 -0.8596 -0.9964 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P12 mock treatment 0.386 -0.024 -0.88 0.39 -0.0086 -0.56 -1.0154 -0.9756 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P13 mock treatment 0.393 -0.017 -0.62 0.4 0.0014 0.09 -0.376 -0.5976 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P14 mock treatment 0.393 -0.017 -0.62 0.396 -0.0026 -0.17 -0.559 -0.8669 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P15 mock treatment 0.392 -0.018 -0.66 0.398 -5.96E-4 -0.04 -0.4935 -0.7472 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P16 mock treatment 0.391 -0.019 -0.7 0.394 -0.0046 -0.3 -0.7025 -0.9281 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P17 mock treatment 0.399 -0.011 -0.4 0.404 0.0054 0.35 -0.0372 -0.0698 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P18 mock treatment 0.385 -0.025 -0.92 0.385 -0.0136 -0.88 -1.2701 -0.9998 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P19 mock treatment 0.393 -0.017 -0.62 0.398 -5.96E-4 -0.04 -0.4675 -0.7495 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P20 mock treatment 0.391 -0.019 -0.7 0.393 -0.0056 -0.36 -0.7483 -0.9537 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P21 mock treatment 0.393 -0.017 -0.62 0.397 -0.0016 -0.1 -0.5133 -0.8133 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P22 mock treatment 0.381 -0.029 -1.06 0.393 -0.0056 -0.36 -1.0079 -0.8973 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P23 mock treatment 0.387 -0.023 -0.84 0.393 -0.0056 -0.36 -0.8521 -0.9288 1051.0020 OpticalDensity(1051.0020) HemeDetoxification 1051.0020.Base P24 mock treatment 0.391 -0.019 -0.7 0.39 -0.0086 -0.56 -0.8855 -0.9938