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 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A01 mock treatment -0.044 -0.0454 -1.84 -0.0395 -0.0407 -1.63 -2.4585 -0.9982 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A02 mock treatment -0.0321 -0.0334 -1.36 -0.0365 -0.0377 -1.51 -2.0292 -0.9985 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A03 compound treatment -0.05 -0.0514 -2.09 -0.0315 -0.0327 -1.31 -2.4033 -0.975 3076292 SMP2_000001 C[C@H](CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A04 compound treatment -0.0481 -0.0494 -2.01 -0.0345 -0.0357 -1.43 -2.4312 -0.9864 170 SMP2_000002 CCCCCCCC[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A05 compound treatment -0.0311 -0.0324 -1.32 -0.0305 -0.0317 -1.27 -1.8301 -0.9999 3076293 SMP2_000003 CN(C)CC/C=C/1\c2ccccc2CC(O)c3ccccc13 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A06 compound treatment -0.0331 -0.0344 -1.4 -0.0225 -0.0237 -0.95 -1.6603 -0.9824 2153 SMP2_000004 C[C@@H]1[C@@H](OC(=O)/C=C/C=C/c2ccccc2)[C@@]3(OC4(O[C@@H]3[C@@H]5[C@@H]6O[C@]6(CO)[C@@H](O)[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O4)c8ccccc8)C(=C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A07 compound treatment -0.0531 -0.0544 -2.21 -0.0285 -0.0297 -1.19 -2.4042 -0.9581 3471112 SMP2_000005 CCOC(=O)CCC(=O)OC1C(CC(C)OC1OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)N(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A08 compound treatment 0.017 0.0156 0.63 0.0265 0.0253 1.02 1.1652 0.9741 2199 SMP2_000006 CC(C(C)c1ccc(O)cn1)C(N)C(=O)NC([C@H]2O[C@H]([C@@H](O)[C@H]2O)N3C=CC(=O)CC3=O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A09 compound treatment -0.0191 -0.0204 -0.83 -0.0385 -0.0397 -1.59 -1.7132 -0.9537 698 SMP2_000007 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A10 compound treatment -0.033 -0.0344 -1.4 -0.0335 -0.0347 -1.39 -1.9712 -1.0 3199281 SMP2_000008 CC(=C[C@@H](O)C1=C[C@@H](O)[C@@H]2O[C@@H]2C1=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A11 compound treatment -0.023 -0.0244 -0.99 -0.0235 -0.0247 -0.99 -1.4005 -1.0 1001979 SMP2_000009 NCCC[C@H](N)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A12 compound treatment -0.0381 -0.0394 -1.6 -0.0265 -0.0277 -1.11 -1.9173 -0.9842 3199282 SMP2_000010 C[C@@H]1[C@@H](OC(=O)C)[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(CO)C[C@]4(O)[C@@H](C=C(C)C4=O)[C@]13O)C2(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A13 compound treatment -0.044 -0.0454 -1.84 -0.0375 -0.0387 -1.55 -2.4017 -0.9964 1497 SMP2_000011 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)C2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A14 compound treatment -0.0451 -0.0464 -1.88 -0.0455 -0.0467 -1.87 -2.6576 -1.0 1000212 SMP2_000012 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A15 compound treatment -0.06 -0.0614 -2.49 -0.0485 -0.0497 -2.0 -3.1714 -0.994 3199283 SMP2_000013 COC1/C=C\OC2(C)Oc3c(C2=O)c4c(O)cc(NC(=O)\C(=C/C=C\C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C)c(O)c4c(O)c3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A16 compound treatment -0.0391 -0.0404 -1.64 -0.0375 -0.0387 -1.55 -2.2583 -0.9996 2267 SMP2_000014 CO[C@H]1[C@H](O)C(O)[C@@H](OC1CO)n2c3c(Cl)cccc3c4c5C(=O)NC(=O)c5c6c7cccc(Cl)c7[nH]c6c24 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A17 compound treatment -0.044 -0.0454 -1.84 -0.0315 -0.0327 -1.31 -2.2299 -0.9862 706 SMP2_000015 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A18 compound treatment -0.043 -0.0444 -1.8 -0.0355 -0.0367 -1.47 -2.3162 -0.995 1098997 SMP2_000016 CCC1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A19 compound treatment -0.0411 -0.0424 -1.72 -0.0405 -0.0417 -1.67 -2.4008 -0.9999 1001956 SMP2_000017 CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A20 compound treatment -0.023 -0.0244 -0.99 -0.0085 -0.00972 -0.39 -0.9757 -0.9173 1912779 SMP2_000018 CC(NC(=O)c1ccccc1/N=C/c2c(O)ccc3ccccc23)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A21 compound treatment -0.0401 -0.0414 -1.68 -0.0465 -0.0477 -1.92 -2.5437 -0.9979 230 SMP2_000019 CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A22 compound treatment -0.0391 -0.0404 -1.64 -0.0335 -0.0347 -1.39 -2.1458 -0.9967 464 SMP2_000020 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A23 compound treatment -0.0461 -0.0474 -1.92 -0.0375 -0.0387 -1.55 -2.459 -0.9944 548 SMP2_000021 N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n2cc(I)c3c(N)ncnc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 A24 compound treatment -0.0561 -0.0574 -2.33 -0.0495 -0.0507 -2.04 -3.0877 -0.9978 3199284 SMP2_000022 C/C(=C/CNc1ncnc2[nH]cnc12)/CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B01 mock treatment -0.0041 -0.00546 -0.22 0.0056 0.00433 0.17 -0.0336 -0.1195 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B02 mock treatment 0.009 0.00759 0.31 0.0116 0.0103 0.41 0.511 0.9892 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B03 compound treatment 0.025 0.0236 0.96 0.0255 0.0243 0.98 1.366 1.0 1001866 SMP2_000023 NC(CCCNC(=N)N)C(=O)CC(Cc1ccccc1)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B04 compound treatment 0.006 0.00459 0.19 0.0245 0.0233 0.93 0.7927 0.8316 3076299 SMP2_000024 C[C@@H]1CCOC(=O)/C=C\C=C/C(=O)O[C@@H]2C[C@@H]3OC4C=C(C)CCC4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B05 compound treatment 0.027 0.0256 1.04 0.0415 0.0403 1.62 1.8777 0.977 3199377 SMP2_000025 CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(=C/C[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)/C(=C/C[C@H](O)C[C@H]4O[C@@H](CC=C4)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)/C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H]5C[C@@H](C[C@H](C)O5)OC)/C)C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B06 compound treatment 0.015 0.0136 0.55 0.0215 0.0203 0.81 0.9658 0.9819 3076300 SMP2_000026 CC1(C)C(O)C2(C)CCC1C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B07 compound treatment 0.0029 0.00154 0.06 0.0195 0.0183 0.74 0.5644 0.7644 3199378 SMP2_000027 CC(CO)C1CC(O)C2(C)OC3CC4OC5CC6(C)OC7CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)CC=CC4OC3CC2O1)OC(=O)C=C%11C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B08 compound treatment 0.089 0.0876 3.55 0.0965 0.0953 3.83 5.2177 0.9993 3076301 SMP2_000028 Cn1cc(C[C@@H](N)C(=O)O)c2ccccc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B09 compound treatment 0.1258 0.124 5.04 0.1296 0.128 5.16 7.2129 0.9999 28 SMP2_000029 CNc1ccc2oc(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]4C)nc2c1C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B10 compound treatment 0.032 0.0306 1.24 0.0375 0.0363 1.46 1.9077 0.9968 3199379 SMP2_000030 CC(C)CC(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B11 compound treatment 0.02 0.0186 0.75 0.0255 0.0243 0.98 1.2226 0.9919 2006 SMP2_000031 O[C@H]1C2OC2[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B12 compound treatment 0.071 0.0696 2.82 0.0795 0.0783 3.14 4.2185 0.9986 3076303 SMP2_000032 CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B13 compound treatment 0.022 0.0206 0.83 0.0235 0.0223 0.9 1.2231 0.9993 3076304 SMP2_000033 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C/2\C(=O)Nc3ccc(Cl)cc23)c1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B14 compound treatment 0.0119 0.0105 0.43 0.0305 0.0293 1.18 1.1349 0.9059 1000114 SMP2_000034 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B15 compound treatment 0.0069 0.00554 0.22 0.0215 0.0203 0.82 0.7359 0.8694 277 SMP2_000035 OC[C@H]1O[C@H]([C@H](O)[C@H]1O)n2cnc3cc(Cl)c(Cl)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B16 compound treatment 0.0069 0.00554 0.22 0.0275 0.0263 1.06 0.9063 0.8387 3076306 SMP2_000036 CC(=O)c1ccc(cc1O)N2CCOCC2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B17 compound treatment -0.019 -0.0204 -0.83 5.0E-4 -7.2E-4 -0.03 -0.6057 -0.7314 2095622 SMP2_000037 CC(=CCC/C(=C/CC/C(=C/Cc1c(O)c2ccccc2oc1=O)/C)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B18 compound treatment 0.0139 0.0125 0.51 0.0295 0.0283 1.14 1.1638 0.9342 1670 SMP2_000038 Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B19 compound treatment -0.028 -0.0294 -1.19 -0.0255 -0.0267 -1.07 -1.6018 -0.9986 2090 SMP2_000039 CCOC(=O)C(C#N)C1C(=C(N)Oc2ccc(Br)cc12)C(=O)OCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B20 compound treatment 0.012 0.0106 0.43 0.0225 0.0213 0.86 0.908 0.9486 1096696 SMP2_000040 Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B21 compound treatment 0.012 0.0106 0.43 0.0225 0.0213 0.86 0.908 0.9486 3199380 SMP2_000041 NC1=NC(=O)/C(=C\2/CCNC(=O)c3[nH]c(Br)cc23)/N1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B22 compound treatment 0.005 0.00359 0.15 0.0215 0.0203 0.81 0.6791 0.8205 2137 SMP2_000042 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B23 compound treatment 0.003 0.00159 0.06 0.0355 0.0343 1.38 1.0191 0.7394 3104545 SMP2_000043 CC1CC(C)/C=C(/C)\CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c(Br)[nH]c3ccccc23)C(=O)NC(CC(=O)O1)c4ccc(O)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 B24 compound treatment 0.026 0.0246 1.0 0.0475 0.0463 1.86 2.0194 0.9574 907437 SMP2_000044 CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@@H](N)CCCCN 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C01 mock treatment -0.0011 -0.00246 -0.1 0.0106 0.00933 0.37 0.1944 0.5014 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C02 mock treatment 0.0049 0.00354 0.14 0.0095 0.00832 0.33 0.3378 0.9288 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C03 compound treatment 9.0E-4 -4.6E-4 -0.02 0.0035 0.00232 0.09 0.0527 0.5547 907417 SMP2_000045 COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C04 compound treatment 0.0109 0.00954 0.39 0.0245 0.0233 0.94 0.9358 0.9235 180 SMP2_000046 CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SCC(N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C05 compound treatment 0.0029 0.00154 0.06 0.0245 0.0233 0.94 0.7065 0.7527 3199382 SMP2_000047 C[C@@H]1CCC2[C@H](C[C@]3(C)C(=CCC4[C@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C06 compound treatment -0.054 -0.0554 -2.25 -0.0515 -0.0527 -2.12 -3.0857 -0.9996 3104900 SMP2_000048 C/C(=C\CCC1C=CC(OC1O)C2=CC(=O)OC2O)/CCC3=C(C)CCCC3(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C07 compound treatment -0.2322 -0.234 -9.47 -0.2324 -0.234 -9.38 -13.3324 -1.0 907313 SMP2_000049 Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C42OC(=O)c5ccccc54)c1I 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C08 compound treatment 0.015 0.0136 0.55 0.0185 0.0173 0.7 0.8804 0.9932 3076308 SMP2_000050 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C09 compound treatment 0.0129 0.0115 0.47 0.0135 0.0123 0.49 0.6808 0.9996 1002910 SMP2_000051 OC(C(O)C(=O)O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C10 compound treatment 0.025 0.0236 0.96 0.0175 0.0163 0.65 1.1379 0.983 453 SMP2_000052 COc1cccc(c1N)c2cc(=O)c3ccccc3o2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C11 compound treatment 0.0159 0.0146 0.59 0.0185 0.0173 0.7 0.9091 0.9966 3199383 SMP2_000053 C[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@]45O[C@@H]5C[C@@H](C14)c6ccc(=O)oc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C12 compound treatment 0.0039 0.00254 0.1 0.0145 0.0133 0.53 0.4512 0.8281 3199384 SMP2_000054 CC[C@H]1OC(=O)C[C@@H](O)C[C@@H](OC[C@]2(C)OC(C)[C@@H](O[C@@]3(C)C[C@@](C)(O)[C@@H](O)C(C)O3)[C@H](C2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(=C/C1CO[C@@H]4OC(C)[C@@H](O)[C@H](OC)C4OC)\C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C13 compound treatment 0.0029 0.00154 0.06 0.0066 0.00533 0.21 0.1955 0.8769 3076309 SMP2_000055 C[C@]12CC[C@H](C3CCC(C)(C)OC3)[C@@]2(C)[C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]41C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C14 compound treatment 0.002 6.0E-4 0.02 0.0036 0.00233 0.09 0.0834 0.8624 222 SMP2_000056 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C15 compound treatment 0.0019 5.5E-4 0.02 -5.0E-4 -0.00172 -0.07 -0.0331 -0.4554 3076310 SMP2_000057 CC1(C)CC[C@H](F)[C@@]2(CO[C@@]3(O)[C@H](O)[C@H]12)[C@@H]4CC[C@@H]5[C@@H](O)[C@@]43C(=O)C5=C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C16 compound treatment 0.01 0.00855 0.35 0.0195 0.0183 0.74 0.7654 0.9411 3199385 SMP2_000058 OC[C@@H]1C[C@H](N[C@@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C(O)[C@@H]1O[C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C17 compound treatment 0.0089 0.00755 0.31 0.0165 0.0153 0.62 0.6516 0.9481 1448 SMP2_000059 OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C18 compound treatment 0.019 0.0176 0.71 -0.0025 -0.00372 -0.15 0.3976 0.5468 31 SMP2_000060 CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C19 compound treatment -0.002 -0.0034 -0.14 5.0E-4 -7.2E-4 -0.03 -0.1179 -0.8371 95 SMP2_000061 CCCCCC(O)/C=C/C=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C20 compound treatment -0.148 -0.149 -6.06 -0.132 -0.133 -5.35 -8.0672 -0.9981 2065223 SMP2_000062 CN(C)c1ccc(cc1)C(O)(c2ccccc2)c3ccc(cc3)N(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C21 compound treatment 0.018 0.0166 0.67 0.0126 0.0113 0.46 0.7963 0.9821 3199386 SMP2_000063 CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)/C(=C\C=C/[C@H](O)[C@@H](OC(=O)N)/C(=C\[C@H](C)[C@H]1O)/C)/C)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C22 compound treatment -0.0391 -0.0404 -1.64 -0.0345 -0.0357 -1.43 -2.1731 -0.9977 2041 SMP2_000064 OC(=O)CNC(=O)C(CS)Cc1ccccc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C23 compound treatment -0.0011 -0.00246 -0.1 0.0095 0.00833 0.33 0.1659 0.4755 3076311 SMP2_000065 COc1cc2ccnc3cc[nH]c(c1OC)c23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 C24 compound treatment 0.0079 0.00654 0.27 0.0175 0.0163 0.66 0.651 0.9207 907566 SMP2_000066 C/C(=C\CNc1ncnc2n(cnc12)C3OC(CO)[C@@H](O)[C@H]3O)/CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D01 mock treatment -0.0041 -0.00546 -0.22 0.0015 3.3E-4 0.01 -0.1472 -0.6635 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D02 mock treatment 0.006 0.0046 0.19 0.0125 0.0113 0.45 0.4525 0.923 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D03 compound treatment -0.006 -0.0074 -0.3 0.0036 0.00233 0.09 -0.146 -0.4645 3199387 SMP2_000067 CCC1/C=C(/C)\CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)C(O)CC1=O)/C(=C/C4CCC(O)C(C4)OC)/C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D04 compound treatment 0.018 0.0166 0.67 5.0E-4 -7.2E-4 -0.03 0.4553 0.6761 907555 SMP2_000068 CC1=C[C@H]2O[C@@H]3C[C@@H](O)C(C)(C43CO4)[C@@]2(CO)CC1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D05 compound treatment 0.009 0.00759 0.31 0.0085 0.00729 0.29 0.4247 0.9997 1962 SMP2_000069 CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@H](O[C@@H]1C(=O)O)n2ccc(N)nc2=O)C(=N)N 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D06 compound treatment -0.008 -0.0094 -0.38 0.0015 2.8E-4 0.01 -0.2616 -0.6859 852250 SMP2_000070 C1CCC(NC1)c2cccnc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D07 compound treatment 9.0E-4 -4.6E-4 -0.02 -0.0055 -0.00667 -0.27 -0.2026 -0.7545 3076314 SMP2_000071 O[C@@H]1C=CC(Br)[C@H](O)[C@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D08 compound treatment 0.002 6.0E-4 0.02 0.0136 0.0123 0.5 0.3674 0.741 3076315 SMP2_000072 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(O)nc2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D09 compound treatment -0.0021 -0.00345 -0.14 0.0135 0.0123 0.49 0.2509 0.488 3199389 SMP2_000073 CCCCCCCc1c(C)c(O)cc2c3ccccc3[nH]c12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D10 compound treatment 0.007 0.0056 0.23 0.0115 0.0103 0.41 0.4528 0.9603 3199390 SMP2_000074 COc1ccc(cc1)C(O)(C2CC2)c3cncnc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D11 compound treatment -0.0051 -0.00646 -0.26 0.0056 0.00433 0.17 -0.0623 -0.198 832324 SMP2_000075 COc1cc(OC)c2c(=O)c(C)c(CC[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)/C=C/C=C/C(=C/C)/C)oc2c1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D12 compound treatment 0.043 0.0416 1.69 0.0515 0.0503 2.02 2.6207 0.996 2085117 SMP2_000076 COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D13 compound treatment -0.01 -0.0114 -0.46 0.0116 0.0103 0.41 -0.0335 -0.054 251 SMP2_000077 Nc1ncnc2n(cnc12)C3(CO)OC(=C)C(O)C3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D14 compound treatment -0.044 -0.0454 -1.84 -0.0405 -0.0417 -1.68 -2.4863 -0.9989 2007 SMP2_000078 CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](CC1(C)C)Oc3ccc4CC(NC(=O)c5[nH]cc(CC(=O)Nc6cc7ccc(O[C@@H]8OC(C)(C)[C@H](OC)[C@@H](OC(=O)c9ccc(C)[nH]9)[C@H]8O)c(C)c7oc6=O)c5C)C(=O)Oc4c3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D15 compound treatment -0.005 -0.00645 -0.26 0.0015 3.3E-4 0.01 -0.1756 -0.6704 751 SMP2_000079 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D16 compound treatment 0.047 0.0456 1.85 0.0535 0.0523 2.1 2.7922 0.998 3076316 SMP2_000080 Oc1cc(ccc1C(=O)c2ccccc2)N3CCOCC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D17 compound treatment 0.015 0.0136 0.55 0.0095 0.00833 0.33 0.6251 0.9717 3076317 SMP2_000081 CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(\C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H](C[C@H](C[C@@H](C)C\C(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D18 compound treatment 0.0049 0.00354 0.14 0.0155 0.0143 0.57 0.5073 0.8576 1392 SMP2_000082 CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D19 compound treatment -0.0141 -0.0155 -0.63 -0.0075 -0.00867 -0.35 -0.6895 -0.9615 610 SMP2_000083 O=S(=O)(N1CCCNCC1)c2cccc3cnccc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D20 compound treatment -0.0051 -0.00646 -0.26 0.0205 0.0193 0.77 0.3626 0.4433 3076318 SMP2_000084 Oc1nccc2c(cccc12)S(=O)(=O)N3CCCNCC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D21 compound treatment 0.062 0.0606 2.46 0.0605 0.0593 2.38 3.4211 0.9999 616 SMP2_000085 COc1cc(O)c2c(=O)c(OC)c3CC(C)C(C(=O)C)c4c(OC)c(=O)c5c(O)cc(OC)c6c1c2c3c4c56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D22 compound treatment 0.005 0.0036 0.15 0.0285 0.0273 1.1 0.8779 0.7943 1096695 SMP2_000086 Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D23 compound treatment 0.012 0.0106 0.43 0.0145 0.0133 0.53 0.681 0.9942 3176136 SMP2_000087 C[C@@H]1C2NCC(C)C[C@H]2O[C@@]31CCC4C5CC=C6CC(O)CCC6(C)C5C(=O)C4=C3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 D24 compound treatment 0.026 0.0246 1.0 0.0235 0.0223 0.9 1.337 0.9986 3076319 SMP2_000088 Nc1nc(OCC2CCCCC2)c3[nH]cnc3n1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E01 mock treatment 0.013 0.0116 0.47 0.0135 0.0123 0.49 0.6811 0.9996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E02 mock treatment 0.024 0.0226 0.91 0.0245 0.0233 0.94 1.3089 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E03 compound treatment 0.022 0.0206 0.83 0.0085 0.00732 0.29 0.7972 0.9021 445 SMP2_000089 NC(=O)c1cccc(N)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E04 compound treatment 0.111 0.11 4.44 0.1295 0.128 5.15 6.7856 0.9973 1057045 SMP2_000090 COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E05 compound treatment -0.1892 -0.191 -7.73 -0.1864 -0.188 -7.53 -10.7934 -0.9999 1949 SMP2_000091 NOC(=O)C1=CC(=C(c2ccc(O)c(c2)C(=O)ON)c3ccc(O)c(c3)C(=O)ON)C=CC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E06 compound treatment 0.027 0.0256 1.04 0.0335 0.0323 1.3 1.6505 0.9938 2180 SMP2_000092 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c4ncn(C(C)C)c4n2)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E07 compound treatment 0.102 0.101 4.08 0.1185 0.117 4.71 6.2152 0.9974 1020463 SMP2_000093 Oc1cc2ccc(=O)oc2cc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E08 compound treatment 0.005 0.00355 0.14 0.0265 0.0253 1.02 0.8197 0.7994 3076699 SMP2_000094 CN1CCC[C@H]1CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E09 compound treatment 0.041 0.0396 1.6 0.0475 0.0463 1.86 2.4495 0.9973 1694 SMP2_000095 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E10 compound treatment 0.036 0.0346 1.4 0.0315 0.0303 1.22 1.8518 0.9976 2345 SMP2_000096 Nc1ncnc2n(ccc12)[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E11 compound treatment 0.03 0.0286 1.16 0.0085 0.00733 0.29 1.0268 0.8595 3199487 SMP2_000097 C[C@@H]1CC[C@@]2(C[C@H](C)C3C(=CCC4[C@@]3(C)C[C@@H](O)C5[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]45C)C2[C@H]1C)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E12 compound treatment 0.0069 0.00554 0.22 0.0305 0.0293 1.18 0.9915 0.8271 2240 SMP2_000098 CC(C)C[C@H](NP(=O)(O)OC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E13 compound treatment 0.021 0.0196 0.79 0.0265 0.0253 1.02 1.2796 0.9924 1000145 SMP2_000099 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E14 compound treatment -0.003 -0.0044 -0.18 -0.0035 -0.00471 -0.19 -0.2599 -0.9996 267 SMP2_000100 CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)C=CC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E15 compound treatment 0.0309 0.0296 1.2 0.0395 0.0383 1.54 1.9356 0.9923 1114632 SMP2_000101 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E16 compound treatment -0.012 -0.0134 -0.54 -0.0035 -0.00472 -0.19 -0.5183 -0.9005 1000121 SMP2_000102 C/C(=C\CO)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E17 compound treatment 0.027 0.0256 1.04 0.0145 0.0133 0.53 1.1109 0.9527 1599897 SMP2_000103 O=c1n2CCc3c([nH]c4ccccc34)-c2nc5ccccc15 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E18 compound treatment 0.0199 0.0186 0.75 0.0335 0.0323 1.3 1.4497 0.9664 2354 SMP2_000104 COc1ccc2C3C4[C@H](CC(C)(C)OO[C@H](C=C(C)C)N4c2c1)N5C(=O)[C@@H]6CCCN6C(=O)[C@]5(O)[C@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E19 compound treatment 0.015 0.0136 0.55 0.0255 0.0243 0.98 1.0792 0.963 1001870 SMP2_000105 C/C(=C/C(=O)O)/C=C/[C@@]1(O)C(=CC(=O)CC1(C)C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E20 compound treatment 0.025 0.0236 0.96 0.0265 0.0253 1.02 1.3943 0.9995 296 SMP2_000106 Nc1ncnc2N(=CNc21)C3CCCO3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E21 compound treatment -0.07 -0.0714 -2.9 -0.0735 -0.0747 -3.0 -4.1692 -0.9998 600 SMP2_000107 COC(=O)/C=C/c1cc(O)ccc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E22 compound treatment 0.088 0.0866 3.51 0.0945 0.0933 3.75 5.1322 0.9995 2327 SMP2_000108 CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C(NCC(=O)c4csc(n4)C(NC(=O)c5csc(n5)/C(=C\C)/NC(=O)C(NC(=O)c6csc(n6)C7(CCC(=NC7)c8nc(cs8)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=C)C(C)NC(=O)C(=C)NCC(C)NC1=O)C(C)O)C(C)(O)C(C)O)c9nccs9)C(C)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E23 compound treatment 0.0239 0.0226 0.91 0.0285 0.0273 1.1 1.4225 0.9959 3076759 SMP2_000109 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 E24 compound treatment 0.0369 0.0356 1.44 0.0325 0.0313 1.26 1.9088 0.9977 3199491 SMP2_000110 C/C=C/C1OC2=C(C(=O)C[C@H](C)O2)C(=O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F01 mock treatment -0.0021 -0.00346 -0.14 0.0056 0.00433 0.17 0.0238 0.1064 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F02 mock treatment 0.0 -0.0014 -0.06 0.0095 0.00829 0.33 0.1953 0.5782 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F03 compound treatment 0.006 0.00459 0.19 0.0176 0.0163 0.66 0.5954 0.8733 907179 SMP2_000111 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)/C=C/C=C(\C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F04 compound treatment -0.026 -0.0274 -1.11 -0.0355 -0.0367 -1.47 -1.8285 -0.9903 3076760 SMP2_000112 COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F05 compound treatment 0.0089 0.00754 0.31 0.0295 0.0283 1.14 1.0204 0.8664 328 SMP2_000113 C/C=C(/C)\C=C\1/CN=C2N(CCC2(O)C1=O)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F06 compound treatment 0.001 -4.0E-4 -0.02 0.0036 0.00233 0.09 0.0547 0.5761 3076761 SMP2_000114 CNCC/C=C/1\c2ccccc2CC(O)c3ccccc13 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F07 compound treatment 0.0069 0.00554 0.22 0.0135 0.0123 0.49 0.5087 0.9362 3199493 SMP2_000115 CCC/C=C/C=C/C(=O)O[C@H]1\C(=C\C(=O)OC)\C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@H]3C[C@H](OC(=O)C)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F08 compound treatment 0.0089 0.00755 0.31 0.0135 0.0123 0.49 0.5652 0.9737 1046629 SMP2_000116 Nc1cc2c3ccccc3ccc2c4ccccc14 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F09 compound treatment 0.023 0.0216 0.88 0.0075 0.00629 0.25 0.798 0.8754 1037664 SMP2_000117 CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)nc(O)nc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F10 compound treatment 0.021 0.0196 0.79 0.0275 0.0263 1.06 1.308 0.9902 1943 SMP2_000118 CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@@]4(C)O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F11 compound treatment 0.014 0.0126 0.51 0.0065 0.00528 0.21 0.511 0.9242 3199494 SMP2_000119 CC[C@@H]1C[C@@]1(NC(=O)C2=C[C@H](CC)C[C@H]3[C@@H]2CCC3=O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F12 compound treatment -0.1342 -0.136 -5.5 -0.1134 -0.115 -4.6 -7.1433 -0.9961 1320 SMP2_000120 C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC=C5C=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F13 compound treatment 0.102 0.101 4.08 0.1055 0.104 4.19 5.846 0.9999 745 SMP2_000121 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F14 compound treatment 0.05 0.0486 1.97 0.0445 0.0433 1.74 2.623 0.998 2008 SMP2_000122 CC1=C(SCCO)C(=O)c2ccccc2C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F15 compound treatment 0.023 0.0216 0.87 0.0126 0.0113 0.46 0.9397 0.9537 3199495 SMP2_000123 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(=O)(O)[O-] 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F16 compound treatment -0.01 -0.0114 -0.46 5.0E-4 -7.2E-4 -0.03 -0.3473 -0.7498 3076763 SMP2_000124 Oc1ccc2c(Oc3cc(O)ccc3C42OC(=O)c5ccc(Nc6nc(Cl)nc(Cl)n6)cc54)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F17 compound treatment 0.021 0.0196 0.79 0.0165 0.0153 0.61 0.9948 0.992 1433 SMP2_000125 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F18 compound treatment 0.023 0.0216 0.87 0.0265 0.0253 1.02 1.3359 0.9972 1100216 SMP2_000126 CC(=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C3CCC4(C)C3C(O)CC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)C(C)(C)C6CCC54C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F19 compound treatment 0.0059 0.00454 0.18 0.0285 0.0273 1.1 0.906 0.8144 3000453 SMP2_000127 C[C@@H]1CC2OC(=O)C(=C)C2[C@H](O)[C@@]3(C)[C@H]1C=CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F20 compound treatment 0.021 0.0196 0.79 0.0265 0.0253 1.02 1.2796 0.9924 3060680 SMP2_000128 Oc1ccccc1N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-] 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F21 compound treatment 0.07 0.0686 2.78 0.0745 0.0733 2.94 4.0481 0.9996 1907753 SMP2_000129 CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4CCC(=O)C5=C(O)[C@H](CCCNC(=O)/C=C\C[C@@H]4[C@H]3C=C[C@@H]12)NC5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F22 compound treatment 0.025 0.0236 0.96 0.0175 0.0163 0.65 1.1393 0.9828 1001972 SMP2_000130 CCCC[C@@H](C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@@H]3O[C@@H]3C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F23 compound treatment 0.002 6.0E-4 0.02 0.0325 0.0313 1.26 0.9055 0.7207 3076765 SMP2_000131 CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 F24 compound treatment 0.036 0.0346 1.4 0.0265 0.0253 1.02 1.7086 0.9875 288 SMP2_000132 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G01 mock treatment -1.0E-4 -0.00146 -0.06 -0.0065 -0.00772 -0.31 -0.2611 -0.8272 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G02 mock treatment 0.014 0.0126 0.51 0.0086 0.00733 0.29 0.568 0.9661 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G03 compound treatment 9.0E-4 -4.6E-4 -0.02 0.0015 3.2E-4 0.01 -0.0041 -0.1803 2407 SMP2_000133 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G04 compound treatment -0.029 -0.0304 -1.23 -0.0205 -0.0217 -0.87 -1.4885 -0.9856 907364 SMP2_000134 CCC(C(=O)NC/C=C\C=C(\C)/C(OC)C(C)C1OC(\C=C/C=C\C=C(\C)/C(=O)c2c(O)cc[nH]c2=O)C(O)C1O)C3(O)OC(\C=C/C=C\C)C(C)(C)C(O)C3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G05 compound treatment 0.027 0.0256 1.04 0.0215 0.0203 0.82 1.3097 0.993 1978 SMP2_000135 OC(=O)/C=C/c1ccc(O)c(O)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G06 compound treatment 0.0019 5.5E-4 0.02 0.0026 0.00133 0.05 0.0536 0.925 3076766 SMP2_000136 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)[N+](C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G07 compound treatment -0.009 -0.0104 -0.42 -0.0085 -0.00971 -0.39 -0.5739 -0.9992 1117 SMP2_000137 Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G08 compound treatment 0.012 0.0106 0.43 0.0235 0.0223 0.9 0.9364 0.9427 313 SMP2_000138 CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G09 compound treatment 0.022 0.0206 0.83 0.0195 0.0183 0.74 1.1095 0.9981 3076819 SMP2_000139 COCC(=O)c1ncn-2c1[C@@H]3CCNC3C(=O)c4cc(OC)ccc42 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G10 compound treatment 0.022 0.0206 0.83 0.0295 0.0283 1.14 1.3936 0.9883 3199591 SMP2_000140 CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)CCCCCCCCC)COC(=O)Cc5ccc(O)c(OC)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G11 compound treatment 0.005 0.00355 0.14 0.0155 0.0143 0.58 0.5085 0.8577 939 SMP2_000141 Cc1cccc(Nc2ccccc2C(=O)O)c1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G12 compound treatment 0.0319 0.0306 1.24 0.0315 0.0303 1.22 1.7371 1.0 3076821 SMP2_000142 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G13 compound treatment -0.019 -0.0204 -0.83 0.0135 0.0123 0.49 -0.2365 -0.2455 1012954 SMP2_000143 OC(Cc1ccncc1)C(Cl)(Cl)Cl 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G14 compound treatment -0.0091 -0.0105 -0.42 -5.0E-4 -0.00172 -0.07 -0.3488 -0.8115 4637 SMP2_000144 C[C@@H]1C[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G15 compound treatment 0.009 0.0076 0.31 0.0055 0.00428 0.17 0.3395 0.962 942 SMP2_000145 OC(=O)c1ccccc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G16 compound treatment -0.005 -0.00641 -0.26 0.0085 0.00732 0.29 0.0241 0.0614 3199592 SMP2_000146 CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1\C=C\C(=C\C(=O)O)\C)OC(=O)CCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G17 compound treatment 0.02 0.0186 0.75 0.0395 0.0383 1.54 1.6204 0.9463 1011013 SMP2_000147 Nc1ccc2nc3ccc(N)cc3[s+]c2c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G18 compound treatment 0.001 -4.0E-4 -0.02 0.0175 0.0163 0.66 0.452 0.6894 3076824 SMP2_000148 NC(=O)OCC1N=C(N)N2CCC(O)(O)C32NC(=NC13)N 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G19 compound treatment 0.0089 0.00754 0.31 0.0285 0.0273 1.1 0.992 0.871 3199593 SMP2_000149 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G20 compound treatment 0.013 0.0116 0.47 -5.0E-4 -0.00167 -0.07 0.2838 0.5997 3185114 SMP2_000150 CC[C@]1(C=CCN2CC[C@]3([C@H]4N(C)c5cc(OC)ccc53)[C@@H]21)[C@@H](OC(=O)C)[C@]4(O)C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G21 compound treatment 0.0089 0.00755 0.31 0.0215 0.0203 0.82 0.7936 0.9104 3199594 SMP2_000151 C[C@@H]1[C@@H](O)[C@]2(O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G22 compound treatment 0.0049 0.00354 0.14 0.0225 0.0213 0.85 0.7058 0.8145 3076825 SMP2_000152 NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G23 compound treatment -0.0031 -0.00446 -0.18 0.0065 0.00532 0.21 0.0232 0.0829 1095351 SMP2_000153 COC1=C(Br)C(O)C(O)(CC#N)C=C1Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 G24 compound treatment 0.03 0.0286 1.16 0.0275 0.0263 1.06 1.5664 0.9989 3 SMP2_000154 Oc1ccc(/C=C(\C#N)/C(=O)NCc2ccccc2)cc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H01 mock treatment -0.0021 -0.00346 -0.14 0.0046 0.00333 0.13 -0.0046 -0.0239 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H02 mock treatment 0.021 0.0196 0.79 -0.0015 -0.00272 -0.11 0.4848 0.6043 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H03 compound treatment -0.002 -0.0034 -0.14 -0.0075 -0.00872 -0.35 -0.3451 -0.917 3199595 SMP2_000155 CCC(C)C(NC(=O)C1CC(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NCC(=O)NC(CC(=O)N)C(=O)N1)C(=O)NC(Cc5ccccc5)C(=O)NCC(=O)NC(Cc6c[nH]cn6)C(=O)NC(Cc7ccc(O)cc7)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc8ccccc8)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H04 compound treatment 0.006 0.00459 0.19 0.0105 0.00933 0.37 0.3965 0.9479 1303231 SMP2_000156 CN(C)CC(O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H05 compound treatment 0.0129 0.0115 0.47 0.0146 0.0133 0.54 0.7095 0.9978 3076826 SMP2_000157 Nc1ccccc1NC(=O)CCCCCCC(=O)Nc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H06 compound treatment -0.005 -0.0064 -0.26 -0.0065 -0.00768 -0.31 -0.4016 -0.9963 3076827 SMP2_000158 OC[C@H]1CC2CCN1CC2C=C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H07 compound treatment 0.006 0.00455 0.18 0.0056 0.00433 0.17 0.2535 0.9996 3199596 SMP2_000159 OC(=O)c1cc(/C=C/c2ccc(/C=C/c3ccc(O)c(c3)C(=O)O)c(Br)c2)ccc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H08 compound treatment 0.035 0.0336 1.36 0.0385 0.0373 1.5 2.022 0.9989 1088673 SMP2_000160 CC(C)C1NC(=O)C(NC(=O)c2cc(N)c(C)c3oc4c(C)c(=O)c(N)c(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4nc23)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H09 compound treatment 9.0E-4 -4.6E-4 -0.02 0.0066 0.00533 0.21 0.1382 0.6431 3069011 SMP2_000161 NCCC(=O)NCCc1c[nH]cn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H10 compound treatment 0.026 0.0246 1.0 0.0136 0.0123 0.5 1.0541 0.948 1025 SMP2_000162 CC(C)CC(=O)OC1C(O[C@@H]2C[C@H]([C@H]3CC[C@]4(C[C@@H]5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H11 compound treatment -0.0121 -0.0134 -0.55 6.0E-4 -6.7E-4 -0.03 -0.4047 -0.7411 1018447 SMP2_000163 Oc1ccc2c(c1)oc3c2c(=O)oc4cc(O)ccc34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H12 compound treatment 0.058 0.0566 2.29 0.0635 0.0623 2.5 3.3916 0.9991 1000068 SMP2_000164 CC1=C(N2[C@H](SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H13 compound treatment -0.013 -0.0144 -0.59 0.0085 0.00732 0.29 -0.2064 -0.3149 526 SMP2_000165 C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]2O[C@H]2[C@H](O)C=C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H14 compound treatment 0.0089 0.00755 0.31 0.0215 0.0203 0.82 0.7936 0.9104 460 SMP2_000166 CCC1NC(=O)C([C@H](O)[C@H](C)C/C=C/C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H15 compound treatment 9.0E-4 -4.6E-4 -0.02 0.0035 0.00233 0.09 0.053 0.5553 907301 SMP2_000167 CCC(C)C(O)C(C)C(=O)C(C)/C=C(\C)/CC(C)C1OC(=O)C1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H16 compound treatment 0.0029 0.00154 0.06 0.0116 0.0103 0.41 0.3375 0.8045 3076266 SMP2_000168 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H17 compound treatment 9.0E-4 -4.6E-4 -0.02 0.0135 0.0123 0.49 0.3358 0.6799 1001938 SMP2_000169 COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](OC3OC(COC(C)(C)C=C)[C@H](O)C(OC(=O)C)[C@@H]3O)C4=C(CC(O)[C@]4(C)C=C12)C(C)COC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H18 compound treatment 0.057 0.0556 2.25 0.0655 0.0643 2.58 3.4196 0.9977 829 SMP2_000170 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H19 compound treatment -0.0131 -0.0144 -0.59 0.0116 0.0103 0.41 -0.121 -0.1685 2334 SMP2_000171 C/C(=C\1/C(=O)NC(Cc2ccccc2)C1=O)/Nc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H20 compound treatment 0.0069 0.00554 0.22 0.0135 0.0123 0.49 0.5087 0.9362 2109 SMP2_000172 OCc1c[nH]c2ccccc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H21 compound treatment 0.0049 0.00354 0.14 0.0136 0.0123 0.5 0.4517 0.876 2106 SMP2_000173 COC1=CC(=O)C(=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H22 compound treatment 0.085 0.0836 3.39 0.0895 0.0883 3.55 4.9042 0.9997 1260 SMP2_000174 N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H23 compound treatment 0.0159 0.0146 0.59 0.0095 0.00829 0.33 0.6527 0.9633 3076270 SMP2_000175 C[C@]12C=Cc3occc3C2CC[C@]4(C[C@H]5CCC41)C[C@]5(O)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 H24 compound treatment 0.0049 0.00354 0.14 0.0325 0.0313 1.26 0.9899 0.7829 3199601 SMP2_000176 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I01 mock treatment 0.0019 5.38E-4 0.02 0.0125 0.0113 0.45 0.3369 0.7402 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I02 mock treatment 0.0159 0.0146 0.59 0.0046 0.00333 0.13 0.5118 0.8459 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I03 compound treatment 0.008 0.00655 0.27 0.0175 0.0163 0.66 0.6513 0.9209 3076271 SMP2_000177 OC(=O)/C=C/c1c[nH]c2ccccc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I04 compound treatment -0.031 -0.0324 -1.31 -0.0315 -0.0327 -1.31 -1.8582 -1.0 3199602 SMP2_000178 C/C(=C\CCC1=CC(=O)OC1O)/CC/C=C(\C)/CCC2=C(C)CCCC2(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I05 compound treatment 0.052 0.0506 2.05 0.0495 0.0483 1.94 2.822 0.9996 1135 SMP2_000179 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I06 compound treatment -0.001 -0.0024 -0.1 -0.0055 -0.00667 -0.27 -0.2582 -0.9061 252 SMP2_000180 CCCCCCOC(=O)[C@]1(O)C[C@H]2O[C@@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I07 compound treatment 0.017 0.0156 0.63 0.0035 0.00228 0.09 0.5121 0.8011 3076272 SMP2_000181 COC(=O)C1=CO[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H]3[C@@H]1CC=C3CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I08 compound treatment 0.0019 5.4E-4 0.02 0.0085 0.00732 0.29 0.2234 0.7577 3199603 SMP2_000182 CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I09 compound treatment 9.0E-4 -4.6E-4 -0.02 0.0095 0.00832 0.33 0.2231 0.6666 2129 SMP2_000183 OCC(O)C1OC(=O)C(=C1O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I10 compound treatment 0.03 0.0286 1.16 0.0315 0.0303 1.22 1.6797 0.9997 3199692 SMP2_000184 CCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)CCCCCCCC)COC(=O)Cc5ccc(O)c(OC)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I11 compound treatment 0.037 0.0356 1.44 0.0365 0.0353 1.42 2.0227 1.0 1865 SMP2_000185 Clc1cccc(Nc2nnc(c3ccccc3)c4ccccc24)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I12 mock treatment 0.003 0.0016 0.06 -0.0124 -0.0137 -0.55 -0.3423 -0.6192 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I13 compound treatment -0.002 -0.0034 -0.14 0.0125 0.0113 0.45 0.2228 0.4706 3472730 SMP2_000186 CC12CCC3C(CC=C4CC(O)CCC34C)C2CCC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I14 compound treatment -0.0131 -0.0145 -0.59 0.0105 0.00928 0.37 -0.1511 -0.2175 3076274 SMP2_000187 Oc1ccc(cc1)C2COc3cc(O)ccc3C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I15 compound treatment -0.048 -0.0494 -2.0 -0.0495 -0.0507 -2.04 -2.8566 -1.0 2288 SMP2_000188 CC(=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I16 compound treatment 0.003 0.0016 0.06 0.0046 0.00333 0.13 0.1405 0.9449 3199693 SMP2_000189 COC(C(C)C1CC(O)C2(C)OC2/C=C\C(C)C3CC(CC(=O)O3)CC4OC4C(=O)O1)C(=CC=CC(=Cc5coc(C)n5)C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I17 compound treatment 0.001 -4.5E-4 -0.02 0.0275 0.0263 1.06 0.7345 0.6948 1025605 SMP2_000190 OCCN(CCO)CCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I18 compound treatment -0.014 -0.0154 -0.62 0.0175 0.0163 0.66 0.0216 0.0238 3060146 SMP2_000191 Oc1ccc(cc1)c2nc(c([nH]2)c3ccc(F)cc3)c4ccncc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I19 compound treatment 0.004 0.0026 0.11 -0.0155 -0.0167 -0.67 -0.3991 -0.5885 1874 SMP2_000192 Oc1cccc2c(O)nccc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I20 compound treatment 0.011 0.0096 0.39 0.0215 0.0203 0.82 0.8523 0.9427 1080610 SMP2_000193 COc1ccc(O)c2c(=O)c3c(OC)cc4OC5OC=CC5c4c3oc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I21 compound treatment 0.037 0.0356 1.44 0.0665 0.0653 2.62 2.8743 0.9605 2290 SMP2_000194 C[C@]1(CC(N)CCC(N)C(=O)O)O[C@](C)([C@@H](O)[C@H]1O)n2cnc3c(N)ncnc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I22 compound treatment 0.039 0.0376 1.52 0.0255 0.0243 0.98 1.7674 0.9767 3076167 SMP2_000195 CC(C)C1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)/C=C(/C)\C=C/CNC(=O)\C=C/C1C)n3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I23 compound treatment 0.029 0.0276 1.12 0.0355 0.0343 1.38 1.7649 0.9947 1077786 SMP2_000196 CC(C)CC1N2C(=O)C(NC(=O)C3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(OC2(O)C7CCCN7C1=O)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 I24 compound treatment 0.0069 0.00554 0.22 0.0325 0.0313 1.26 1.0483 0.8204 325 SMP2_000197 N/C(=C(/C#N)\C(=C(/N)\Sc1ccccc1N)\C#N)/Sc2ccccc2N 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J01 mock treatment -0.0081 -0.00946 -0.38 -0.0065 -0.00767 -0.31 -0.4891 -0.9941 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J02 mock treatment 0.006 0.00459 0.19 -0.0165 -0.0177 -0.71 -0.3716 -0.5051 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J03 compound treatment -0.022 -0.0234 -0.95 -0.0045 -0.00572 -0.23 -0.8334 -0.8536 3076170 SMP2_000198 OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J04 compound treatment 0.0029 0.00154 0.06 0.0045 0.00333 0.13 0.1386 0.9401 677 SMP2_000199 C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J05 compound treatment 0.0059 0.00454 0.18 0.0055 0.00433 0.17 0.2531 0.9996 2060246 SMP2_000200 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CCC12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J06 compound treatment -0.0071 -0.00846 -0.34 -0.0125 -0.0137 -0.55 -0.631 -0.9743 414 SMP2_000201 CC1CNCCN1S(=O)(=O)c2cccc3cnccc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J07 compound treatment -0.02 -0.0214 -0.87 0.0015 3.3E-4 0.01 -0.6056 -0.6962 1972 SMP2_000202 COC(=O)/C(=C\Nc1ccc(Oc2ccccc2OC(C)C)nc1)/NC(=O)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J08 compound treatment 0.057 0.0556 2.25 0.0685 0.0673 2.7 3.5046 0.9959 3189311 SMP2_000203 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J09 compound treatment -0.3492 -0.351 -14.22 -0.3354 -0.337 -13.52 -19.6126 -0.9997 2109607 SMP2_000204 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J10 compound treatment 0.008 0.00659 0.27 -0.0775 -0.0787 -3.16 -2.0462 -0.645 1960 SMP2_000205 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J11 compound treatment 0.0039 0.00254 0.1 0.0106 0.00933 0.37 0.3377 0.8692 3199694 SMP2_000206 CC1[C@H]2NC[C@@H](C)C[C@H]2O[C@@]31CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC4=C3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J12 compound treatment 0.042 0.0406 1.65 0.0455 0.0443 1.78 2.4217 0.9993 874122 SMP2_000207 COc1c(O)c2c(=O)cc3OCOc4cc(O)c5c(=O)c(OC)c(CC(C)O)c6c(c1CC(C)O)c2c3c4c56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J13 compound treatment -0.0081 -0.00946 -0.38 -0.0255 -0.0267 -1.07 -1.0289 -0.9041 1301 SMP2_000208 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J14 compound treatment 0.0049 0.00354 0.14 -0.0215 -0.0227 -0.91 -0.5436 -0.5885 1001900 SMP2_000209 Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J15 compound treatment 0.023 0.0216 0.88 0.0375 0.0363 1.46 1.6497 0.9703 2056 SMP2_000210 CC(C)CC(NC(=O)NC(C1CCNC(=N1)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C=O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J16 compound treatment -0.0041 -0.00546 -0.22 0.0076 0.00633 0.25 0.0232 0.0688 599 SMP2_000211 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J17 compound treatment 0.006 0.0046 0.19 0.0255 0.0243 0.98 0.8214 0.8274 162 SMP2_000212 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J18 compound treatment 0.013 0.0116 0.47 0.0165 0.0153 0.62 0.7663 0.991 3076285 SMP2_000213 CN1C(=O)/C(=C/2\Nc3ccccc3\C2=N\O)/c4ccc(Br)cc14 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J19 compound treatment -0.0041 -0.00546 -0.22 0.0046 0.00333 0.13 -0.062 -0.2396 3199695 SMP2_000214 CC1O[C@@H](O[C@H]2C[C@@H](C=O)C3C(CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)c6ccc(=O)oc6)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]7OC(CO)[C@@H](O)[C@@H](O)[C@H]7O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J20 compound treatment 0.0029 0.00154 0.06 0.0225 0.0213 0.86 0.6496 0.7567 3076287 SMP2_000215 COc1cc(O)c(CC=C(C)C)c2OC(CC(=O)c12)c3ccc(O)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J21 compound treatment 0.018 0.0166 0.67 0.0285 0.0273 1.1 1.2504 0.9726 2411 SMP2_000216 NCC1O[C@@H](O[C@@H]2[C@H](N)C[C@@H](N)C(O[C@H]3OC(CO)[C@@H](O)[C@@H](N)[C@H]3O)C2O)[C@H](N)C[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J22 compound treatment 0.001 -4.0E-4 -0.02 0.0255 0.0243 0.98 0.6783 0.6953 3199697 SMP2_000217 CCC(=O)O[C@H]1C(C)O[C@](C)(C[C@]1(C)O)O[C@@H]2C(C)O[C@@H](CO[C@@H]3[C@@H](C)[C@@H](CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@@H]3CC(=O)C)OC(=O)CC)[C@H](O)[C@@H]2N(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J23 compound treatment -0.036 -0.0374 -1.52 -0.0235 -0.0247 -0.99 -1.7744 -0.9789 3076290 SMP2_000218 C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)/C=C(/C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=C2C4=C3)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 J24 compound treatment 0.03 0.0286 1.16 0.0375 0.0363 1.46 1.8504 0.9936 3199698 SMP2_000219 CC(NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2(C)OC3OC(CO)C(O)C(O)(C3O)C(=O)N)c4cnc[nH]4)C(O)C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)c6nc(cs6)C(=O)N 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K01 mock treatment -0.0061 -0.00746 -0.3 0.0095 0.00828 0.33 0.0212 0.0472 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K02 mock treatment -0.0021 -0.00346 -0.14 -4.0E-4 -0.00167 -0.07 -0.1467 -0.9428 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K03 compound treatment -1.0E-4 -0.00146 -0.06 0.0075 0.00632 0.25 0.1376 0.528 3076443 SMP2_000220 CC(C)CCC[C@@H](C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K04 compound treatment 0.0129 0.0115 0.47 0.0155 0.0143 0.58 0.7376 0.9948 25 SMP2_000221 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K05 compound treatment 0.012 0.0106 0.43 0.0085 0.00732 0.29 0.5118 0.9828 3076448 SMP2_000222 CCC1=CC2C[C@@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@]31C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K06 compound treatment 0.023 0.0216 0.87 0.0085 0.00732 0.29 0.8258 0.8957 309 SMP2_000223 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K07 compound treatment 0.019 0.0176 0.71 -0.0045 -0.00567 -0.23 0.3437 0.4588 1000097 SMP2_000224 Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K08 compound treatment 0.041 0.0396 1.61 0.0395 0.0383 1.54 2.2226 0.9998 2113458 SMP2_000225 CCC(=O)NCCc1c2scnc2c3nccc4c5ccccc5[nH]c1c43 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K09 compound treatment 0.0049 0.00354 0.14 0.0036 0.00233 0.09 0.1677 0.9785 3076491 SMP2_000226 CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC(=O)C(=C1O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K10 compound treatment 0.021 0.0196 0.79 0.0215 0.0203 0.82 1.1377 0.9999 3184 SMP2_000227 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)/C[C@H]12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K11 compound treatment -0.033 -0.0344 -1.4 -0.0605 -0.0617 -2.48 -2.7391 -0.963 1313 SMP2_000228 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-] 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K12 compound treatment 0.008 0.0066 0.27 0.0075 0.00632 0.25 0.3687 0.9996 3199699 SMP2_000229 CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(O)ccc4[nH]3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K13 compound treatment -0.004 -0.0054 -0.22 -0.0215 -0.0227 -0.91 -0.7989 -0.8528 2709 SMP2_000230 Cc1ncc(CO)c(CO)c1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K14 compound treatment 0.001 -4.0E-4 -0.02 0.0195 0.0183 0.74 0.5088 0.6914 3076498 SMP2_000231 CC1CC2OC2/C=C\C=C/C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K15 compound treatment -0.002 -0.0034 -0.14 0.0135 0.0123 0.49 0.2512 0.4906 3076544 SMP2_000232 CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K16 compound treatment 0.0099 0.00854 0.35 0.0285 0.0273 1.1 1.0207 0.8872 633 SMP2_000233 OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3ccccc3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K17 compound treatment 0.005 0.0036 0.15 0.0015 3.3E-4 0.01 0.1126 0.7682 3199700 SMP2_000234 CC1OC2OC3[C@@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@@]45CCC(C)(C)C[C@H]5C6=CC[C@@H]7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9OC(CO)[C@@H](O)[C@H](O)C9O[C@@H]%10OC[C@@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1C(O[C@@H]%11OC[C@@H](O)[C@H](O)C%11O)[C@@H]2O)C(O)C%10O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K18 compound treatment 0.088 0.0866 3.51 0.1165 0.115 4.63 5.7567 0.9907 3076548 SMP2_000235 NC1N=CC(=N1)[C@H]2[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c4cc(Br)c[nH]4)[C@@H]2C5=NC(N)N=C5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K19 compound treatment 0.0019 5.4E-4 0.02 0.0056 0.00433 0.17 0.1385 0.79 3076550 SMP2_000236 CCCCC[C@H](O)[C@H](SCC(N)C(=O)O)/C=C/C=C/C=C\C/C=C\CCCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K20 compound treatment 0.084 0.0826 3.35 0.0945 0.0933 3.75 5.0175 0.9984 3199701 SMP2_000237 CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C\C(=C/C[C@@H](O)C[C@@H]3CCC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)/C=C\C(=C/C[C@@H](O)C[C@@H]4CCC[C@@H](CC(OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)O4)\C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]5C[C@@H](C[C@H](C)O5)OC)O3)\C)C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K21 compound treatment 0.0059 0.00454 0.18 0.0215 0.0203 0.82 0.7072 0.8454 3076553 SMP2_000238 CC(C)CCC[C@@H](C)[C@H]1C[C@H](O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K22 compound treatment 0.011 0.00955 0.39 0.0305 0.0293 1.18 1.1065 0.8927 2329 SMP2_000239 C[C@@H]1C[C@@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]5C=C(COC(=O)Cc6ccc(O)cc6)C[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O3)C(=C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K23 compound treatment 0.0129 0.0115 0.47 0.0245 0.0233 0.94 0.9932 0.9486 1000035 SMP2_000240 O=C1c2ccccc2-c3n[nH]c4cccc1c34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 K24 compound treatment 0.022 0.0206 0.83 0.0175 0.0163 0.66 1.0527 0.9929 1100080 SMP2_000241 OCC1OC(C(O)C1O)n2cccnc2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L01 mock treatment 0.0029 0.00154 0.06 -0.0085 -0.00968 -0.39 -0.2307 -0.586 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L02 mock treatment 0.01 0.00859 0.35 0.0116 0.0103 0.41 0.5397 0.9962 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L03 compound treatment 0.0948 0.0934 3.79 0.1116 0.11 4.43 5.8131 0.9969 155 SMP2_000242 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L04 compound treatment 0.0089 0.00755 0.31 0.0086 0.00733 0.29 0.4247 0.9998 410 SMP2_000243 CC(=N)NCc1cccc(CN)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L05 compound treatment 0.0059 0.00454 0.18 -0.0014 -0.00267 -0.11 0.0543 0.2551 1000029 SMP2_000244 CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C4CCC(=O)N4)C(C)C)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L06 compound treatment -1.0E-4 -0.00146 -0.06 0.0195 0.0183 0.74 0.4784 0.6481 3199703 SMP2_000245 CCC1OC2(C[C@@H]3CC(C/C=C(/C)\C(O[C@@H]4C[C@@H](C)C(O[C@H]5C[C@H](OC)C(O)[C@H](C)O5)[C@H](C4)OC)C(C)\C=C/C=C\6/COC7C6[C@@H](C=C(C)[C@H]7O)C(=O)O3)O2)C=CC1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L07 compound treatment 0.0049 0.00354 0.14 0.0015 3.3E-4 0.01 0.1109 0.7691 3076615 SMP2_000246 COC1/C=C\C=C(\C)/Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)C(C)C)C3(C)OC3C(C)C4CC1(O)NC(=O)O4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L08 compound treatment -0.006 -0.00745 -0.3 0.0076 0.00633 0.25 -0.0339 -0.0857 3199793 SMP2_000247 CCN1C[C@]2(COC)CCC(OC)[C@]3(C4C[C@@]5(O)[C@H](OC(=O)c6ccc(OC)cc6)C4[C@](C[C@H]5OC)(OC(=O)C)[C@H]7[C@H](OC)C32)[C@@H]71 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L09 compound treatment -0.1882 -0.19 -7.69 -0.1664 -0.168 -6.73 -10.1971 -0.9978 1983 SMP2_000248 CC(C)c1cc2C3CC4C(C)(C)CCCC4(C(=O)O3)c2c(O)c1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L10 compound treatment 0.027 0.0256 1.04 0.0116 0.0103 0.41 1.0275 0.919 3199794 SMP2_000249 C[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@]45O[C@@H]5[C@H](OC(=O)C)[C@@H](C14)c6ccc(=O)oc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L11 compound treatment 0.018 0.0166 0.67 0.0116 0.0103 0.41 0.7679 0.9733 3199795 SMP2_000250 CC1C2C(Cc3ccccc3)NC(=O)C24C(/C=C\CC(C)CC(C)(O)/C=C\C4O)C(O)C1=C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L12 compound treatment 0.015 0.0136 0.55 0.0105 0.00933 0.37 0.6534 0.9825 964 SMP2_000251 CN(C)N=Nc1[nH]cnc1C(=O)N 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L13 compound treatment 0.021 0.0196 0.79 0.0305 0.0293 1.18 1.3932 0.9815 3076672 SMP2_000252 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)C(O)C1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L14 compound treatment -0.003 -0.00441 -0.18 0.0105 0.00932 0.37 0.1382 0.3332 1001931 SMP2_000253 C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L15 compound treatment 0.0029 0.00154 0.06 0.0225 0.0213 0.86 0.6496 0.7567 831956 SMP2_000254 COc1c(O)ccc2c1cc([N+](=O)[O-])c3c(cc4OCOc4c23)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L16 compound treatment 0.0079 0.00654 0.27 0.0126 0.0113 0.46 0.5092 0.967 604 SMP2_000255 Oc1c(Br)cc(/C=C\2/C3C=C(I)C=CC3NC2=O)cc1Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L17 compound treatment 0.033 0.0316 1.28 0.0205 0.0193 0.78 1.4534 0.9713 3199797 SMP2_000256 C[C@@]1([C@H]2[C@H](C(=O)O)[C@]3(CC4CC[C@H]3[C@@]52CC[C@@H]1O)CC4=C)C(=O)O5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L18 compound treatment 0.0149 0.0135 0.55 0.0355 0.0343 1.38 1.3629 0.9186 604 SMP2_000257 Oc1c(Br)cc(/C=C\2/C3C=C(I)C=CC3NC2=O)cc1Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L19 compound treatment 0.018 0.0166 0.67 0.0176 0.0163 0.66 0.9383 0.9999 97 SMP2_000258 CCCCC/C=C\C[C@@H]1O[C@H]1\C=C\C(O)C/C=C\CCCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L20 compound treatment 0.025 0.0236 0.96 0.0165 0.0153 0.62 1.1107 0.9774 3199798 SMP2_000259 CC1CC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L21 compound treatment 0.0239 0.0226 0.91 0.0175 0.0163 0.65 1.1092 0.9865 2108 SMP2_000260 COc1cc2C/C(=C\c3cc(C)c(O)c(C)c3)/C(=O)c2c(N)c1OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L22 compound treatment 0.027 0.0256 1.04 0.0415 0.0403 1.62 1.8779 0.977 440 SMP2_000261 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L23 compound treatment 0.027 0.0256 1.04 0.0315 0.0303 1.22 1.5937 0.9968 1201 SMP2_000262 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 L24 compound treatment 0.022 0.0206 0.84 0.0275 0.0263 1.06 1.337 0.9933 648 SMP2_000263 Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M01 mock treatment 0.009 0.0076 0.31 0.0135 0.0123 0.49 0.5667 0.9744 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M02 mock treatment 0.011 0.0096 0.39 0.0245 0.0233 0.93 0.9364 0.9246 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M03 compound treatment 0.014 0.0126 0.51 -0.0015 -0.00272 -0.11 0.2841 0.5437 549 SMP2_000264 Nc1ncnc2nc(cc(c3cccc(Br)c3)c12)c4ccc(nc4)N5CCOCC5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M04 compound treatment 0.014 0.0126 0.51 0.0095 0.00828 0.33 0.5965 0.9783 1092656 SMP2_000265 CC1OC(CC(=O)O)CC2=C1C(=O)c3c(O)cccc3C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M05 compound treatment 0.076 0.0746 3.03 0.0765 0.0753 3.02 4.2769 1.0 1000067 SMP2_000266 NC(C(=O)NC1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M06 compound treatment -0.059 -0.0604 -2.45 -0.0785 -0.0797 -3.2 -3.9958 -0.9913 535 SMP2_000267 ONC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M07 compound treatment 0.011 0.0096 0.39 0.0095 0.00828 0.33 0.5104 0.9969 3177114 SMP2_000268 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M08 compound treatment 0.051 0.0496 2.01 0.0435 0.0423 1.7 2.623 0.9964 241 SMP2_000269 CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)NCC(N)CS 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M09 compound treatment 0.025 0.0236 0.96 0.0205 0.0193 0.77 1.2228 0.9946 3076808 SMP2_000270 CC1(C)[C@H]2C[C@@H]1C(=C)[C@H](O)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M10 compound treatment 0.094 0.0926 3.75 0.1075 0.106 4.27 5.6731 0.998 220 SMP2_000271 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M11 compound treatment -0.056 -0.0574 -2.33 -0.0475 -0.0487 -1.96 -3.0295 -0.9963 1579 SMP2_000272 CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M12 compound treatment 0.01 0.00855 0.35 0.0285 0.0273 1.1 1.021 0.8873 284 SMP2_000273 OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3cc(O)ccc3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M13 compound treatment -0.001 -0.0024 -0.1 0.0025 0.00128 0.05 -0.0325 -0.2949 3076815 SMP2_000274 CC(O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M14 compound treatment -0.1712 -0.173 -7.0 -0.1814 -0.183 -7.33 -10.1355 -0.9997 1102317 SMP2_000275 COc1ccc(cc1)C23Oc4cc(OC)cc(OC)c4C3(O)C(O)C(C2c5ccccc5)C(=O)N(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M15 compound treatment -0.002 -0.0034 -0.14 0.0135 0.0123 0.49 0.2512 0.4906 1907751 SMP2_000276 CN/C(=N\c1ccc(cc1)C2=NNC(=O)CC2C)/NC#N 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M16 compound treatment 0.001 -4.0E-4 -0.02 0.0125 0.0113 0.45 0.3089 0.6814 536 SMP2_000277 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M17 compound treatment 0.034 0.0326 1.32 0.0215 0.0203 0.81 1.5107 0.9729 3076873 SMP2_000278 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M18 compound treatment 0.036 0.0346 1.4 0.0445 0.0433 1.74 2.221 0.9942 536 SMP2_000279 ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M19 compound treatment 0.023 0.0216 0.87 0.0335 0.0323 1.3 1.5346 0.9816 3199800 SMP2_000280 CC(C)CCC[C@@H](C)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M20 compound treatment 0.018 0.0166 0.67 0.0056 0.00433 0.17 0.5976 0.8619 3199801 SMP2_000281 CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)C1O[C@]2(CC[C@@H](C)C(CC[C@H](C)C(=O)C)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C3=C(C)C(=O)OC3=O)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M21 compound treatment 0.0199 0.0186 0.75 0.0295 0.0283 1.14 1.3362 0.9799 257 SMP2_000282 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M22 compound treatment 0.028 0.0266 1.08 0.0445 0.0433 1.74 1.9918 0.9737 3076883 SMP2_000283 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M23 compound treatment 0.0089 0.00754 0.31 0.0245 0.0233 0.94 0.8785 0.8917 2059 SMP2_000284 CC(C)CC(N)C(O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 M24 compound treatment 0.008 0.00655 0.27 0.0125 0.0113 0.45 0.5093 0.9673 2350 SMP2_000285 Cc1c(C)c2OC(C)(CN3CCN(CC3)c4cc(nc(n4)N5CCCC5)N6CCCC6)CCc2c(C)c1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N01 mock treatment -0.0111 -0.0125 -0.51 -0.0195 -0.0207 -0.83 -0.9445 -0.9716 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N02 mock treatment -0.007 -0.00845 -0.34 -0.0185 -0.0197 -0.79 -0.8011 -0.93 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N03 compound treatment -0.0261 -0.0274 -1.11 -0.0045 -0.00567 -0.23 -0.9481 -0.8345 3076955 SMP2_000286 CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)CC23C(=O)O[C@@H]4OC(=O)[C@H](O)C413 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N04 compound treatment -0.077 -0.0784 -3.18 -0.0815 -0.0827 -3.32 -4.5971 -0.9998 907302 SMP2_000287 CN1CC[C@]2(C)C1N(C)c3ccc(O)cc32 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N05 compound treatment 9.0E-4 -4.6E-4 -0.02 -0.0075 -0.00867 -0.35 -0.2594 -0.7439 3199802 SMP2_000288 CSC(=S)NCc1c[nH]c2ccccc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N06 compound treatment 0.0019 5.4E-4 0.02 -0.0065 -0.00767 -0.31 -0.2023 -0.6551 398 SMP2_000289 OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N07 compound treatment -0.0021 -0.00346 -0.14 -0.0055 -0.00667 -0.27 -0.2886 -0.9545 1975 SMP2_000290 C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)CC[C@@H]1c5ccc(=O)oc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N08 compound treatment 0.0089 0.00754 0.31 -0.0155 -0.0167 -0.67 -0.2574 -0.3496 1026746 SMP2_000291 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N09 compound treatment 0.01 0.0086 0.35 0.0125 0.0113 0.45 0.5669 0.9917 810 SMP2_000292 CCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N10 compound treatment 0.022 0.0206 0.84 0.0215 0.0203 0.82 1.1678 0.9999 3176068 SMP2_000293 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N11 compound treatment -0.015 -0.0164 -0.67 -0.0065 -0.00768 -0.31 -0.6898 -0.9386 2018 SMP2_000294 NC1=NC(=O)/C(=C/2\CCNC(=O)c3[nH]ccc23)/N1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N12 compound treatment 0.0049 0.00354 0.14 0.0155 0.0143 0.58 0.5082 0.8574 1090 SMP2_000295 CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N13 compound treatment 0.0049 0.00354 0.14 0.0105 0.00932 0.37 0.3662 0.9134 3199804 SMP2_000296 CC(C)CC(NC(=O)C(Cc1ccc(OP(O)(O)O)cc1)NC(=O)C2CCCN2C(=O)C)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N14 compound treatment 0.037 0.0356 1.44 0.0375 0.0363 1.46 2.0511 1.0 1000674 SMP2_000297 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N15 compound treatment 0.032 0.0306 1.24 0.0145 0.0133 0.53 1.2549 0.929 1084811 SMP2_000298 Cc1c2[nH]c3ccc(O)cc3c2c(C)c4cnccc14 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N16 compound treatment 0.01 0.0086 0.35 0.0295 0.0283 1.14 1.0497 0.8835 3077040 SMP2_000299 CC(C)[C@H]1CN2CCC[C@H]2[C@@]3(O)O[C@](CC(=O)[C@H]4CN(C)[C@@H]5Cc6c[nH]c7cccc(C5=C4)c67)(C(C)C)C(=O)N13 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N17 compound treatment 0.097 0.0956 3.88 0.0995 0.0983 3.95 5.5321 1.0 1108916 SMP2_000300 NCCCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N18 compound treatment -0.01 -0.0114 -0.46 0.0175 0.0163 0.66 0.1366 0.1703 3177114 SMP2_000301 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N19 compound treatment 0.0049 0.00354 0.14 0.0075 0.00633 0.25 0.2812 0.9635 3076041 SMP2_000302 COc1cc(/C=C/c2cccc[n+]2C)ccc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N20 compound treatment 0.019 0.0176 0.71 0.0075 0.00629 0.25 0.683 0.9026 1734 SMP2_000303 Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N21 compound treatment 0.015 0.0136 0.55 0.0275 0.0263 1.06 1.1371 0.9539 3076048 SMP2_000304 OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N22 compound treatment -0.0021 -0.00346 -0.14 0.0035 0.00229 0.09 -0.0341 -0.2034 1000089 SMP2_000305 COC1C(C)OC(OC2CC(C)(O)C(C(=O)OC)c3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N23 compound treatment 9.0E-4 -4.58E-4 -0.02 0.0135 0.0123 0.49 0.3367 0.6801 628 SMP2_000306 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc34)c2c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 N24 compound treatment 0.022 0.0206 0.83 0.0255 0.0243 0.98 1.2799 0.9969 1273 SMP2_000307 C[C@@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O01 mock treatment 0.0069 0.00555 0.23 0.0015 3.3E-4 0.01 0.1685 0.7475 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O02 mock treatment 0.007 0.0056 0.23 0.0175 0.0163 0.65 0.6229 0.9 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O03 compound treatment -0.006 -0.0074 -0.3 0.0055 0.00428 0.17 -0.0906 -0.2621 1059696 SMP2_000308 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O04 compound treatment 0.015 0.0136 0.55 0.0125 0.0113 0.45 0.7089 0.9954 988 SMP2_000309 COc1ccc2[nH]cc(CCNC(=O)C)c2c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O05 compound treatment 0.0 -0.0014 -0.06 -0.0015 -0.00272 -0.11 -0.1174 -0.9535 413 SMP2_000310 CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O06 compound treatment -0.012 -0.0134 -0.54 -0.0035 -0.00472 -0.19 -0.5183 -0.9005 3199805 SMP2_000311 NC(=O)OC[C@H]1[C@@H]2NC(=N)N[C@]23N(CCC3(O)O)C(=N)N1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O07 compound treatment -0.006 -0.0074 -0.3 -0.0085 -0.00972 -0.39 -0.4882 -0.9916 2081802 SMP2_000312 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O08 compound treatment 0.0069 0.00555 0.23 0.0195 0.0183 0.73 0.6783 0.8833 1080649 SMP2_000313 CC1(CC2(O)OC3O1)C4(CC2C34COC(=O)c5ccccc5)OC6OC(CO)C(O)C(O)C6O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O09 compound treatment 0.015 0.0136 0.55 0.0085 0.00728 0.29 0.5967 0.9559 3076119 SMP2_000314 CNc1ccc2ccccc2c1N=Nc3ccc(N=Nc4ccccc4)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O10 compound treatment 0.01 0.00855 0.35 0.0075 0.00632 0.25 0.4247 0.9882 1072985 SMP2_000315 CC1C(O)C2(O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O11 compound treatment 0.004 0.0026 0.11 5.0E-4 -7.2E-4 -0.03 0.0541 0.4951 3076122 SMP2_000316 CC(=C[C@H](C=C)C(C)(C)O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O12 compound treatment -0.018 -0.0194 -0.79 0.0115 0.0103 0.41 -0.2647 -0.2978 3001166 SMP2_000317 C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(\C)/CC/C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O13 compound treatment 0.0449 0.0436 1.77 0.0265 0.0253 1.02 1.9679 0.9656 189 SMP2_000318 CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O14 compound treatment 0.015 0.0136 0.55 0.0115 0.0103 0.41 0.6819 0.9898 3199895 SMP2_000319 CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C3CCCN3C(=O)C(CC(=O)N)NC(=O)C4CCCN4C(=O)C(N)CCCCN)C(=O)N 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O15 compound treatment 0.017 0.0156 0.63 0.0115 0.0103 0.41 0.7393 0.9786 2305 SMP2_000320 COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O16 compound treatment 0.017 0.0156 0.63 0.0165 0.0153 0.61 0.8798 0.9999 3076126 SMP2_000321 Nc1ncnc2n([C@@H]3OC4COP(O)(S)O[C@@H]4C3O)c(nc12)N5CCCCC5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O17 compound treatment 0.017 0.0156 0.63 0.0026 0.00133 0.05 0.4837 0.7643 2080871 SMP2_000322 CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O18 compound treatment 0.013 0.0116 0.47 0.0175 0.0163 0.66 0.7947 0.9864 3076175 SMP2_000323 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O19 compound treatment 0.0029 0.00154 0.06 0.0225 0.0213 0.86 0.6496 0.7567 3199896 SMP2_000324 CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O20 compound treatment 0.017 0.0156 0.63 6.0E-4 -6.7E-4 -0.03 0.427 0.6763 3076177 SMP2_000325 COc1cc(ccc1O)c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OS(=O)(=O)O)cc3o2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O21 compound treatment 0.078 0.0766 3.11 0.1025 0.101 4.07 5.0723 0.9911 2119025 SMP2_000326 Nc1nc(S)c2nc[nH]c2n1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O22 compound treatment 0.0129 0.0115 0.47 0.0345 0.0333 1.34 1.2771 0.9009 2081802 SMP2_000327 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O23 compound treatment 9.0E-4 -4.6E-4 -0.02 0.0265 0.0253 1.02 0.7058 0.694 316 SMP2_000328 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 O24 compound treatment 0.0019 5.38E-4 0.02 0.0205 0.0193 0.78 0.5641 0.7267 1004963 SMP2_000329 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P01 mock treatment -0.028 -0.0294 -1.19 -0.0335 -0.0347 -1.39 -1.829 -0.997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P02 mock treatment -0.0131 -0.0144 -0.59 -0.0135 -0.0147 -0.59 -0.8312 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P03 compound treatment -0.0101 -0.0115 -0.46 -0.0255 -0.0267 -1.07 -1.0862 -0.9301 3199897 SMP2_000330 CS[C@]12CC3=CC=CC(O)[C@H]3N2C(=O)[C@@](CO)(SC)N(C)C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P04 compound treatment -0.017 -0.0184 -0.75 -0.0185 -0.0197 -0.79 -1.0879 -0.9996 2060488 SMP2_000331 CC(=CCC[C@@](C)(O)C=C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P05 compound treatment -0.024 -0.0254 -1.03 -0.0145 -0.0157 -0.63 -1.1759 -0.9721 1968 SMP2_000332 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)[C@@H](O)C[C@@H](CC(=C)C=O)OC%11CC%10OC9C=CC[C@]8(C)OC7CC6OC15 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P06 compound treatment -0.021 -0.0224 -0.91 -0.0095 -0.0107 -0.43 -0.948 -0.9414 1000053 SMP2_000333 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P07 compound treatment -0.022 -0.0234 -0.95 -0.0275 -0.0287 -1.15 -1.4854 -0.9954 1977 SMP2_000334 CC12CCc3occc3[C@H]2CCC4(CC5CC[C@H]41)C[C@]5(O)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P08 compound treatment -1.0E-4 -0.00146 -0.06 -0.0115 -0.0127 -0.51 -0.4016 -0.7841 1693 SMP2_000335 NCCCNCCSP(=O)(O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P09 compound treatment -0.0121 -0.0134 -0.55 -0.0075 -0.00867 -0.35 -0.6319 -0.9765 3199899 SMP2_000336 CC[C@@H]1[C@H](O)[C@@H](C)C/C(=C\C=C/C(=C(\OC(=O)\C(=C/C(=C\[C@H](C)C1O)/C)\OC)/[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC3CC(O)C(OC(=O)N)C(C)O3)[C@H](C)[C@H](O2)/C=C/C)/OC)/C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P10 compound treatment -0.015 -0.0164 -0.67 -0.0024 -0.00367 -0.15 -0.5745 -0.8433 446 SMP2_000337 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P11 compound treatment -0.014 -0.0154 -0.62 -0.0075 -0.00872 -0.35 -0.6892 -0.9626 360 SMP2_000338 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P12 compound treatment 0.073 0.0716 2.9 0.0665 0.0653 2.62 3.9067 0.9987 3068886 SMP2_000339 CC(C)/N=c/1\cc2n(c3ccc(Cl)cc3)c4ccccc4nc2cc1Nc5ccc(Cl)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P13 compound treatment -0.033 -0.0344 -1.4 -0.0125 -0.0137 -0.55 -1.3763 -0.9168 1817 SMP2_000340 CC(=O)O[C@@]12CO[C@H]2C[C@@H](O)[C@@]3(C)[C@H]1[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@H](O)C3=O)C5(C)C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P14 compound treatment -0.01 -0.0114 -0.46 -0.0035 -0.00467 -0.19 -0.4609 -0.9205 3076236 SMP2_000341 COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P15 compound treatment 9.0E-4 -4.6E-4 -0.02 -0.0115 -0.0127 -0.51 -0.3732 -0.7325 832320 SMP2_000342 CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C)C(=O)N[C@@H](C(=O)C)C(=O)N[C@@H](CC(C)C)[C@@]1(O)O[C@H](C)[C@H](N[C@@]1(C)CO)C=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P16 compound treatment -0.006 -0.00745 -0.3 -0.0065 -0.00767 -0.31 -0.4314 -1.0 2069 SMP2_000343 CC12CCC3C(CCC4=C(O)C(=O)CCC34C)C2CCC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P17 compound treatment -0.008 -0.0094 -0.38 0.0105 0.00929 0.37 -0.0057 -0.0107 3199902 SMP2_000344 CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(N)CO)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NC(Cc4ccccc4)C(=O)NCC(=O)NC(Cc5ccccc5)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P18 compound treatment -1.0E-4 -0.00146 -0.06 -0.0135 -0.0147 -0.59 -0.4587 -0.7742 2100 SMP2_000345 COC(=O)CC(O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P19 compound treatment -0.0021 -0.00345 -0.14 -0.0014 -0.00267 -0.11 -0.1747 -0.9914 613 SMP2_000346 Oc1cc(/C=C/c2ccc(O)c(O)c2)oc(=O)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P20 compound treatment -1.0E-4 -0.00146 -0.06 0.0056 0.00433 0.17 0.0811 0.4416 3076242 SMP2_000347 CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]4CC[C@@](C)([C@@H](OC5OC(CO)C(O)C(O)C5O)c6ccoc6)[C@@]7(O[C@@H]7C(=O)O)[C@]4(C)C(=O)C[C@]13C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P21 compound treatment 0.0039 0.00254 0.1 -5.0E-4 -0.00168 -0.07 0.0251 0.2042 3199903 SMP2_000348 C/C=C(/C)\C(=O)O[C@H]1C(=C[C@]2([C@H](C)C[C@H]3[C@@H](C3(C)C)[C@]4(C)C=C(CO)[C@@H](O)[C@@]12O)C4=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P22 compound treatment 0.0 -0.0014 -0.06 0.0075 0.00629 0.25 0.1385 0.5349 1048361 SMP2_000349 c1ccc2c(c1)[nH]c3cnccc32 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P23 compound treatment 0.002 6.0E-4 0.02 -0.0125 -0.0137 -0.55 -0.3724 -0.6752 832145 SMP2_000350 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H]2NC(=O)C(=O)N21 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2099 P24 compound treatment 0.033 0.0316 1.28 0.0605 0.0593 2.38 2.5895 0.9578 2260 SMP2_000351 Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(CO)c8c1c2c(c34)c(c65)c78 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A01 compound treatment -0.07 -0.0701 -2.84 -0.0735 -0.073 -2.93 -4.0837 -0.9999 3220649 PK04_107001 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A02 compound treatment -0.029 -0.0291 -1.18 -0.0405 -0.04 -1.61 -1.9713 -0.9885 3188507 PK04_107002 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(o3)c4ccc(Cl)c(Cl)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A03 compound treatment -0.061 -0.0611 -2.48 -0.0425 -0.042 -1.69 -2.9453 -0.9826 3220651 PK04_107003 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4cncn4C)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A04 compound treatment -0.063 -0.0631 -2.56 -0.0485 -0.048 -1.93 -3.1734 -0.9902 3070126 PK04_107004 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A05 compound treatment -0.054 -0.0541 -2.19 -0.0455 -0.045 -1.81 -2.8289 -0.9954 3220653 PK04_107005 CCCCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A06 compound treatment -0.058 -0.0581 -2.36 -0.0515 -0.051 -2.05 -3.1152 -0.9976 3070127 PK04_107006 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A07 compound treatment -0.077 -0.0771 -3.13 -0.0475 -0.047 -1.89 -3.5461 -0.9709 3220655 PK04_107007 CCOC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A08 compound treatment -0.05 -0.0501 -2.03 -0.0445 -0.044 -1.77 -2.6871 -0.9976 3070128 PK04_107008 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3CO[Si](C(C)C)(C(C)C)c31 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A09 compound treatment -0.04 -0.0401 -1.63 -0.0565 -0.056 -2.25 -2.7411 -0.9873 3220657 PK04_107009 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)c3ccccn3)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A10 compound treatment -0.042 -0.0421 -1.71 -0.0475 -0.047 -1.89 -2.5428 -0.9987 3070129 PK04_107010 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C3CC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A11 compound treatment -0.048 -0.0481 -1.95 -0.0475 -0.047 -1.89 -2.7148 -0.9999 3220659 PK04_107011 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)C3(O)CCCCC3)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A12 compound treatment -0.04 -0.0401 -1.63 -0.0415 -0.041 -1.65 -2.3151 -1.0 3188513 PK04_107012 CCCCCCc1nc(CCCc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCCCCC)n2)cc4CO[Si](C(C)C)(C(C)C)c41 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A13 mock treatment -0.051 -0.0511 -2.07 -0.0515 -0.051 -2.05 -2.9144 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A14 mock treatment -0.052 -0.0521 -2.11 -0.0565 -0.056 -2.25 -3.0852 -0.9995 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A15 compound treatment -0.061 -0.0611 -2.48 -0.0555 -0.055 -2.21 -3.3136 -0.9984 3220661 PK04_107013 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A16 compound treatment -0.037 -0.0371 -1.5 -0.0405 -0.04 -1.61 -2.2003 -0.9994 3188514 PK04_107014 CCCCCCc1nc(c2ccc(o2)c3ccc(Cl)c(Cl)c3)c(C)c4CO[Si](C(C)C)(C(C)C)c41 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A17 compound treatment -0.061 -0.0611 -2.48 -0.0475 -0.047 -1.89 -3.0876 -0.991 3220663 PK04_107015 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)c3ccccc3C)C(C)C)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A18 compound treatment -0.054 -0.0541 -2.19 -0.0465 -0.046 -1.85 -2.8585 -0.9963 3070178 PK04_107016 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A19 compound treatment -0.056 -0.0561 -2.28 -0.0525 -0.052 -2.09 -3.0862 -0.9991 3220665 PK04_107017 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(Cc3ccccc3)nn2)C(C)C)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A20 compound treatment -0.058 -0.0581 -2.36 -0.0475 -0.047 -1.89 -3.0016 -0.994 3070179 PK04_107018 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A21 compound treatment -0.075 -0.0751 -3.04 -0.0835 -0.083 -3.33 -4.5102 -0.999 3220667 PK04_107019 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)C3(O)CCCCC3)C(C)C)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A22 compound treatment -0.058 -0.0581 -2.36 -0.0575 -0.057 -2.29 -3.2864 -0.9999 3070180 PK04_107020 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A23 compound treatment -0.081 -0.0811 -3.29 -0.0815 -0.081 -3.25 -4.6263 -1.0 3220669 PK04_107021 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)c3cncn3C)C(C)C)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 A24 compound treatment -0.06 -0.0601 -2.44 -0.0645 -0.064 -2.57 -3.5425 -0.9996 3070181 PK04_107022 CCCCCCc1nc(C2CC2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B01 compound treatment -0.043 -0.0431 -1.75 -0.0095 -0.00906 -0.36 -1.4938 -0.8364 3188518 PK04_107023 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B02 compound treatment -0.01 -0.0101 -0.41 -0.0025 -0.00206 -0.08 -0.3487 -0.8331 3188519 PK04_107024 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B03 compound treatment 0.0029 0.00284 0.12 0.0025 0.00294 0.12 0.1649 0.9999 3070182 PK04_107025 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B04 compound treatment -0.009 -0.00912 -0.37 0.0075 0.00794 0.32 -0.0361 -0.0739 3188520 PK04_107026 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B05 compound treatment 0.0109 0.0108 0.44 0.0245 0.025 1.0 1.0205 0.9314 3188521 PK04_107027 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B06 compound treatment 9.0E-4 8.42E-4 0.03 0.0065 0.00691 0.28 0.2203 0.7882 3070183 PK04_107028 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B07 compound treatment -0.0091 -0.00916 -0.37 0.0055 0.00593 0.24 -0.0941 -0.2132 3188640 PK04_107029 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B08 compound treatment 0.016 0.0159 0.64 0.0185 0.019 0.76 0.9946 0.9965 3188641 PK04_107030 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B09 compound treatment 0.0149 0.0148 0.6 0.0135 0.0139 0.56 0.8205 0.9993 3070184 PK04_107031 COc1ccc(CC(=O)N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B10 compound treatment 0.013 0.0129 0.52 0.0155 0.0159 0.64 0.8211 0.995 3188642 PK04_107032 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B11 compound treatment 0.01 0.00988 0.4 0.0144 0.0149 0.6 0.7067 0.981 3070185 PK04_107033 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B12 compound treatment 0.0069 0.00685 0.28 0.0105 0.0109 0.44 0.5069 0.9755 3188643 PK04_107034 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B13 mock treatment 0.0119 0.0118 0.48 0.0105 0.011 0.44 0.6515 0.9991 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B14 mock treatment -1.0E-4 -1.58E-4 -0.01 0.0185 0.019 0.76 0.5347 0.7012 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B15 compound treatment -0.0011 -0.00116 -0.05 0.0065 0.00694 0.28 0.1638 0.5798 3188644 PK04_107035 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B16 compound treatment -0.0071 -0.00716 -0.29 0.0095 0.00994 0.4 0.0769 0.1559 3070186 PK04_107036 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B17 compound treatment 0.0049 0.00485 0.2 0.0175 0.018 0.72 0.6498 0.868 3188645 PK04_107037 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B18 compound treatment 0.0029 0.00284 0.12 0.0125 0.0129 0.52 0.4489 0.8435 3188646 PK04_107038 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B19 compound treatment 0.0039 0.00385 0.16 0.0055 0.00591 0.24 0.2781 0.9793 3070187 PK04_107039 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B20 compound treatment 0.0029 0.00284 0.12 0.0095 0.00994 0.4 0.3637 0.8755 3188647 PK04_107040 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B21 compound treatment 0.0159 0.0158 0.64 0.0135 0.0139 0.56 0.8492 0.9976 3188648 PK04_107041 COc1ccc(CC(=O)N(Cc2cc3ccccc3o2)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B22 compound treatment -0.009 -0.00912 -0.37 0.0075 0.00791 0.32 -0.0369 -0.0757 3070188 PK04_107042 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B23 compound treatment -0.003 -0.00308 -0.12 0.0155 0.0159 0.64 0.3635 0.5584 3188649 PK04_107043 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 B24 compound treatment 0.007 0.00688 0.28 0.0225 0.0229 0.92 0.8479 0.8819 3188650 PK04_107044 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C01 compound treatment -0.0121 -0.0122 -0.49 -0.0055 -0.00506 -0.2 -0.4924 -0.9233 3414054 PK04_107045 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C02 compound treatment -0.007 -0.00712 -0.29 -5.0E-4 -6.09E-5 0.0 -0.2058 -0.7131 3188651 PK04_107046 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C03 compound treatment -0.0091 -0.00916 -0.37 -0.0045 -0.00406 -0.16 -0.3778 -0.9316 3414055 PK04_107047 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(Cc4ccccc4)nn3)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C04 compound treatment -0.014 -0.0141 -0.57 0.0035 0.00399 0.16 -0.2916 -0.4905 3070235 PK04_107048 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4cc(C)c(OC)c(C)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C05 compound treatment -0.0121 -0.0122 -0.49 0.0105 0.011 0.44 -0.0366 -0.0553 3414056 PK04_107049 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C06 compound treatment -1.0E-4 -1.58E-4 -0.01 -0.0015 -0.00107 -0.04 -0.0348 -0.8038 3070236 PK04_107050 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(OC)nc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C07 compound treatment -0.0041 -0.00416 -0.17 -0.0055 -0.00506 -0.2 -0.2629 -0.9957 3414057 PK04_107051 CCCCc1cn(C[C@@H]2CCCN2C(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C08 compound treatment 0.0049 0.00484 0.2 0.0075 0.00794 0.32 0.3642 0.9729 3188655 PK04_107052 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3[C@@H](O[Si](C(C)C)(C(C)C)c31)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C09 compound treatment -0.0061 -0.00616 -0.25 -0.0055 -0.00506 -0.2 -0.3203 -0.9948 3220705 PK04_107053 CCc1oc(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCCC3)c(C(=O)OC)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C10 compound treatment 0.0119 0.0118 0.48 0.0025 0.00294 0.12 0.423 0.8554 3188656 PK04_107054 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)C4CC4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C11 mock treatment 0.0049 0.00484 0.2 0.0015 0.00194 0.08 0.1939 0.9178 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C12 mock treatment 0.0029 0.00284 0.12 0.0065 0.00694 0.28 0.2785 0.9237 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C13 compound treatment -0.0101 -0.0102 -0.41 -0.0025 -0.00206 -0.08 -0.3499 -0.8326 3220708 PK04_107055 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C14 compound treatment -0.005 -0.00512 -0.21 -0.0075 -0.00707 -0.28 -0.3474 -0.9882 3188772 PK04_107056 CCCCCCc1nc(CCCc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCCCCC)n2)c4ccccc4)cc5[C@@H](O[Si](C(C)C)(C(C)C)c51)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C15 mock treatment -0.0021 -0.00216 -0.09 -0.0055 -0.00506 -0.2 -0.2056 -0.929 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C16 mock treatment 0.0059 0.00584 0.24 0.0045 0.00494 0.2 0.3077 0.9961 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C17 compound treatment -0.0011 -0.00116 -0.05 0.0025 0.00294 0.12 0.0502 0.3955 3220711 PK04_107057 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C18 compound treatment -0.0011 -0.00116 -0.05 0.0045 0.00494 0.2 0.107 0.5252 3070242 PK04_107058 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C19 compound treatment -0.007 -0.00708 -0.29 -0.0086 -0.00809 -0.33 -0.4328 -0.9981 3220713 PK04_107059 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4N)oc(C(=O)C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C20 compound treatment -0.0041 -0.00416 -0.17 -0.0015 -0.00107 -0.04 -0.1495 -0.8594 3070245 PK04_107060 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C21 compound treatment 0.0069 0.00684 0.28 5.0E-4 9.37E-4 0.04 0.2228 0.7957 3220715 PK04_107061 COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C22 compound treatment -0.0041 -0.00416 -0.17 0.0045 0.00494 0.2 0.021 0.0806 3070527 PK04_107062 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)cc(OC)c1OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C23 compound treatment -0.012 -0.0121 -0.49 -0.0055 -0.00506 -0.2 -0.4912 -0.9237 3220717 PK04_107063 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 C24 compound treatment -0.0021 -0.00216 -0.09 0.0065 0.00694 0.28 0.1351 0.4626 3070530 PK04_107064 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)C4CC4)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D01 compound treatment -0.016 -0.0161 -0.65 -0.0115 -0.011 -0.44 -0.7749 -0.9819 3188777 PK04_107065 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D02 compound treatment -0.009 -0.00908 -0.37 -0.0015 -0.00104 -0.04 -0.2899 -0.7825 3188778 PK04_107066 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D03 compound treatment -0.017 -0.0171 -0.69 -0.0085 -0.00801 -0.32 -0.7172 -0.9392 3070575 PK04_107067 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D04 compound treatment 0.0049 0.00484 0.2 -0.0185 -0.018 -0.72 -0.3735 -0.4975 3188779 PK04_107068 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D05 compound treatment -1.0E-4 -1.58E-4 -0.01 -0.0065 -0.00601 -0.24 -0.1753 -0.7256 3188780 PK04_107069 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D06 compound treatment -0.018 -0.0181 -0.73 -0.0085 -0.00804 -0.32 -0.7468 -0.9322 3070579 PK04_107070 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D07 compound treatment -0.012 -0.0121 -0.49 -0.0075 -0.00701 -0.28 -0.5466 -0.9651 3188781 PK04_107071 COc1ccc(CC(=O)N(Cc2cccc3ccccc23)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D08 compound treatment 0.0019 0.00184 0.07 0.0025 0.00294 0.12 0.1362 0.9757 3188782 PK04_107072 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D09 compound treatment -0.009 -0.00908 -0.37 0.0065 0.00694 0.28 -0.0632 -0.1368 3188783 PK04_107073 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc(OC)cc5)c6ccc(OCCCO)cc46)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D10 compound treatment -0.002 -0.00208 -0.08 -0.0015 -0.00104 -0.04 -0.0892 -0.9479 3070632 PK04_107074 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5cccc6ccccc56)c7cc(OCCCO)ccc27)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D11 mock treatment -0.007 -0.00708 -0.29 0.0155 0.0159 0.64 0.2488 0.3552 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D12 mock treatment -0.007 -0.00708 -0.29 -0.0095 -0.00904 -0.36 -0.4597 -0.9932 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D13 compound treatment -0.021 -0.0211 -0.85 -0.0075 -0.00701 -0.28 -0.8036 -0.8929 3188784 PK04_107075 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D14 compound treatment -0.0011 -0.00116 -0.05 -0.0105 -0.01 -0.4 -0.3176 -0.7844 3188785 PK04_107076 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D15 mock treatment -0.01 -0.0101 -0.41 -0.0095 -0.00904 -0.36 -0.5469 -0.9981 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D16 mock treatment 9.0E-4 8.42E-4 0.03 0.0015 0.00194 0.08 0.0792 0.9317 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D17 compound treatment 0.0029 0.00284 0.12 -0.0015 -0.00106 -0.04 0.0513 0.4174 3070637 PK04_107077 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)Cc5ccc6ccccc6c5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D18 compound treatment -1.0E-4 -1.58E-4 -0.01 0.0015 0.00194 0.08 0.0505 0.6468 3188786 PK04_107078 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D19 compound treatment -0.008 -0.00812 -0.33 -0.0125 -0.012 -0.48 -0.5739 -0.9826 3188787 PK04_107079 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc6ccccc6n5)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D20 compound treatment -0.01 -0.0101 -0.41 0.0035 0.00394 0.16 -0.1783 -0.4055 3070641 PK04_107080 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D21 compound treatment 0.0079 0.00784 0.32 -0.0115 -0.011 -0.44 -0.0887 -0.1625 3188905 PK04_107081 COc1ccc(CC(=O)N(Cc2ccc(cc2)c3ccccc3)[C@@H]4[C@@H](C(CC=C)OC(=O)C)N(C(=O)c5ccc(cc5)c6ccccc6)c7ccc(OCCCO)cc47)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D22 compound treatment -0.008 -0.00808 -0.33 0.0065 0.00691 0.28 -0.0355 -0.0827 3188906 PK04_107082 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4cccc5ccccc45)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D23 compound treatment 0.003 0.00292 0.12 -0.0025 -0.00204 -0.08 0.0258 0.1789 3070684 PK04_107083 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 D24 compound treatment 0.0119 0.0118 0.48 0.0085 0.00894 0.36 0.5935 0.9897 3188907 PK04_107084 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E01 mock treatment -1.0E-4 -1.58E-4 -0.01 0.0025 0.00294 0.12 0.079 0.6679 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E02 mock treatment 0.01 0.00988 0.4 0.0085 0.00899 0.36 0.5386 0.9986 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E03 compound treatment 0.004 0.00388 0.16 5.0E-4 9.37E-4 0.04 0.1379 0.8521 3220739 PK04_107085 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E04 compound treatment 0.093 0.0929 3.77 0.0675 0.068 2.73 4.5932 0.9875 3070690 PK04_107086 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C(=C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E05 compound treatment 0.007 0.00692 0.28 0.0175 0.018 0.72 0.7093 0.9152 3220741 PK04_107087 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)C4(O)CCCC4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E06 compound treatment 0.008 0.00792 0.32 0.0145 0.015 0.6 0.6528 0.9568 3070694 PK04_107088 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E07 compound treatment -0.001 -0.00108 -0.04 0.0015 0.00196 0.08 0.0247 0.2744 3220743 PK04_107089 COCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)N4CCOCC4)c(C(=O)OC)c3C(=O)OC)nn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E08 compound treatment 0.01 0.00988 0.4 0.0225 0.023 0.92 0.9362 0.9302 3188910 PK04_107090 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)c5ccc(o5)c6ccc(Cl)c(Cl)c6)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E09 mock treatment 0.013 0.0129 0.52 0.0255 0.026 1.04 1.1074 0.9488 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E10 mock treatment 0.026 0.0259 1.05 0.0285 0.029 1.16 1.5653 0.9987 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E11 compound treatment 0.013 0.0129 0.52 -0.0155 -0.015 -0.6 -0.0569 -0.0713 3188911 PK04_107091 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E12 compound treatment 0.004 0.00392 0.16 0.0155 0.016 0.64 0.5665 0.8564 3070742 PK04_107092 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E13 compound treatment -0.031 -0.0311 -1.26 -0.0135 -0.013 -0.52 -1.2627 -0.9242 3188912 PK04_107093 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](C)Cn3cc(CN(C)C2=O)nn3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E14 compound treatment 0.006 0.00592 0.24 -0.0085 -0.00807 -0.32 -0.0592 -0.1469 3070746 PK04_107094 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E15 compound treatment 0.003 0.00292 0.12 0.0075 0.00796 0.32 0.3098 0.9089 3188913 PK04_107095 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E16 compound treatment 0.008 0.00792 0.32 0.0115 0.012 0.48 0.5676 0.9807 3070750 PK04_107096 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E17 mock treatment 0.024 0.0239 0.97 0.0075 0.00794 0.32 0.9102 0.8927 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E18 mock treatment 0.016 0.0159 0.64 0.0165 0.017 0.68 0.9378 0.9996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E19 compound treatment -0.001 -0.00108 -0.04 -0.0015 -0.00106 -0.04 -0.0611 -0.9999 3220747 PK04_107097 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCCC2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E20 compound treatment 0.01 0.00992 0.4 0.0065 0.00699 0.28 0.4829 0.9845 3188915 PK04_107098 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E21 compound treatment 0.012 0.0119 0.48 0.0135 0.014 0.56 0.7379 0.9971 3220749 PK04_107099 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCC(C)C)oc(C(=O)Cc2ccccc2)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E22 compound treatment 0.011 0.0109 0.44 0.0215 0.022 0.88 0.9364 0.9486 3070803 PK04_107100 CC(C)[Si](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)(C#Cc3ccc(Oc4ccccc4)cc3)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E23 compound treatment -0.02 -0.0201 -0.82 -0.0186 -0.0181 -0.73 -1.0907 -0.9983 3220751 PK04_107101 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2ccc(OC)cc2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 E24 compound treatment 0.02 0.0199 0.81 0.0135 0.014 0.56 0.9673 0.9844 3070808 PK04_107102 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)c6ccccc6)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F01 mock treatment -0.01 -0.0101 -0.41 -0.0065 -0.00601 -0.24 -0.4609 -0.9681 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F02 mock treatment -0.015 -0.0151 -0.61 -0.0015 -0.00104 -0.04 -0.462 -0.7538 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F03 compound treatment -0.01 -0.0101 -0.41 0.0075 0.00794 0.32 -0.0636 -0.1227 3188918 PK04_107103 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F04 compound treatment 0.005 0.00488 0.2 -0.0015 -0.00106 -0.04 0.1098 0.5422 3188919 PK04_107104 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F05 compound treatment -0.005 -0.00512 -0.21 0.0155 0.0159 0.64 0.3058 0.4545 3188920 PK04_107105 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F06 compound treatment 0.0059 0.00584 0.24 0.0085 0.00894 0.36 0.4213 0.9797 3188921 PK04_107106 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F07 compound treatment -0.01 -0.0101 -0.41 -0.0015 -0.00106 -0.04 -0.3203 -0.7765 3070852 PK04_107107 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F08 compound treatment 0.0119 0.0118 0.48 0.0095 0.00994 0.4 0.6218 0.9958 3188922 PK04_107108 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F09 mock treatment 0.0139 0.0138 0.56 -0.0085 -0.00804 -0.32 0.1685 0.2602 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F10 mock treatment 0.008 0.00788 0.32 0.0155 0.0159 0.64 0.6777 0.9488 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F11 compound treatment 0.0049 0.00484 0.2 -0.0035 -0.00304 -0.12 0.0524 0.2268 3189029 PK04_107109 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F12 compound treatment -0.0051 -0.00516 -0.21 0.0045 0.00491 0.2 -0.0085 -0.0297 3070859 PK04_107110 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F13 compound treatment -0.0041 -0.00416 -0.17 0.0045 0.00494 0.2 0.0211 0.0811 3189030 PK04_107111 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F14 compound treatment 0.014 0.0139 0.56 -0.0095 -0.00904 -0.36 0.1413 0.2109 3189031 PK04_107112 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F15 compound treatment 0.014 0.0139 0.56 -5.0E-4 -6.29E-5 0.0 0.3963 0.7039 3070862 PK04_107113 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F16 compound treatment 0.019 0.0189 0.77 0.0115 0.0119 0.48 0.8804 0.9746 3189032 PK04_107114 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F17 mock treatment 0.012 0.0119 0.48 0.0085 0.00894 0.36 0.5945 0.9895 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F18 mock treatment 0.0099 0.00984 0.4 0.0135 0.0139 0.56 0.678 0.9863 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F19 compound treatment -0.006 -0.00612 -0.25 0.0135 0.0139 0.56 0.2204 0.3599 3189033 PK04_107115 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F20 compound treatment 0.0109 0.0108 0.44 0.0095 0.00994 0.4 0.5931 0.9988 3070022 PK04_107116 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F21 compound treatment 0.0129 0.0128 0.52 0.0115 0.0119 0.48 0.7064 0.9991 3189034 PK04_107117 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F22 compound treatment 0.0129 0.0128 0.52 0.0075 0.00791 0.32 0.5928 0.9718 3189035 PK04_107118 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F23 compound treatment -0.008 -0.00808 -0.33 0.0145 0.0149 0.6 0.1918 0.281 3070031 PK04_107119 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 F24 compound treatment 0.027 0.0269 1.09 0.0105 0.0109 0.44 1.0814 0.9201 3189036 PK04_107120 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G01 compound treatment -0.051 -0.0511 -2.07 -0.0415 -0.0411 -1.65 -2.6315 -0.9937 3220772 PK04_107121 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCc2c[nH]c3ccccc23)oc(C(=O)Cc4ccccc4)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G02 compound treatment -1.0E-4 -1.58E-4 -0.01 -0.0055 -0.00506 -0.2 -0.1483 -0.729 3070078 PK04_107122 CC[C@@H]1O[Si](C(C)C)(C(C)C)c2c1cc(nc2c3ccc(Oc4ccccc4)cc3)c5cc(C)c(OC)c(C)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G03 mock treatment -0.0041 -0.00415 -0.17 -0.0245 -0.024 -0.96 -0.801 -0.8182 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G04 mock treatment -0.0021 -0.00216 -0.09 0.0045 0.00494 0.2 0.0783 0.3614 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G05 compound treatment 0.011 0.0109 0.44 0.0095 0.00991 0.4 0.5934 0.9987 3220775 PK04_107123 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2nc[nH]n2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G06 compound treatment -1.0E-4 -1.58E-4 -0.01 -0.0025 -0.00206 -0.08 -0.063 -0.7595 3070081 PK04_107124 CC(C)[Si]1(OCc2c1c(nc(c3ccc(o3)c4ccc(Cl)c(Cl)c4)c2C)c5ccccc5)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G07 compound treatment -0.004 -0.00412 -0.17 0.0025 0.00296 0.12 -0.0341 -0.1664 3189039 PK04_107125 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G08 compound treatment -0.0011 -0.00116 -0.05 0.0035 0.00399 0.16 0.08 0.4796 3189040 PK04_107126 COc1c(C)cc(cc1C)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G09 compound treatment -0.049 -0.0491 -1.99 -0.0476 -0.0471 -1.89 -2.7458 -0.9997 3070086 PK04_107127 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(CCCNC(=N)N)nn2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G10 compound treatment 0.008 0.00788 0.32 0.0045 0.00494 0.2 0.3662 0.9736 3189041 PK04_107128 COc1ccc(cn1)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G11 compound treatment -0.0061 -0.00616 -0.25 -0.0015 -0.00106 -0.04 -0.2068 -0.8161 3070089 PK04_107129 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G12 compound treatment 0.031 0.0309 1.25 0.0295 0.03 1.2 1.7363 0.9998 3189042 PK04_107130 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G13 compound treatment -0.025 -0.0251 -1.02 -0.0315 -0.031 -1.25 -1.6018 -0.995 3070134 PK04_107131 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)C3(O)CCCCC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G14 compound treatment -0.035 -0.0351 -1.42 -0.0076 -0.00709 -0.28 -1.2073 -0.8322 3070137 PK04_107132 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G15 compound treatment 0.0 -7.76E-5 0.0 -0.0015 -0.00106 -0.04 -0.0324 -0.7572 3189043 PK04_107133 N[C@@H](Cc1ccccc1)Cn2cc(nn2)C3(O)CCCCC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G16 compound treatment -0.008 -0.00812 -0.33 -0.0046 -0.00409 -0.16 -0.349 -0.9485 3189044 PK04_107134 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G17 compound treatment 0.017 0.0169 0.68 0.0215 0.022 0.88 1.1085 0.9921 3070143 PK04_107135 N[C@@H](Cc1ccccc1)Cn2cc(nn2)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G18 compound treatment 0.0029 0.00284 0.12 0.0125 0.013 0.52 0.4503 0.843 3189045 PK04_107136 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)C4CC4)c5ccccc5)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G19 mock treatment -0.0131 -0.0132 -0.53 -0.0125 -0.0121 -0.48 -0.7199 -0.9988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G20 mock treatment -0.0011 -0.00116 -0.05 -0.0175 -0.017 -0.68 -0.5163 -0.7539 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G21 compound treatment -0.016 -0.0161 -0.65 -0.0116 -0.0111 -0.45 -0.7772 -0.9825 3070191 PK04_107137 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(Cc3ccccc3)nn2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G22 compound treatment 0.0049 0.00484 0.2 0.0085 0.00894 0.36 0.3928 0.9597 3189046 PK04_107138 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G23 compound treatment -0.0051 -0.00516 -0.21 -0.0025 -0.00206 -0.08 -0.2064 -0.9175 3070196 PK04_107139 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccn2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 G24 compound treatment -0.0041 -0.00416 -0.17 -0.0155 -0.015 -0.6 -0.5455 -0.8714 3189047 PK04_107140 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H01 compound treatment -0.015 -0.0151 -0.61 -0.0065 -0.00606 -0.24 -0.6057 -0.9182 3189157 PK04_107141 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H02 compound treatment 0.0089 0.00885 0.36 -0.0155 -0.015 -0.6 -0.1735 -0.2469 3189158 PK04_107142 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H03 mock treatment -0.009 -0.00912 -0.37 -0.0015 -0.00104 -0.04 -0.2911 -0.7822 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H04 mock treatment -0.007 -0.00712 -0.29 -5.0E-4 -6.29E-5 0.0 -0.2059 -0.7133 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H05 compound treatment -0.0011 -0.00116 -0.05 -0.0045 -0.00406 -0.16 -0.1486 -0.8752 3070201 PK04_107143 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H06 compound treatment -0.011 -0.0111 -0.45 -0.0045 -0.00401 -0.16 -0.4316 -0.9043 3189159 PK04_107144 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H07 compound treatment 9.0E-4 8.42E-4 0.03 -0.0035 -0.00306 -0.12 -0.0628 -0.4921 3071172 PK04_107145 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H08 compound treatment -1.0E-4 -1.58E-4 -0.01 -0.0065 -0.00601 -0.24 -0.1753 -0.7256 3071173 PK04_107146 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H09 compound treatment -0.007 -0.00712 -0.29 -0.0045 -0.00401 -0.16 -0.3181 -0.9621 3071174 PK04_107147 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H10 compound treatment 0.0109 0.0108 0.44 0.0035 0.00394 0.16 0.4227 0.9047 3189160 PK04_107148 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H11 compound treatment -0.022 -0.0221 -0.9 -0.0115 -0.011 -0.44 -0.9478 -0.9473 3189161 PK04_107149 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H12 compound treatment -0.0021 -0.00216 -0.09 -0.0025 -0.00206 -0.08 -0.1205 -0.9996 3071175 PK04_107150 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H13 compound treatment -0.028 -0.0281 -1.14 -0.0065 -0.00606 -0.24 -0.9785 -0.8392 3189162 PK04_107151 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5ccc(cc5)c6ccccc6)c7cc(OCCCO)ccc27)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H14 compound treatment -0.0091 -0.00916 -0.37 5.0E-4 9.37E-4 0.04 -0.236 -0.6322 3189163 PK04_107152 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H15 compound treatment -0.0081 -0.00816 -0.33 -0.0185 -0.018 -0.72 -0.7455 -0.9371 3071176 PK04_107153 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H16 compound treatment -0.0061 -0.00616 -0.25 -0.0035 -0.00306 -0.12 -0.2635 -0.9468 3189164 PK04_107154 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H17 compound treatment -0.0071 -0.00716 -0.29 0.0055 0.00594 0.24 -0.0366 -0.0976 3189165 PK04_107155 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc8ccccc8c7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H18 compound treatment -0.012 -0.0121 -0.49 -0.0145 -0.014 -0.56 -0.7463 -0.9976 3071177 PK04_107156 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H19 mock treatment -0.01 -0.0101 -0.41 -0.0185 -0.018 -0.72 -0.8016 -0.9639 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H20 mock treatment -0.0031 -0.00316 -0.13 -0.0035 -0.00307 -0.12 -0.1776 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H21 compound treatment -0.0021 -0.00216 -0.09 -0.0035 -0.00306 -0.12 -0.1488 -0.9861 3189166 PK04_107157 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H22 compound treatment 0.009 0.00888 0.36 5.0E-4 9.57E-4 0.04 0.2819 0.7781 3189167 PK04_107158 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H23 compound treatment 0.013 0.0129 0.52 -0.0075 -0.00704 -0.28 0.1694 0.2852 3071178 PK04_107159 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc(cc7)c8ccccc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 H24 compound treatment 0.0069 0.00684 0.28 0.0095 0.00994 0.4 0.4784 0.9842 3189168 PK04_107160 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I01 compound treatment -0.0131 -0.0132 -0.53 -0.0065 -0.00606 -0.24 -0.5495 -0.9368 3071179 PK04_107161 CC(C)[C@@H](C(=O)O)n1cc(nn1)C2(O)CCCCC2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I02 compound treatment -0.0011 -0.00116 -0.05 -0.0105 -0.0101 -0.4 -0.319 -0.784 3189169 PK04_107162 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I03 compound treatment -0.015 -0.0151 -0.61 -5.0E-4 -4.29E-5 0.0 -0.4347 -0.7091 3071180 PK04_107163 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccn3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I04 compound treatment -0.0121 -0.0122 -0.49 -0.0095 -0.00906 -0.36 -0.606 -0.9888 3189170 PK04_107164 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)cc(OC)c1OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I05 mock treatment 0.008 0.00788 0.32 -0.0045 -0.00406 -0.16 0.1108 0.3088 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I06 mock treatment 0.0 -7.76E-5 0.0 -0.0095 -0.00906 -0.36 -0.2596 -0.7132 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I07 compound treatment 0.007 0.00692 0.28 -0.0056 -0.00509 -0.2 0.0539 0.1551 3071181 PK04_107165 COc1cccc(C[C@H]2C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N3C(=O)[C@]4(O[C@@]23[C@H]5[C@@H]4C(=O)N(C)C5=O)C(=O)C)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I08 compound treatment -0.0071 -0.00716 -0.29 -0.0065 -0.00606 -0.24 -0.3774 -0.9962 3189171 PK04_107166 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I09 compound treatment 0.0039 0.00384 0.16 0.0155 0.016 0.64 0.5642 0.8539 3189172 PK04_107167 COc1cccc(C[C@H]2C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N3C(=O)[C@@]4(O[C@]23[C@@H]5[C@H]4C(=O)N(C)C5=O)C(=O)C)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I10 compound treatment 0.011 0.0109 0.44 0.0125 0.013 0.52 0.6808 0.9966 3071182 PK04_107168 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I11 compound treatment -0.4704 -0.47 -19.08 -0.4667 -0.466 -18.72 -26.7297 -1.0 3189173 PK04_107169 NC(=N)NCc1cn(CCc2c[nH]c3ccccc23)nn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I12 compound treatment 0.002 0.00192 0.08 -0.0105 -0.0101 -0.4 -0.2306 -0.5604 3189286 PK04_107170 CC(C)[Si]1(O[C@H](c2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I13 compound treatment -0.003 -0.00308 -0.12 0.0015 0.00196 0.08 -0.0327 -0.2215 3071183 PK04_107171 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@H](Cc4ccccc4)C(=O)N23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I14 compound treatment -0.007 -0.00708 -0.29 0.0095 0.00996 0.4 0.0798 0.1621 3189287 PK04_107172 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I15 compound treatment -0.001 -0.00112 -0.05 -0.0145 -0.0141 -0.56 -0.4314 -0.7614 3071184 PK04_107173 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@@H](Cc4ccccc4)C(=O)N23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I16 compound treatment -0.007 -0.00712 -0.29 -0.0135 -0.0131 -0.52 -0.575 -0.9604 3189288 PK04_107174 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I17 compound treatment -0.009 -0.00912 -0.37 0.0025 0.00299 0.12 -0.1766 -0.4544 3071185 PK04_107175 COc1ccc(cc1)[C@H]2OC[C@@H]3CC4(CC=CC4)C(=O)N23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I18 compound treatment -0.015 -0.0151 -0.61 -5.0E-4 -6.29E-5 0.0 -0.4353 -0.71 3189289 PK04_107176 COc1cc(Cc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5)cc(OC)c1OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I19 compound treatment -1.0E-4 -1.58E-4 -0.01 -0.0035 -0.00306 -0.12 -0.0915 -0.7428 3071186 PK04_107177 COc1ccc(cc1)[C@H]2OC[C@@H]3CCC(=O)N23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I20 compound treatment -0.0071 -0.00716 -0.29 0.0035 0.00399 0.16 -0.092 -0.2776 3189171 PK04_107178 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I21 mock treatment -0.0041 -0.00415 -0.17 0.0075 0.00793 0.32 0.1062 0.2948 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I22 mock treatment 0.0079 0.00784 0.32 0.0025 0.00293 0.12 0.3082 0.9087 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I23 compound treatment 0.0089 0.00884 0.36 0.0125 0.0129 0.52 0.6209 0.9836 3189290 PK04_107179 COc1ccc(cc1)[C@H]2OC[C@@H]3CC(CC=C)(CC=C)C(=O)N23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 I24 compound treatment -0.0131 -0.0132 -0.53 5.0E-4 9.37E-4 0.04 -0.3507 -0.6556 3071182 PK04_107180 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J01 compound treatment -0.02 -0.0201 -0.82 -0.0245 -0.024 -0.96 -1.2588 -0.9965 3189291 PK04_107181 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J02 compound treatment -0.009 -0.00912 -0.37 -0.0375 -0.037 -1.49 -1.3125 -0.8569 3071187 PK04_107182 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J03 compound treatment -0.026 -0.0261 -1.06 -0.0185 -0.018 -0.72 -1.2593 -0.9829 3189292 PK04_107183 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J04 compound treatment -0.0031 -0.00316 -0.13 -0.0045 -0.00406 -0.16 -0.2059 -0.9928 3189293 PK04_107184 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J05 mock treatment -0.0041 -0.00416 -0.17 -0.0075 -0.00707 -0.28 -0.3199 -0.9691 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J06 mock treatment -0.018 -0.0181 -0.73 -0.0055 -0.00507 -0.2 -0.6634 -0.8702 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J07 compound treatment -0.026 -0.0261 -1.06 -0.0215 -0.021 -0.84 -1.3456 -0.9937 3071188 PK04_107185 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J08 compound treatment -0.0031 -0.00316 -0.13 -0.0155 -0.015 -0.6 -0.5169 -0.8386 3189294 PK04_107186 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J09 compound treatment -0.0041 -0.00416 -0.17 -0.0045 -0.00407 -0.16 -0.2347 -0.9999 3189295 PK04_107187 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J10 compound treatment -0.002 -0.00212 -0.09 -0.0055 -0.00501 -0.2 -0.2031 -0.9278 3071189 PK04_107188 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J11 compound treatment -0.004 -0.00412 -0.17 -0.0055 -0.00507 -0.2 -0.2619 -0.9952 3189296 PK04_107189 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J12 compound treatment -0.0021 -0.00216 -0.09 -0.0145 -0.014 -0.56 -0.4598 -0.8073 3189297 PK04_107190 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J13 compound treatment -0.019 -0.0191 -0.78 -0.0395 -0.039 -1.57 -1.6561 -0.9474 3071190 PK04_107191 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J14 compound treatment -0.0051 -0.00516 -0.21 -0.0295 -0.029 -1.17 -0.9718 -0.8209 3189298 PK04_107192 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J15 compound treatment -0.031 -0.0311 -1.26 -0.0055 -0.00507 -0.2 -1.0362 -0.8106 3071191 PK04_107193 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J16 compound treatment -0.011 -0.0111 -0.45 -0.0265 -0.026 -1.05 -1.0583 -0.9293 3189299 PK04_107194 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J17 compound treatment -0.4614 -0.461 -18.71 -0.0065 -0.00601 -0.24 -13.4038 -0.7162 3189300 PK04_107195 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J18 compound treatment -0.009 -0.00912 -0.37 5.0E-4 9.42E-4 0.04 -0.2347 -0.6315 3071192 PK04_107196 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J19 compound treatment -0.0061 -0.00616 -0.25 -0.0025 -0.00206 -0.08 -0.2352 -0.8938 3189301 PK04_107197 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J20 compound treatment -0.0021 -0.00216 -0.09 0.0055 0.00594 0.24 0.1067 0.4202 3189302 PK04_107198 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J21 mock treatment 0.0069 0.00685 0.28 0.0105 0.0109 0.44 0.5069 0.9755 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J22 mock treatment -0.014 -0.0141 -0.57 0.0045 0.00491 0.2 -0.2643 -0.4377 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J23 compound treatment -0.012 -0.0121 -0.49 0.0055 0.00596 0.24 -0.1772 -0.325 3071251 PK04_107199 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 J24 compound treatment 0.0119 0.0118 0.48 0.0135 0.0139 0.56 0.7354 0.9971 3189414 PK04_107200 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K01 compound treatment -0.016 -0.0161 -0.65 -0.0046 -0.00409 -0.16 -0.5784 -0.8582 3071252 PK04_107201 COc1cccc(C[C@H]2C[C@@H](CO)NC2=O)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K02 compound treatment -0.0081 -0.00815 -0.33 -0.0176 -0.0171 -0.69 -0.7192 -0.9439 3189415 PK04_107202 CCCCCCC#C[Si](O[C@@H](C#C)c1ccccc1)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K03 compound treatment -0.0051 -0.00516 -0.21 -0.0095 -0.00906 -0.36 -0.4053 -0.9654 3071253 PK04_107203 COC(=O)c1c(CC[C@@H](CO)NC(=O)N(C)Cc2ccccc2)oc(C(=O)OCC=C)c1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K04 compound treatment 0.0019 0.00184 0.07 -0.0195 -0.019 -0.76 -0.4871 -0.6349 3189416 PK04_107204 CCCCCCC#C[Si](OCC#CC)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K05 compound treatment 0.001 9.22E-4 0.04 -0.0065 -0.00604 -0.24 -0.1452 -0.5911 3189417 PK04_107205 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(COC2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K06 compound treatment -0.001 -0.00108 -0.04 -0.0065 -0.00604 -0.24 -0.2025 -0.8212 3071254 PK04_107206 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccccc2)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K07 mock treatment -0.004 -0.00408 -0.17 -0.0256 -0.0251 -1.01 -0.8295 -0.8123 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K08 mock treatment 0.0029 0.00284 0.12 -0.0066 -0.00609 -0.24 -0.0915 -0.3383 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K09 compound treatment -0.0041 -0.00415 -0.17 -0.0095 -0.00909 -0.37 -0.3773 -0.9382 3071255 PK04_107207 NC(=N)NCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K10 compound treatment -1.0E-4 -1.58E-4 -0.01 0.0035 0.00396 0.16 0.1079 0.6781 3189418 PK04_107208 CC#CCO[Si](C#Cc1ccccc1)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K11 compound treatment 0.012 0.0119 0.48 -0.0076 -0.00709 -0.28 0.1393 0.2489 3189419 PK04_107209 OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K12 compound treatment -0.005 -0.00508 -0.21 -0.0055 -0.00504 -0.2 -0.2888 -1.0 3071256 PK04_107210 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccc(Oc3ccccc3)cc2)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K13 compound treatment -0.008 -0.00812 -0.33 -0.0265 -0.026 -1.05 -0.9723 -0.8868 3189420 PK04_107211 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@](Cc4ccccc4)(C(=O)OCC=C)C(=O)N23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K14 compound treatment -0.009 -0.00912 -0.37 -0.0145 -0.0141 -0.56 -0.6608 -0.9789 3071257 PK04_107212 CC[C@@H](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)C#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K15 mock treatment -0.005 -0.00512 -0.21 -5.0E-4 -4.29E-5 0.0 -0.148 -0.7129 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K16 mock treatment 0.007 0.00692 0.28 0.0025 0.00296 0.12 0.2825 0.9267 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K17 compound treatment -0.0011 -0.00116 -0.05 -0.0215 -0.021 -0.85 -0.6308 -0.7452 1035256 PK04_107213 C#CCNCc1ccccc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K18 compound treatment -0.0051 -0.00516 -0.21 0.0075 0.00796 0.32 0.0781 0.2044 3189421 PK04_107214 CC(C)[Si](Oc1ccccc1Br)(C#CCCCC#N)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K19 compound treatment -0.0111 -0.0112 -0.45 -0.0116 -0.0111 -0.45 -0.635 -1.0 3071258 PK04_107215 CC(C)[C@H](N=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K20 compound treatment -0.015 -0.0151 -0.61 -0.0226 -0.0221 -0.89 -1.0607 -0.9837 3189422 PK04_107216 CC[C@@H](O[Si](C#CCCCC#N)(C(C)C)C(C)C)C#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K21 compound treatment -0.0051 -0.00516 -0.21 -0.0015 -0.00106 -0.04 -0.1781 -0.8342 3189423 PK04_107217 [N-]=[N+]=NC[C@H](Cc1ccccc1)NC(=O)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K22 compound treatment -0.013 -0.0131 -0.53 -0.0236 -0.0231 -0.93 -1.0319 -0.9652 3071259 PK04_107218 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#Cc4ccccc4)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K23 mock treatment 0.0059 0.00584 0.24 0.0025 0.00293 0.12 0.2509 0.948 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 K24 mock treatment 0.014 0.0139 0.56 -0.0035 -0.00306 -0.12 0.3111 0.5399 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L01 compound treatment -0.0061 -0.00616 -0.25 -0.0235 -0.023 -0.92 -0.8301 -0.8671 3189424 PK04_107219 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L02 compound treatment 0.0 -7.76E-5 0.0 -0.0025 -0.00206 -0.08 -0.0608 -0.7334 3189425 PK04_107220 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L03 compound treatment 0.007 0.00692 0.28 0.0045 0.00494 0.2 0.3387 0.9855 3071260 PK04_107221 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L04 compound treatment -0.005 -0.00512 -0.21 -5.0E-4 -6.29E-5 0.0 -0.1485 -0.7157 3189426 PK04_107222 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L05 compound treatment 0.0049 0.00484 0.2 -0.0185 -0.018 -0.72 -0.3727 -0.4972 3189427 PK04_107223 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L06 compound treatment -0.0021 -0.00216 -0.09 0.0105 0.011 0.44 0.2501 0.556 3071261 PK04_107224 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L07 mock treatment -0.0051 -0.00516 -0.21 -0.0025 -0.00206 -0.08 -0.2065 -0.9178 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L08 mock treatment -0.011 -0.0111 -0.45 -0.0015 -0.00107 -0.04 -0.3491 -0.7708 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L09 compound treatment 0.0059 0.00585 0.24 0.0095 0.00999 0.4 0.4513 0.9686 3189428 PK04_107225 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L10 compound treatment 0.014 0.0139 0.56 -0.0175 -0.017 -0.68 -0.085 -0.0961 3189429 PK04_107226 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L11 compound treatment 0.0129 0.0128 0.52 -5.0E-4 -6.09E-5 0.0 0.3665 0.7038 3071262 PK04_107227 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L12 compound treatment 0.0059 0.00584 0.24 -5.0E-4 -6.29E-5 0.0 0.1657 0.6995 3189430 PK04_107228 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L13 compound treatment -0.0041 -0.00416 -0.17 -0.0115 -0.0111 -0.44 -0.4334 -0.912 3189431 PK04_107229 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)Cc5ccc(F)cc5)c6cc(OCCCO)ccc26)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L14 compound treatment -0.0011 -0.00116 -0.05 -0.0025 -0.00206 -0.08 -0.0918 -0.9639 3071263 PK04_107230 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L15 mock treatment -0.0031 -0.00316 -0.13 -0.0015 -0.00104 -0.04 -0.1202 -0.8919 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L16 mock treatment -0.004 -0.00408 -0.17 5.0E-4 9.34E-4 0.04 -0.0904 -0.5331 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L17 compound treatment 0.024 0.0239 0.97 -5.0E-4 -6.09E-5 0.0 0.6831 0.7053 3189432 PK04_107231 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L18 compound treatment 0.0089 0.00884 0.36 0.0175 0.018 0.72 0.7643 0.9478 3189547 PK04_107232 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L19 compound treatment 0.0079 0.00784 0.32 5.0E-4 9.37E-4 0.04 0.2515 0.7853 3071264 PK04_107233 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L20 compound treatment 0.013 0.0129 0.52 0.0105 0.011 0.44 0.6814 0.9965 3189548 PK04_107234 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L21 compound treatment 0.0039 0.00384 0.16 -0.0115 -0.011 -0.44 -0.2026 -0.432 3189549 PK04_107235 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L22 compound treatment 0.019 0.0189 0.77 0.0095 0.00994 0.4 0.8236 0.9539 3071265 PK04_107236 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L23 mock treatment 0.0169 0.0168 0.68 0.0155 0.016 0.64 0.937 0.9995 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 L24 mock treatment 0.029 0.0289 1.17 0.0245 0.025 1.0 1.5378 0.997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M01 compound treatment 0.0 -7.76E-5 0.0 -5.0E-4 -4.29E-5 0.0 -0.0034 -0.9597 3189550 PK04_107237 COc1cccc(C[C@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M02 compound treatment -0.009 -0.00908 -0.37 -5.0E-4 -4.29E-5 0.0 -0.2615 -0.7104 3071266 PK04_107238 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCc4ccccc4)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M03 compound treatment 0.007 0.00692 0.28 -0.0116 -0.0111 -0.45 -0.1165 -0.2213 3189551 PK04_107239 COc1cccc(C[C@@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M04 compound treatment 0.006 0.00592 0.24 0.0065 0.00696 0.28 0.3674 0.9972 3189552 PK04_107240 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M05 compound treatment 0.001 9.22E-4 0.04 0.0055 0.00596 0.24 0.1956 0.8079 3071267 PK04_107241 CN(C)S(=O)(=O)NCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M06 compound treatment 0.004 0.00392 0.16 -0.0245 -0.0241 -0.97 -0.5717 -0.583 3189553 PK04_107242 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M07 compound treatment 0.01 0.00992 0.4 -0.0035 -0.00304 -0.12 0.1981 0.4711 3414058 PK04_107243 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M08 compound treatment 0.018 0.0179 0.73 0.0035 0.00396 0.16 0.6252 0.8421 3189554 PK04_107244 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(Cc2cccc(Cl)c2)nn1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M09 mock treatment 0.018 0.0179 0.73 0.0065 0.00696 0.28 0.7103 0.914 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M10 mock treatment 0.0019 0.00184 0.07 0.0065 0.00699 0.28 0.2512 0.8652 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M11 compound treatment -0.028 -0.0281 -1.14 -0.0295 -0.029 -1.17 -1.6299 -0.9999 3189555 PK04_107245 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M12 compound treatment -0.002 -0.00208 -0.08 0.0125 0.013 0.52 0.3084 0.585 3071269 PK04_107246 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(nn1)[C@H](C)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M13 mock treatment -0.011 -0.0111 -0.45 -0.0065 -0.00604 -0.24 -0.4904 -0.9578 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M14 mock treatment 0.014 0.0139 0.56 0.0025 0.00296 0.12 0.4832 0.8375 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M15 compound treatment -0.027 -0.0271 -1.1 -0.0215 -0.021 -0.85 -1.374 -0.9916 3189556 PK04_107247 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M16 compound treatment -0.006 -0.00612 -0.25 -0.0015 -0.00104 -0.04 -0.205 -0.8149 3189557 PK04_107248 CCCC#C[Si](O[C@H](CC)c1cn(Cc2ccccc2)nn1)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M17 compound treatment -0.001 -0.00108 -0.04 -0.0186 -0.0181 -0.73 -0.5447 -0.7483 3189558 PK04_107249 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M18 compound treatment 0.004 0.00392 0.16 0.0035 0.00396 0.16 0.2248 1.0 3071329 PK04_107250 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M19 compound treatment 0.008 0.00792 0.32 0.0075 0.00796 0.32 0.4531 1.0 3189559 PK04_107251 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H]5CCCN5C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M20 compound treatment 0.002 0.00192 0.08 -0.0146 -0.0141 -0.57 -0.3451 -0.604 3071330 PK04_107252 CCCC#C[Si](O[C@H](CC)c1cn(Cc2cccc(Cl)c2)nn1)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M21 compound treatment 0.006 0.00588 0.24 0.0125 0.013 0.52 0.5375 0.9371 3189560 PK04_107253 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H]5CCCN5C2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M22 compound treatment 0.013 0.0129 0.52 0.0125 0.013 0.52 0.7382 1.0 3071331 PK04_107254 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](C)c2ccccc2)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M23 compound treatment -0.0011 -0.00116 -0.05 0.0065 0.00694 0.28 0.1638 0.5798 3189561 PK04_107255 CN1Cc2cn(C[C@H](Cc3ccccc3)NC(=O)c4cc(c(CC[C@@H](CO)NC1=O)o4)S(=O)(=O)c5ccc(C)cc5)nn2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 M24 compound treatment 0.0079 0.00784 0.32 0.0035 0.00394 0.16 0.3367 0.948 3071332 PK04_107256 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N01 compound treatment -0.022 -0.0221 -0.9 -0.0295 -0.029 -1.17 -1.4581 -0.9916 3189562 PK04_107257 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)Cc4ccc(F)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N02 compound treatment -0.024 -0.0241 -0.98 -0.0355 -0.035 -1.41 -1.6858 -0.9843 3189563 PK04_107258 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N03 compound treatment -0.032 -0.0321 -1.3 -0.0225 -0.022 -0.88 -1.5461 -0.9822 3071333 PK04_107259 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(o3)c4cccc(c4)C(F)(F)F)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N04 compound treatment -0.025 -0.0251 -1.02 -0.0325 -0.032 -1.29 -1.6293 -0.9934 3189564 PK04_107260 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N05 compound treatment -0.0091 -0.00915 -0.37 -0.0155 -0.015 -0.6 -0.6888 -0.9728 3189681 PK04_107261 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N06 compound treatment -0.0091 -0.00916 -0.37 -0.0225 -0.022 -0.88 -0.8877 -0.9258 3071334 PK04_107262 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N07 compound treatment -0.0091 -0.00916 -0.37 -0.0195 -0.019 -0.76 -0.8025 -0.9452 3189682 PK04_107263 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N08 compound treatment -0.01 -0.0101 -0.41 -0.0295 -0.029 -1.17 -1.1141 -0.9018 3071335 PK04_107264 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N09 mock treatment -0.022 -0.0221 -0.9 -0.0255 -0.025 -1.0 -1.3445 -0.9984 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N10 mock treatment 0.0059 0.00584 0.24 -0.0035 -0.00306 -0.12 0.0806 0.3018 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N11 compound treatment -0.024 -0.0241 -0.98 -0.0235 -0.023 -0.92 -1.3451 -0.9996 3189683 PK04_107265 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N12 compound treatment 9.0E-4 8.47E-4 0.03 -5.0E-4 -6.29E-5 0.0 0.0225 0.6534 3189684 PK04_107266 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N13 mock treatment -0.0021 -0.00216 -0.09 -0.0045 -0.00406 -0.16 -0.1771 -0.9575 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N14 mock treatment -0.0061 -0.00616 -0.25 -0.0135 -0.013 -0.52 -0.5461 -0.9429 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N15 compound treatment 0.0059 0.00584 0.24 -0.0145 -0.014 -0.56 -0.2304 -0.3773 3071336 PK04_107267 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(o2)c3cccc(c3)C(F)(F)F)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N16 compound treatment -0.013 -0.0131 -0.53 0.0015 0.00194 0.08 -0.32 -0.597 3189685 PK04_107268 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N17 compound treatment 0.042 0.0419 1.7 -0.0115 -0.011 -0.44 0.8894 0.5063 3189686 PK04_107269 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cc4ccccc4o3)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N18 compound treatment -0.024 -0.0241 -0.98 -0.0035 -0.00306 -0.12 -0.7774 -0.7899 3071337 PK04_107270 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N19 compound treatment -0.0021 -0.00216 -0.09 -0.0115 -0.011 -0.44 -0.3746 -0.8309 3189687 PK04_107271 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N20 compound treatment 0.0049 0.00484 0.2 -0.0085 -0.00801 -0.32 -0.0887 -0.2353 3189688 PK04_107272 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N21 compound treatment 0.0039 0.00384 0.16 0.0135 0.014 0.56 0.5074 0.8704 3071339 PK04_107273 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N22 compound treatment -0.001 -0.00108 -0.04 0.0045 0.00491 0.2 0.1084 0.5373 3189689 PK04_107274 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N23 compound treatment 0.003 0.00292 0.12 0.0075 0.00794 0.32 0.3093 0.9091 3189690 PK04_107275 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 N24 compound treatment 0.0129 0.0128 0.52 0.0105 0.0109 0.44 0.6788 0.9964 3071341 PK04_107276 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O01 compound treatment -0.0051 -0.00516 -0.21 -0.0135 -0.0131 -0.52 -0.5188 -0.9187 3414059 PK04_107277 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(Cc5ccccc5)C2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O02 compound treatment -0.068 -0.0681 -2.76 -0.0615 -0.061 -2.45 -3.6856 -0.9982 3189692 PK04_107278 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O03 compound treatment -0.019 -0.0191 -0.78 -0.0095 -0.00904 -0.36 -0.805 -0.9403 3414060 PK04_107279 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(nn4)C5(CCCCC5)NC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O04 compound treatment 0.005 0.00492 0.2 -0.0085 -0.00804 -0.32 -0.0872 -0.2298 3189693 PK04_107280 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O05 compound treatment -0.001 -0.00108 -0.04 -0.0095 -0.00904 -0.36 -0.2877 -0.7865 3071393 PK04_107281 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cnnn3C[C@H](Cc4ccccc4)NC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O06 compound treatment -0.005 -0.00508 -0.21 -0.0025 -0.00204 -0.08 -0.2036 -0.9186 3189694 PK04_107282 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O07 compound treatment -0.004 -0.00408 -0.17 -0.0236 -0.0231 -0.93 -0.7727 -0.8202 3189695 PK04_107283 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O08 compound treatment -0.007 -0.00708 -0.29 0.0065 0.00696 0.28 -0.0054 -0.0135 3071395 PK04_107284 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O09 compound treatment 0.0 -7.76E-5 0.0 -0.0065 -0.00604 -0.24 -0.1738 -0.7162 3189696 PK04_107285 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O10 compound treatment -0.009 -0.00912 -0.37 -0.0196 -0.0191 -0.77 -0.8036 -0.9441 3189697 PK04_107286 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O11 mock treatment -0.007 -0.00708 -0.29 -0.0095 -0.00909 -0.37 -0.4612 -0.9929 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O12 mock treatment -0.022 -0.0221 -0.9 0.0025 0.00296 0.12 -0.5503 -0.6082 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O13 compound treatment 0.009 0.00892 0.36 -0.0146 -0.0141 -0.57 -0.1443 -0.2149 3071396 PK04_107287 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](C)NC2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O14 compound treatment 0.013 0.0129 0.52 -5.0E-4 -4.29E-5 0.0 0.3693 0.7048 3187592 PK04_107288 CC(C)[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O15 compound treatment 0.007 0.00692 0.28 -0.0035 -0.00304 -0.12 0.1121 0.3661 3187593 PK04_107289 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O16 compound treatment 0.007 0.00688 0.28 0.0035 0.00396 0.16 0.3097 0.9644 3071397 PK04_107290 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O17 compound treatment 0.014 0.0139 0.56 -0.0046 -0.00409 -0.16 0.2819 0.4806 3187594 PK04_107291 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O18 compound treatment -0.006 -0.00612 -0.25 -0.0066 -0.00609 -0.24 -0.3484 -1.0 3071398 PK04_107292 CC(C)[Si](O[C@H](C)c1cn(Cc2ccccc2)nn1)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O19 compound treatment 0.007 0.00688 0.28 -0.0045 -0.00404 -0.16 0.0825 0.2557 3187595 PK04_107293 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](NC2=O)C(C)C)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O20 compound treatment 0.002 0.00192 0.08 -0.0196 -0.0191 -0.77 -0.4871 -0.632 3071399 PK04_107294 CC(C)[Si](O[C@H](C)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O21 compound treatment 0.0059 0.00584 0.24 0.0055 0.00599 0.24 0.3375 1.0 3187594 PK04_107295 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O22 compound treatment 0.0049 0.00484 0.2 0.0165 0.017 0.68 0.6212 0.8751 3187596 PK04_107296 CC(C)[Si](O[C@H](C)c1cn(Cc2cccc(Cl)c2)nn1)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O23 compound treatment 9.0E-4 8.42E-4 0.03 0.0205 0.021 0.84 0.62 0.7352 3187597 PK04_107297 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](NC2=O)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 O24 compound treatment -0.009 -0.00912 -0.37 -0.0025 -0.00206 -0.08 -0.32 -0.8446 3071400 PK04_107298 CC(C)[Si](O[C@H](C)c1cn(nn1)[C@H](C)c2ccccc2)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P01 compound treatment -0.059 -0.0591 -2.4 -0.0465 -0.046 -1.85 -3.0016 -0.9918 3187598 PK04_107299 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cc3ccccc3o2)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P02 compound treatment -0.022 -0.0221 -0.9 -0.0265 -0.026 -1.04 -1.373 -0.9971 3071401 PK04_107300 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P03 compound treatment -0.018 -0.0181 -0.73 -0.0385 -0.038 -1.53 -1.5998 -0.9437 3187599 PK04_107301 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3cccc4ccccc34)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P04 compound treatment -0.028 -0.0281 -1.14 -0.0325 -0.032 -1.29 -1.7154 -0.9982 3187600 PK04_107302 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P05 compound treatment -0.031 -0.0311 -1.26 -0.0345 -0.034 -1.37 -1.859 -0.9992 3071402 PK04_107303 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P06 compound treatment -0.031 -0.0311 -1.26 -0.0236 -0.0231 -0.93 -1.5481 -0.9885 3187601 PK04_107304 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P07 compound treatment -0.032 -0.0321 -1.3 -0.0415 -0.041 -1.65 -2.0845 -0.9932 3187602 PK04_107305 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P08 compound treatment -0.0141 -0.0142 -0.57 -0.0245 -0.024 -0.96 -1.0879 -0.9693 3071403 PK04_107306 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P09 compound treatment -0.024 -0.0241 -0.98 -0.0235 -0.023 -0.92 -1.3451 -0.9996 3187603 PK04_107307 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P10 compound treatment -0.026 -0.0261 -1.06 -0.0205 -0.02 -0.8 -1.3172 -0.9907 3187604 PK04_107308 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P11 mock treatment -0.035 -0.0351 -1.42 -0.0305 -0.03 -1.21 -1.8593 -0.9966 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P12 mock treatment -0.014 -0.0141 -0.57 -0.0245 -0.024 -0.96 -1.0868 -0.969 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P13 compound treatment -0.04 -0.0401 -1.63 -0.0305 -0.03 -1.21 -2.0027 -0.9891 3071404 PK04_107309 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2cccc3ccccc23)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P14 compound treatment -0.018 -0.0181 -0.73 -0.0165 -0.016 -0.64 -0.9744 -0.9978 3187605 PK04_107310 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P15 compound treatment -0.0081 -0.00816 -0.33 -0.0335 -0.033 -1.33 -1.1714 -0.8573 3187606 PK04_107311 COc1ccc(CC(=O)N2[C@H](C(CC=C)OC(=O)C)[C@@H](N(Cc3ccc(cc3)c4ccccc4)C(=O)c5ccc(C)cc5)c6cc(OCCCO)ccc26)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P16 compound treatment -0.016 -0.0161 -0.65 -0.0285 -0.028 -1.12 -1.2577 -0.9666 3071405 PK04_107312 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P17 compound treatment -0.031 -0.0311 -1.26 -0.0235 -0.023 -0.92 -1.5458 -0.9883 3187607 PK04_107313 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P18 compound treatment -0.008 -0.00812 -0.33 -0.0285 -0.028 -1.12 -1.0283 -0.8772 3187608 PK04_107314 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P19 compound treatment -0.015 -0.0151 -0.61 -0.0205 -0.02 -0.8 -1.0018 -0.9911 3187728 PK04_107315 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc7ccccc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P20 compound treatment -0.012 -0.0121 -0.49 -0.0125 -0.012 -0.48 -0.6886 -1.0 3071452 PK04_107316 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P21 compound treatment -0.006 -0.00612 -0.25 -0.0215 -0.021 -0.84 -0.7721 -0.8778 3187729 PK04_107317 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P22 compound treatment -0.008 -0.00808 -0.33 -0.0125 -0.012 -0.48 -0.5736 -0.982 3187730 PK04_107318 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P23 compound treatment -0.009 -0.00908 -0.37 -0.0295 -0.029 -1.17 -1.0842 -0.8873 3071453 PK04_107319 CC(=O)OC(CC=C)[C@@H]1[C@@H](N(Cc2ccc(cc2)c3ccccc3)C(=O)c4ccc(C)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc(cc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2107 P24 compound treatment 0.003 0.00292 0.12 0.0185 0.019 0.76 0.6229 0.8073 3187731 PK04_107320 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A01 compound treatment -0.0477 -0.0483 -1.96 -0.0539 -0.0537 -2.16 -2.9108 -0.9988 3187732 PK04_108001 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A02 compound treatment -0.0417 -0.0423 -1.72 -0.0539 -0.0537 -2.16 -2.7376 -0.9936 3071454 PK04_108002 CCC1=C2CN(Cc3ccccc3Br)[C@@H]([C@@H](O)Cc4ccccc4)C2C=CCC1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A03 compound treatment -0.0617 -0.0623 -2.53 -0.0459 -0.0457 -1.84 -3.0842 -0.9877 3187733 PK04_108003 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A04 compound treatment -0.0597 -0.0603 -2.44 -0.0499 -0.0497 -2.0 -3.1404 -0.995 3071455 PK04_108004 CCC1=C2CN(Cc3ccccc3)[C@H](C2C=CCC1)C(=O)Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A05 compound treatment -0.0307 -0.0313 -1.27 -0.0369 -0.0367 -1.47 -1.9406 -0.9972 3187734 PK04_108005 CCOC(=O)C[C@H]1[C@H](OC(=O)Cc2ccc3OCOc3c2)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A06 compound treatment -0.0337 -0.0343 -1.39 -0.0399 -0.0397 -1.6 -2.1109 -0.9976 3071456 PK04_108006 C/C=C\[C@@H](NCc1ccccc1Br)[C@@H](O)Cc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A07 compound treatment -0.0737 -0.0743 -3.01 -0.0419 -0.0417 -1.68 -3.3147 -0.9617 3187735 PK04_108007 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A08 compound treatment -0.0477 -0.0483 -1.96 -0.0269 -0.0267 -1.07 -2.1432 -0.9599 3071457 PK04_108008 CC(=CCN[C@H](CO)c1ccccc1)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A09 compound treatment -0.0327 -0.0333 -1.35 -0.0519 -0.0517 -2.08 -2.423 -0.9782 3187736 PK04_108009 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A10 compound treatment -0.0467 -0.0473 -1.92 -0.0419 -0.0417 -1.68 -2.5405 -0.9977 3071458 PK04_108010 CC(=CCN(CC#C)[C@H](CO)c1ccccc1)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A11 compound treatment -0.0347 -0.0353 -1.43 -0.0339 -0.0337 -1.35 -1.9692 -0.9996 3071459 PK04_108011 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A12 compound treatment -0.0287 -0.0293 -1.19 -0.0289 -0.0287 -1.15 -1.6552 -0.9999 3187737 PK04_108012 CC(=CCN(CC#Cc1ccccc1)[C@H](CO)c2ccccc2)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A13 mock treatment -0.0507 -0.0513 -2.08 -0.0499 -0.0497 -2.0 -2.8824 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A14 mock treatment -0.0497 -0.0503 -2.04 -0.0589 -0.0587 -2.36 -3.1093 -0.9974 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A15 compound treatment -0.0537 -0.0543 -2.2 -0.0479 -0.0477 -1.92 -2.9116 -0.9976 3187738 PK04_108013 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A16 compound treatment -0.0397 -0.0403 -1.63 -0.0409 -0.0407 -1.64 -2.3114 -1.0 3071460 PK04_108014 O=C1OC[C@@H](c2ccccc2)n3cc(/C=C/c4ccccc4)cc13 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A17 compound treatment -0.0537 -0.0543 -2.2 -0.0419 -0.0417 -1.67 -2.7401 -0.9909 3187739 PK04_108015 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A18 compound treatment -0.0527 -0.0533 -2.16 -0.0479 -0.0477 -1.92 -2.883 -0.9982 3071461 PK04_108016 CC(=C)C/1CN([C@H](CO)c2ccccc2)C(=O)\C1=C/c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A19 compound treatment -0.0507 -0.0513 -2.08 -0.0489 -0.0487 -1.96 -2.8529 -0.9995 3187740 PK04_108017 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A20 compound treatment -0.0607 -0.0613 -2.48 -0.0499 -0.0497 -2.0 -3.1691 -0.9941 3071462 PK04_108018 OCC(/C=C/c1ccccc1)N(CC#C)C(C(=O)O)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A21 compound treatment -0.0447 -0.0453 -1.84 -0.0579 -0.0577 -2.32 -2.9364 -0.9934 3187741 PK04_108019 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A22 compound treatment -0.0547 -0.0553 -2.24 -0.0539 -0.0537 -2.16 -3.1095 -0.9998 3071463 PK04_108020 C/C=C/CN([C@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)C#Cc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A23 compound treatment -0.0487 -0.0493 -2.0 -0.0449 -0.0447 -1.79 -2.6819 -0.9986 3187742 PK04_108021 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 A24 compound treatment -0.0597 -0.0603 -2.44 -0.0599 -0.0597 -2.4 -3.4233 -1.0 3071464 PK04_108022 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B01 compound treatment -0.0107 -0.0113 -0.46 -9.0E-4 -7.32E-4 -0.03 -0.3456 -0.7508 2133065 PK04_108023 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B02 compound treatment -0.0187 -0.0193 -0.78 -0.0209 -0.0207 -0.83 -1.1401 -0.9995 3071465 PK04_108024 CCCCNC(=O)c1ccc(C#CC(C)(C)C)c(OC(=O)C)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B03 compound treatment -0.0348 -0.0354 -1.43 -0.0219 -0.0217 -0.87 -1.6299 -0.9715 2133224 PK04_108025 CCCCC(=O)N(Cc1ccccc1F)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B04 compound treatment -0.0338 -0.0344 -1.39 -0.0149 -0.0147 -0.59 -1.4022 -0.9268 1952196 PK04_108026 CCCCNC(=O)c1ccc(C#C[Si](C)(C)C)c(OC(=O)C)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B05 compound treatment -0.0157 -0.0163 -0.66 1.0E-4 3.18E-4 0.01 -0.4586 -0.6933 2133510 PK04_108027 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCc3cccc(F)c3)C(=O)CCC4CCCC4)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B06 compound treatment -0.0227 -0.0234 -0.95 -0.0219 -0.0217 -0.87 -1.2858 -0.9991 3071510 PK04_108028 CCCCNC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC(=O)C)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B07 compound treatment -0.0318 -0.0324 -1.31 -0.0139 -0.0137 -0.55 -1.3167 -0.9255 2128988 PK04_108029 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H]3O[C@@H]32)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B08 compound treatment 0.0123 0.0117 0.48 0.0111 0.0113 0.45 0.6564 0.9997 3187870 PK04_108030 COC(=O)C[C@H]1O[C@@H](CCc2ccccc2)[C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B09 compound treatment 0.0203 0.0197 0.8 0.0171 0.0173 0.7 1.057 0.9976 3187871 PK04_108031 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)N(Cc3ccco3)C(=O)Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B10 compound treatment 0.0143 0.0137 0.55 0.0191 0.0193 0.78 0.9403 0.9865 3071511 PK04_108032 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(Cc4ccccc4)c5ccc(I)cc52 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B11 compound treatment -0.0057 -0.00633 -0.26 -0.004 -0.00373 -0.15 -0.2874 -0.9672 2129008 PK04_108033 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)NCc3ccc(F)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B12 compound treatment 0.0233 0.0227 0.92 0.0281 0.0283 1.14 1.4546 0.9946 3187872 PK04_108034 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc52 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B13 mock treatment 0.0073 0.00667 0.27 0.0091 0.00927 0.37 0.4545 0.9877 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B14 mock treatment 3.0E-4 -3.28E-4 -0.01 0.0181 0.0183 0.73 0.5096 0.6942 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B15 compound treatment -7.0E-4 -0.00133 -0.05 0.005 0.00527 0.21 0.1115 0.5109 3187873 PK04_108035 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CCC\C=C\CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B16 compound treatment -0.0027 -0.00333 -0.13 0.0131 0.0133 0.53 0.2813 0.5118 3414061 PK04_108036 COC(=O)C[C@@H]1C[C@H](C)[C@]2(O1)C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B17 compound treatment -7.0E-4 -0.00133 -0.05 0.0171 0.0173 0.69 0.4526 0.6503 3187874 PK04_108037 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CCC\C=C\CNC(=O)[C@@H](Cc5ccccc5)NC(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B18 compound treatment 0.0043 0.00367 0.15 0.0231 0.0233 0.93 0.7664 0.8096 3071513 PK04_108038 CC(C)[Si](OCC[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)O)C(=O)N(Cc3ccccc3)c4ccccc42)(C(C)C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B19 compound treatment -7.0E-4 -0.00133 -0.05 1.0E-4 2.68E-4 0.01 -0.0305 -0.555 3187875 PK04_108039 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CCC\C=C\CNC(=O)[C@@H]5CCCN5C(=O)CNC4=O)[C@@H]6O[C@@]61C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B20 compound treatment 0.0093 0.00867 0.35 0.0201 0.0203 0.82 0.8254 0.9293 3071514 PK04_108040 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccccc53 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B21 compound treatment 0.0143 0.0137 0.55 0.0161 0.0163 0.65 0.8552 0.9966 3187876 PK04_108041 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/CC\C=C\CNC(=O)[C@@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B22 compound treatment -0.0057 -0.00628 -0.25 0.0081 0.00831 0.33 0.0559 0.1332 3071515 PK04_108042 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(C)cc3)C(=O)N(C)c4ccccc42 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B23 compound treatment -0.0017 -0.00231 -0.09 0.0231 0.0233 0.94 0.5957 0.6333 3187877 PK04_108043 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC(=O)[C@@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 B24 compound treatment 0.0093 0.00867 0.35 0.0241 0.0243 0.98 0.939 0.9049 3071516 PK04_108044 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(C)c4ccccc42 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C01 compound treatment -0.0097 -0.0103 -0.42 -0.001 -7.32E-4 -0.03 -0.3169 -0.7549 3187878 PK04_108045 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C02 compound treatment -0.0087 -0.00933 -0.38 -0.006 -0.00574 -0.23 -0.4304 -0.9717 3071464 PK04_108046 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C03 compound treatment -0.0057 -0.00633 -0.26 -0.0129 -0.0127 -0.51 -0.5427 -0.9493 3187879 PK04_108047 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C04 compound treatment -0.0087 -0.00933 -0.38 0.001 0.00127 0.05 -0.2315 -0.6065 3071517 PK04_108048 CC(=C)C1C(=C)CN([C@H](CO)c2ccccc2)C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C05 compound treatment -0.0107 -0.0113 -0.46 0.0131 0.0133 0.53 0.0533 0.076 3071518 PK04_108049 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C06 compound treatment 0.0013 6.73E-4 0.03 -0.008 -0.00773 -0.31 -0.2003 -0.6424 3187880 PK04_108050 CC(C)(C)OC(=O)N(CC#C)[C@H](CO)c1ccccc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C07 compound treatment -0.0057 -0.00636 -0.26 -0.011 -0.0107 -0.43 -0.4871 -0.9698 3187881 PK04_108051 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C08 compound treatment 0.0163 0.0157 0.64 0.0151 0.0153 0.61 0.8847 0.9998 3071519 PK04_108052 CC(=CCN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C09 compound treatment 0.0093 0.00867 0.35 0.006 0.00627 0.25 0.4267 0.9865 3187882 PK04_108053 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C10 compound treatment 0.0183 0.0177 0.72 0.0071 0.00731 0.29 0.7157 0.9219 3071520 PK04_108054 OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C11 mock treatment 0.0013 6.72E-4 0.03 0.006 0.00627 0.25 0.1973 0.7792 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C12 mock treatment 0.0013 6.71E-4 0.03 0.005 0.00527 0.21 0.1688 0.7916 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C13 compound treatment 3.0E-4 -3.28E-4 -0.01 -0.005 -0.00474 -0.19 -0.1439 -0.7547 3187883 PK04_108055 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C14 compound treatment -0.0077 -0.00833 -0.34 -0.001 -7.35E-4 -0.03 -0.2597 -0.766 3071521 PK04_108056 CC(C)(C)[Si](C)(C)OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C15 mock treatment 0.0013 6.73E-4 0.03 -0.0039 -0.00373 -0.15 -0.0867 -0.5689 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C16 mock treatment -0.0177 -0.0184 -0.74 0.005 0.00527 0.21 -0.3768 -0.4869 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C17 compound treatment 0.0093 0.00872 0.35 0.0101 0.0103 0.41 0.5417 0.9971 3188001 PK04_108057 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C18 compound treatment 0.0143 0.0137 0.56 0.0101 0.0103 0.41 0.6853 0.9892 3071522 PK04_108058 O=C1OC[C@H](N2CC(=CC21)/C=C/c3ccccc3)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C19 compound treatment 0.0033 0.00269 0.11 -0.001 -7.32E-4 -0.03 0.0564 0.4988 3188002 PK04_108059 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C20 compound treatment 0.0053 0.00467 0.19 0.007 0.00727 0.29 0.3404 0.9781 3071523 PK04_108060 OCC(/C=C/c1ccccc1)N(CC#C)Cc2ccccc2Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C21 compound treatment 0.0093 0.00872 0.35 0.0021 0.00227 0.09 0.3145 0.8611 3188003 PK04_108061 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C22 compound treatment -0.0037 -0.00433 -0.18 0.0031 0.00327 0.13 -0.0313 -0.1429 3071524 PK04_108062 OCC1C=C(CN1Cc2ccccc2Br)/C=C/c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C23 compound treatment -0.0057 -0.00628 -0.25 0.0 2.68E-4 0.01 -0.1724 -0.6767 3188004 PK04_108063 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 C24 compound treatment -0.0017 -0.00233 -0.09 0.0111 0.0113 0.45 0.2532 0.5477 3071525 PK04_108064 CCOC(=O)C1OC[C@H](N1CC#C)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D01 compound treatment -0.0067 -0.00728 -0.3 -0.0099 -0.00972 -0.39 -0.4848 -0.9905 3188005 PK04_108065 CC(C)C[C@@H]1NC(=O)C(NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)[C@@H](C)OCc6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D02 compound treatment -0.0077 -0.00831 -0.34 -0.0039 -0.00368 -0.15 -0.3428 -0.9317 3414062 PK04_108066 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccccc3)C(=O)N(C)c4ccccc42 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D03 compound treatment -0.0157 -0.0163 -0.66 -0.0099 -0.00972 -0.39 -0.7437 -0.9684 3188006 PK04_108067 CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D04 compound treatment 0.0083 0.00764 0.31 -0.0149 -0.0147 -0.59 -0.1978 -0.2969 3071527 PK04_108068 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D05 compound treatment -0.0027 -0.00328 -0.13 -0.0079 -0.00772 -0.31 -0.3133 -0.9285 3188007 PK04_108069 CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D06 compound treatment -0.0097 -0.0103 -0.42 -0.0059 -0.00572 -0.23 -0.4581 -0.9603 3071528 PK04_108070 CCOC(=O)[C@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@@H]2O[Si](C)(C)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D07 compound treatment 3.0E-4 -3.28E-4 -0.01 -0.002 -0.00174 -0.07 -0.0587 -0.827 3188008 PK04_108071 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CC\C=C\CNC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D08 compound treatment 0.0013 6.92E-4 0.03 -0.001 -7.32E-4 -0.03 -9.0E-4 -0.0232 3071529 PK04_108072 CCOC(=O)[C@@H]1CC2O[C@@]32C[C@@H]1C(=O)N4CCC[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D09 compound treatment -0.0127 -0.0133 -0.54 -0.001 -7.32E-4 -0.03 -0.4024 -0.7445 3188009 PK04_108073 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)CNC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D10 compound treatment 0.0023 0.00169 0.07 -0.0079 -0.00768 -0.31 -0.1696 -0.5367 3071530 PK04_108074 CCOC(=O)[C@H]1C[C@H]2O[C@]32C[C@H]1C(=O)N4CCCC4[C@@H]3O[Si](C)(C)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D11 mock treatment 0.0063 0.00567 0.23 0.0081 0.00831 0.33 0.3986 0.9835 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D12 mock treatment -0.0047 -0.00531 -0.22 -0.0099 -0.00968 -0.39 -0.4272 -0.9611 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D13 compound treatment -0.0157 -0.0163 -0.66 -0.0069 -0.00672 -0.27 -0.6577 -0.9222 3188010 PK04_108075 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D14 compound treatment -0.0017 -0.00233 -0.09 -0.0199 -0.0197 -0.79 -0.6268 -0.7858 3071531 PK04_108076 CCOC(=O)[C@@H]1[C@@H]2CN(CCC2=C[C@@H]3[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]4CCCN4C(=O)[C@@H]13)S(=O)(=O)c5ccc(C)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D15 mock treatment -0.0087 -0.00928 -0.38 -0.0129 -0.0127 -0.51 -0.6273 -0.9887 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D16 mock treatment 0.0043 0.00367 0.15 -0.005 -0.00473 -0.19 -0.0291 -0.1203 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D17 compound treatment 0.0083 0.00767 0.31 -0.0129 -0.0127 -0.51 -0.1413 -0.2362 3071578 PK04_108077 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D18 compound treatment -0.0257 -0.0264 -1.07 -0.0279 -0.0277 -1.11 -1.5422 -0.9998 3071579 PK04_108078 O=C1C=C(C(=O)C2=C1CC(=CC2)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D19 compound treatment 3.0E-4 -3.28E-4 -0.01 -0.0069 -0.00668 -0.27 -0.1992 -0.7412 3071580 PK04_108079 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc6ccccc6)NC2=O)[C@@H]7O[C@]7(C)[C@H]4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D20 compound treatment -0.1087 -0.109 -4.43 -0.0949 -0.0947 -3.8 -5.8232 -0.9971 3188011 PK04_108080 O=C1C=C(C(=O)c2ccc(cc12)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D21 compound treatment 0.0013 6.73E-4 0.03 -0.0159 -0.0157 -0.63 -0.4272 -0.6759 3188012 PK04_108081 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D22 compound treatment -0.0057 -0.00631 -0.26 0.0091 0.00931 0.37 0.0834 0.1842 3071581 PK04_108082 O=C1C2CC=C(CC2C(=O)c3ccccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D23 compound treatment 0.0032 0.00264 0.11 0.0011 0.00132 0.05 0.1132 0.9471 3188013 PK04_108083 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 D24 compound treatment 0.0063 0.00572 0.23 0.006 0.00626 0.25 0.342 0.9992 3071582 PK04_108084 O=C1c2ccccc2C(=O)c3cc(ccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E01 mock treatment 0.0033 0.00267 0.11 -0.005 -0.00473 -0.19 -0.0578 -0.264 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E02 mock treatment 0.0123 0.0117 0.48 0.0071 0.00728 0.29 0.5428 0.9727 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E03 compound treatment 0.0043 0.00369 0.15 -0.005 -0.00474 -0.19 -0.0286 -0.1181 3188014 PK04_108085 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E04 compound treatment 0.0343 0.0336 1.36 0.0151 0.0153 0.61 1.3994 0.9352 3071583 PK04_108086 C/C=C/CN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E05 compound treatment 0.0143 0.0137 0.56 0.0171 0.0173 0.69 0.8841 0.994 3188015 PK04_108087 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E06 compound treatment 0.0143 0.0137 0.56 0.0091 0.00928 0.37 0.657 0.981 3071584 PK04_108088 OCC(NCC#C)/C=C/c1ccccc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E07 compound treatment 0.0113 0.0107 0.43 0.0081 0.00832 0.33 0.5437 0.9915 3188129 PK04_108089 CCOC(=O)C[C@H]1[C@H](OC(=O)c2cc3ccccc3oc2=O)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E08 compound treatment 0.0133 0.0127 0.52 0.0171 0.0173 0.7 0.8566 0.9892 3071585 PK04_108090 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E09 mock treatment 0.0113 0.0107 0.43 0.0121 0.0123 0.49 0.6547 0.9979 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E10 mock treatment 0.0263 0.0257 1.04 0.0211 0.0213 0.85 1.3418 0.9951 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E11 compound treatment 0.0193 0.0187 0.76 -0.006 -0.00574 -0.23 0.374 0.4714 3071586 PK04_108091 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E12 compound treatment 0.0063 0.00572 0.23 0.0141 0.0143 0.57 0.5707 0.9204 3188130 PK04_108092 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E13 compound treatment 0.0073 0.00669 0.27 0.0121 0.0123 0.49 0.5417 0.9601 3188131 PK04_108093 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E14 compound treatment 0.0073 0.00669 0.27 0.001 0.00127 0.05 0.2279 0.8253 3071587 PK04_108094 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E15 compound treatment 0.0103 0.00972 0.39 0.0161 0.0163 0.66 0.7422 0.9704 3188132 PK04_108095 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E16 compound treatment 0.0123 0.0117 0.48 0.0021 0.00232 0.09 0.402 0.8298 3071588 PK04_108096 BrC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E17 mock treatment 0.0303 0.0297 1.21 0.006 0.00627 0.25 1.0303 0.8367 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E18 mock treatment 0.0083 0.00772 0.31 0.0171 0.0173 0.69 0.7121 0.9354 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E19 compound treatment 0.0013 6.72E-4 0.03 0.0061 0.00628 0.25 0.1975 0.779 3188133 PK04_108097 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E20 compound treatment 0.0133 0.0127 0.51 -0.0029 -0.00268 -0.11 0.2878 0.5473 3071589 PK04_108098 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E21 compound treatment 0.0223 0.0217 0.88 0.0141 0.0143 0.57 1.028 0.9783 3188134 PK04_108099 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E22 compound treatment 0.0143 0.0137 0.56 0.0221 0.0223 0.89 1.0261 0.9739 3071590 PK04_108100 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E23 compound treatment 0.0143 0.0137 0.55 0.0101 0.0103 0.41 0.6836 0.9894 3188135 PK04_108101 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 E24 compound treatment 0.0223 0.0217 0.88 0.0141 0.0143 0.57 1.0283 0.9784 3071591 PK04_108102 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F01 mock treatment -0.0107 -0.0113 -0.46 -0.008 -0.00773 -0.31 -0.543 -0.9822 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F02 mock treatment -0.0147 -0.0153 -0.62 -0.0179 -0.0177 -0.71 -0.9422 -0.9977 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F03 compound treatment -0.0047 -0.00533 -0.22 -0.0039 -0.00373 -0.15 -0.2587 -0.984 3188136 PK04_108103 CC(C)C[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H]6O[C@]6(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F04 compound treatment 0.0033 0.00267 0.11 -0.004 -0.00373 -0.15 -0.0294 -0.1587 3071592 PK04_108104 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F05 compound treatment -0.0017 -0.00228 -0.09 0.0101 0.0103 0.41 0.2263 0.5354 3188137 PK04_108105 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H](C)NC4=O)[C@@H]6O[C@@]61C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F06 compound treatment 0.0113 0.0106 0.43 0.001 0.00127 0.05 0.3411 0.7849 3071592 PK04_108106 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F07 compound treatment -0.0017 -0.00233 -0.09 1.0E-4 2.68E-4 0.01 -0.0591 -0.6226 3071593 PK04_108107 CC(C)[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F08 compound treatment 0.0093 0.00867 0.35 0.0161 0.0163 0.65 0.711 0.9577 3188138 PK04_108108 Cc1ccc(cc1)S(=O)(=O)N(CCC=C)CC#C[C@H]2Oc3ccccc3S(=O)(=O)N4CCC[C@@H]24 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F09 mock treatment 0.0092 0.00864 0.35 -0.0059 -0.00572 -0.23 0.0853 0.2036 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F10 mock treatment 0.0133 0.0126 0.51 0.0101 0.0103 0.41 0.6552 0.9944 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F11 compound treatment 0.0043 0.00367 0.15 -0.0049 -0.00472 -0.19 -0.0288 -0.1194 3188139 PK04_108109 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F12 compound treatment -7.0E-4 -0.00133 -0.05 0.005 0.00527 0.21 0.1115 0.5109 3071594 PK04_108110 O=S1(=O)N2CCC[C@H]2[C@H](Oc3ccccc31)C#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F13 compound treatment 0.0083 0.00767 0.31 0.0061 0.00628 0.25 0.3983 0.9946 3188140 PK04_108111 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](C)NC(=O)[C@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F14 compound treatment 0.0173 0.0167 0.68 0.001 0.00127 0.05 0.5155 0.758 3414064 PK04_108112 O=S1(=O)N2CCC[C@@H]2[C@@H](Oc3ccccc31)C#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F15 compound treatment 0.0083 0.00772 0.31 -0.0069 -0.00673 -0.27 0.0303 0.0731 3071596 PK04_108113 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@H](C)NC(=O)[C@@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F16 compound treatment 0.0143 0.0137 0.56 0.0121 0.0123 0.49 0.7419 0.9982 3188141 PK04_108114 C=CC(=C)[C@H]1Oc2ccccc2S(=O)(=O)N3CCC[C@@H]13 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F17 mock treatment 0.0123 0.0117 0.48 0.0021 0.00227 0.09 0.4005 0.8275 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F18 mock treatment 0.0153 0.0147 0.6 0.009 0.00926 0.37 0.6853 0.9741 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F19 compound treatment 0.0053 0.00467 0.19 0.0081 0.00827 0.33 0.3688 0.9646 3188142 PK04_108115 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F20 compound treatment 0.0273 0.0267 1.08 0.0281 0.0283 1.14 1.5693 0.9997 3071597 PK04_108116 Cc1ccc(cc1)S(=O)(=O)NC/C=C\C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F21 compound treatment 0.0163 0.0157 0.64 0.0101 0.0103 0.41 0.7424 0.9778 3188143 PK04_108117 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC(=O)[C@H](Cc5ccccc5)NC4=O)[C@@H]6O[C@@]61C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F22 compound treatment 0.0193 0.0187 0.76 0.0111 0.0113 0.45 0.8579 0.9698 3071598 PK04_108118 Cc1ccc(cc1)S(=O)(=O)NC/C=C/C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F23 compound treatment -0.0037 -0.00431 -0.17 0.0131 0.0133 0.53 0.2544 0.4524 3188144 PK04_108119 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC4=O)[C@@H]5O[C@@]51C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 F24 compound treatment 0.0253 0.0247 1.0 0.0101 0.0103 0.41 1.0005 0.9229 3188260 PK04_108120 CC(=O)O[C@@H]([C@@H]1CCCN1S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=C)C3=CCN(C3)S(=O)(=O)c4ccc(C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G01 compound treatment -0.0127 -0.0133 -0.54 -0.0079 -0.00773 -0.31 -0.6003 -0.9658 3071599 PK04_108121 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G02 compound treatment 0.0043 0.00367 0.15 0.004 0.00427 0.17 0.2265 0.9975 3188261 PK04_108122 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3cccc(C)c3)C(=O)[C@@]42CO4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G03 mock treatment -7.0E-4 -0.00133 -0.05 -0.011 -0.0107 -0.43 -0.3428 -0.7893 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G04 mock treatment 0.0043 0.00367 0.15 0.0051 0.00528 0.21 0.2552 0.9851 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G05 compound treatment 3.0E-4 -3.08E-4 -0.01 -0.0129 -0.0127 -0.51 -0.3693 -0.7242 3188262 PK04_108123 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G06 compound treatment 0.0023 0.00167 0.07 -0.013 -0.0127 -0.51 -0.3136 -0.608 3071600 PK04_108124 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(OC)C(=O)[C@@]43CO4)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G07 compound treatment 0.0043 0.00372 0.15 0.0081 0.00832 0.33 0.3429 0.9356 3189036 PK04_108125 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G08 compound treatment -0.0017 -0.00233 -0.09 0.0051 0.00528 0.21 0.0832 0.3584 3071601 PK04_108126 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G09 compound treatment 0.0103 0.00972 0.39 0.001 0.00126 0.05 0.3147 0.7916 3188263 PK04_108127 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G10 compound treatment 0.0133 0.0127 0.52 0.0131 0.0133 0.53 0.7416 0.9999 3071602 PK04_108128 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G11 compound treatment -0.0037 -0.00433 -0.18 0.0021 0.00227 0.09 -0.0597 -0.302 3188264 PK04_108129 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G12 compound treatment -0.0117 -0.0123 -0.5 -0.0069 -0.00669 -0.27 -0.5435 -0.9576 3071603 PK04_108130 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G13 compound treatment -0.0257 -0.0263 -1.07 -0.019 -0.0187 -0.75 -1.2855 -0.9855 3188265 PK04_108131 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)Cc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G14 compound treatment 3.0E-4 -3.08E-4 -0.01 -0.0029 -0.00273 -0.11 -0.0864 -0.7825 3071604 PK04_108132 CCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G15 compound treatment 0.0033 0.00269 0.11 -0.001 -7.35E-4 -0.03 0.0563 0.4979 3188266 PK04_108133 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)Cc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G16 compound treatment -0.0138 -0.0144 -0.58 0.001 0.00127 0.05 -0.3757 -0.6428 3071651 PK04_108134 IC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G17 compound treatment 0.0083 0.00772 0.31 0.0171 0.0173 0.69 0.7121 0.9354 3188267 PK04_108135 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)Cc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G18 compound treatment 0.0023 0.00172 0.07 0.0081 0.00828 0.33 0.2845 0.8374 3071652 PK04_108136 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G19 mock treatment -0.0057 -0.00633 -0.26 1.0E-4 2.68E-4 0.01 -0.1738 -0.6769 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G20 mock treatment -0.0017 -0.00233 -0.09 -0.0069 -0.00673 -0.27 -0.2579 -0.9007 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G21 compound treatment -0.0027 -0.00333 -0.13 0.008 0.00827 0.33 0.1394 0.3889 3189164 PK04_108137 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccccc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G22 compound treatment -0.0077 -0.00833 -0.34 0.0021 0.00227 0.09 -0.1744 -0.4985 3071653 PK04_108138 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G23 compound treatment 0.0033 0.00267 0.11 0.0091 0.00927 0.37 0.3398 0.8766 3189167 PK04_108139 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)Cc4ccc(OC)cc4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 G24 compound treatment -0.0027 -0.00333 -0.13 -0.0089 -0.00872 -0.35 -0.3431 -0.914 3188268 PK04_108140 CCCCO[C@H]1C[C@H]2C(=C[C@]1(CO)C(=O)[C@@]32CO3)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H01 compound treatment -0.0117 -0.0123 -0.5 -0.0019 -0.00173 -0.07 -0.4013 -0.7982 3188269 PK04_108141 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H02 compound treatment 0.0053 0.00464 0.19 -0.0199 -0.0197 -0.79 -0.4258 -0.524 3071654 PK04_108142 [O-][N+](=O)c1ccccc1S(=O)(=O)N2CCC[C@@H]2[C@H]3OCC=C3C(=C)C=C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H03 mock treatment -0.0187 -0.0193 -0.78 -0.0119 -0.0117 -0.47 -0.8854 -0.97 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H04 mock treatment -0.0457 -0.0463 -1.88 -0.0469 -0.0467 -1.88 -2.6538 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H05 compound treatment 0.0023 0.00167 0.07 0.001 0.00127 0.05 0.084 0.99 3188270 PK04_108143 CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H06 compound treatment -0.0087 -0.00931 -0.38 -0.0229 -0.0227 -0.91 -0.9122 -0.9237 3071655 PK04_108144 CN1C(=O)C2CC=C(CC2C1=O)C3=CCO[C@@H]3[C@H]4CCCN4S(=O)(=O)c5ccccc5[N+](=O)[O-] 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H07 compound treatment 0.0033 0.00267 0.11 -0.0149 -0.0147 -0.59 -0.3414 -0.568 3188271 PK04_108145 CC(C)C[C@H]1NC(=O)CNC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H08 compound treatment -0.0067 -0.00733 -0.3 -0.0249 -0.0247 -0.99 -0.911 -0.8804 3071656 PK04_108146 CN1C(=C)C2CC3C4C(C5CO[C@H]([C@H]6CCCN6S(=O)(=O)c7ccccc7[N+](=O)[O-])C5=C3CC2C1=O)C(=O)N(C)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H09 compound treatment -0.0077 -0.00828 -0.34 0.004 0.00426 0.17 -0.1163 -0.3085 3188272 PK04_108147 CC(C)C[C@H]1NC(=O)C(NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)[C@@H](C)OCc6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H10 compound treatment -0.0027 -0.00331 -0.13 -0.015 -0.0147 -0.59 -0.5132 -0.8459 3071529 PK04_108148 CCOC(=O)[C@@H]1CC2O[C@@]32C[C@@H]1C(=O)N4CCC[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H11 compound treatment -0.0037 -0.00428 -0.17 -0.0039 -0.00372 -0.15 -0.2284 -0.9973 3188273 PK04_108149 CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC1=O)[C@@H]6O[C@]6(C)[C@H]4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H12 compound treatment -0.0037 -0.00433 -0.18 -0.0049 -0.00473 -0.19 -0.2585 -0.9992 3071527 PK04_108150 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H13 compound treatment -0.0267 -0.0273 -1.11 -0.008 -0.00773 -0.31 -1.0018 -0.8719 3071658 PK04_108151 CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H14 compound treatment -0.0297 -0.0303 -1.23 -0.0299 -0.0297 -1.19 -1.7123 -0.9999 3188274 PK04_108152 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H15 compound treatment -0.0057 -0.00633 -0.26 -0.0079 -0.00773 -0.31 -0.401 -0.9955 3188275 PK04_108153 CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H16 compound treatment -0.0077 -0.00833 -0.34 -0.004 -0.00373 -0.15 -0.3448 -0.9332 3071661 PK04_108154 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H17 compound treatment -0.0097 -0.0103 -0.42 0.008 0.00827 0.33 -0.0599 -0.1125 3188391 PK04_108155 CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H18 compound treatment -0.0107 -0.0113 -0.46 -0.0159 -0.0157 -0.63 -0.7699 -0.9875 3071664 PK04_108156 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)N(Cc6ccccc6)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H19 mock treatment -0.0107 -0.0113 -0.46 -0.001 -7.32E-4 -0.03 -0.3442 -0.751 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H20 mock treatment -0.0097 -0.0103 -0.42 -0.0029 -0.00273 -0.11 -0.3723 -0.8638 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H21 compound treatment -0.0027 -0.00333 -0.13 -0.0029 -0.00273 -0.11 -0.173 -0.9947 3188392 PK04_108157 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)CNC4=O)[C@@H]6O[C@@]61C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H22 compound treatment -0.0057 -0.00633 -0.26 -0.0019 -0.00173 -0.07 -0.2307 -0.8675 3071666 PK04_108158 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H23 compound treatment 3.0E-4 -3.28E-4 -0.01 -0.0029 -0.00272 -0.11 -0.0867 -0.7872 3188393 PK04_108159 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@@H]6CCCN6C2=O)[C@@H]7O[C@]7(C)[C@H]4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 H24 compound treatment 0.0013 6.72E-4 0.03 0.0091 0.00927 0.37 0.2825 0.7569 3071711 PK04_108160 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I01 compound treatment -0.0107 -0.0113 -0.46 -0.0039 -0.00373 -0.15 -0.4308 -0.8915 3188394 PK04_108161 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5n4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I02 compound treatment 3.0E-4 -3.28E-4 -0.01 -0.006 -0.00574 -0.23 -0.1723 -0.7467 3071714 PK04_108162 OC[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I03 compound treatment 0.0083 0.00772 0.31 0.0071 0.00728 0.29 0.4281 0.9994 3188395 PK04_108163 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc5ccccc5c4)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I04 compound treatment -0.0057 -0.00633 -0.26 -0.004 -0.00373 -0.15 -0.2874 -0.9672 3071715 PK04_108164 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I05 mock treatment 0.0043 0.00372 0.15 0.001 0.00127 0.05 0.1427 0.896 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I06 mock treatment 0.0013 6.92E-4 0.03 -0.0089 -0.00873 -0.35 -0.2281 -0.6484 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I07 compound treatment 0.0083 0.00769 0.31 -0.01 -0.00973 -0.39 -0.0558 -0.1116 3188396 PK04_108165 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)c4ccc(cc4)c5ccccc5)c6cc(OCCCO)ccc6N1C(=O)c7ccc8ccccc8n7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I08 compound treatment -0.0067 -0.00733 -0.3 0.001 0.00127 0.05 -0.1741 -0.5776 3071717 PK04_108166 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I09 compound treatment -0.0027 -0.00333 -0.13 0.0151 0.0153 0.61 0.3384 0.5387 3188397 PK04_108167 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)C4CCCCC4)c5cc(OCCCO)ccc5N1C(=O)c6ccc7ccccc7n6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I10 compound treatment 0.0123 0.0117 0.48 0.0081 0.00828 0.33 0.5712 0.9847 3071720 PK04_108168 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I11 compound treatment 0.0053 0.00469 0.19 -0.0089 -0.00869 -0.35 -0.1123 -0.2824 3188398 PK04_108169 CCOC(=O)C[C@H]1[C@H](OC(=O)c2ccccc2c3ccccc3)[C@@H](NC(=O)CC(C)C)c4cc(OCCCO)ccc4N1C(=O)c5ccc6ccccc6n5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I12 compound treatment -0.0347 -0.0353 -1.43 -0.0319 -0.0317 -1.27 -1.9124 -0.9983 3071724 PK04_108170 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@]4(CO4)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I13 compound treatment -0.0067 -0.00731 -0.3 -0.001 -7.32E-4 -0.03 -0.2303 -0.7735 3071725 PK04_108171 COC(=O)[C@H](Cc1ccc(O)cc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I14 compound treatment -0.0127 -0.0133 -0.54 -0.01 -0.00973 -0.39 -0.6585 -0.9873 3071727 PK04_108172 C[C@]12COC[C@@]2(C=C(Br)[C@@H]3C1)C(=O)[C@@]43CO4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I15 compound treatment 3.0E-4 -3.08E-4 -0.01 -0.008 -0.00773 -0.31 -0.2284 -0.7349 3188399 PK04_108173 COC(=O)[C@H](Cc1ccc(O)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I16 compound treatment -0.0018 -0.00236 -0.1 -0.006 -0.00573 -0.23 -0.2304 -0.9242 3071766 PK04_108174 CCCCC[C@H]1OC[C@@]2(C=C(Br)[C@@H]3CC12)C(=O)[C@@]43CO4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I17 compound treatment -7.0E-4 -0.00131 -0.05 0.0211 0.0213 0.85 0.5667 0.662 3188400 PK04_108175 COC(=O)[C@H](Cc1ccc(OCC#C)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I18 compound treatment -0.0077 -0.00833 -0.34 0.0171 0.0173 0.7 0.253 0.3272 3071767 PK04_108176 CC1(C)OC[C@@]2(C=C(Br)[C@@H]3C[C@H]12)C(=O)[C@@]43CO4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I19 compound treatment 0.0043 0.00372 0.15 -0.0269 -0.0267 -1.07 -0.6521 -0.6017 3188401 PK04_108177 Oc1ccc(C[C@@H]2N(CC#C)[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I20 compound treatment -0.0067 -0.00733 -0.3 0.0041 0.00428 0.17 -0.0887 -0.2583 3071770 PK04_108178 BrC1=C[C@]23COCC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I21 mock treatment -0.0047 -0.00533 -0.22 0.0131 0.0133 0.53 0.2243 0.3899 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I22 mock treatment 0.0123 0.0117 0.48 0.005 0.00527 0.21 0.4857 0.9335 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I23 compound treatment 0.0133 0.0127 0.52 0.0101 0.0103 0.41 0.6564 0.9938 3188402 PK04_108179 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccc(OCC#C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 I24 compound treatment -0.0187 -0.0194 -0.79 0.0021 0.00227 0.09 -0.4907 -0.6209 3071774 PK04_108180 C=CCC1=C[C@H]2[C@H]([C@H]3C=C[C@]2(CC=C)C(=O)[C@@]43CO4)[C@@]5(CO5)C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J01 compound treatment -0.0247 -0.0253 -1.03 -0.0279 -0.0277 -1.11 -1.5129 -0.9992 3188403 PK04_108181 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J02 compound treatment -0.0097 -0.0103 -0.42 -0.0339 -0.0337 -1.35 -1.2521 -0.8844 3071776 PK04_108182 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(Cc5ccccc5)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J03 compound treatment -0.0227 -0.0233 -0.94 -0.0269 -0.0267 -1.07 -1.4252 -0.998 3188404 PK04_108183 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@@H](C)NC4=O)[C@@H]6O[C@@]61C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J04 compound treatment -0.0077 -0.00833 -0.34 -0.0139 -0.0137 -0.55 -0.6285 -0.9724 3188405 PK04_108184 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J05 mock treatment -0.0217 -0.0223 -0.9 -0.006 -0.00573 -0.23 -0.8016 -0.8598 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J06 mock treatment -0.0097 -0.0103 -0.42 -0.0119 -0.0117 -0.47 -0.6276 -0.9982 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J07 compound treatment -0.0227 -0.0233 -0.94 -0.011 -0.0107 -0.43 -0.9723 -0.9369 3070928 PK04_108185 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)[C@H](C)NC4=O)[C@@H]6O[C@@]61C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J08 compound treatment -0.0067 -0.00728 -0.3 0.001 0.00127 0.05 -0.1727 -0.5766 3070929 PK04_108186 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(C)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J09 compound treatment -0.0147 -0.0153 -0.62 -0.0019 -0.00173 -0.07 -0.4873 -0.7816 3070930 PK04_108187 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C1=O)[C@@H]6O[C@]6(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J10 compound treatment -0.0047 -0.00528 -0.21 -0.0089 -0.00872 -0.35 -0.399 -0.9721 3188406 PK04_108188 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)COc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J11 compound treatment -0.0057 -0.00633 -0.26 -0.0199 -0.0197 -0.79 -0.7415 -0.8906 3188407 PK04_108189 CC(C)C[C@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C1=O)[C@@H]6O[C@]6(C)[C@H]3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J12 compound treatment -0.0137 -0.0143 -0.58 -0.0149 -0.0147 -0.59 -0.8289 -1.0 3070931 PK04_108190 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(C)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J13 compound treatment -0.0177 -0.0183 -0.74 -0.0269 -0.0267 -1.07 -1.283 -0.9837 3070932 PK04_108191 OCC(NC(=O)OCC1c2ccccc2-c3ccccc13)C=C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J14 compound treatment -0.0067 -0.00728 -0.3 -0.0169 -0.0167 -0.67 -0.6824 -0.9322 3070933 PK04_108192 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(C)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J15 compound treatment -0.0117 -0.0123 -0.5 0.001 0.00127 0.05 -0.3161 -0.6315 3188522 PK04_108193 COc1ccc(CN([C@H](COC(=O)OC(C)(C)C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J16 compound treatment -0.0107 -0.0113 -0.46 -0.0069 -0.00672 -0.27 -0.5143 -0.9684 3188523 PK04_108194 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(C)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J17 compound treatment -0.0107 -0.0113 -0.46 0.001 0.00127 0.05 -0.2874 -0.6245 3070934 PK04_108195 CC(=O)OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J18 compound treatment 0.0053 0.00464 0.19 0.0081 0.00831 0.33 0.369 0.9633 3188524 PK04_108196 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J19 compound treatment -0.0067 -0.00733 -0.3 -0.0119 -0.0117 -0.47 -0.543 -0.9754 3070935 PK04_108197 O=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J20 compound treatment 0.0053 0.00464 0.19 0.0181 0.0183 0.74 0.653 0.8604 3188525 PK04_108198 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J21 mock treatment 0.0083 0.00767 0.31 0.008 0.00827 0.33 0.4548 0.9995 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J22 mock treatment -0.0147 -0.0153 -0.62 0.0071 0.00731 0.29 -0.2314 -0.3371 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J23 compound treatment -0.0107 -0.0113 -0.46 -0.0029 -0.00268 -0.11 -0.4004 -0.8501 3070936 PK04_108199 C/C(=N\O)/C(=O)NCCCCCNC(=O)OCc1ccccc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 J24 compound treatment 0.0123 0.0117 0.47 0.0201 0.0203 0.81 0.9105 0.9667 3188526 PK04_108200 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@@H](CCc6ccccc6)O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K01 compound treatment -0.0197 -0.0203 -0.82 1.0E-4 2.68E-4 0.01 -0.5739 -0.6978 3070937 PK04_108201 COC(=O)[C@H](Cc1ccc(O)cc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K02 compound treatment -0.0698 -0.0704 -2.85 -0.004 -0.00373 -0.15 -2.1235 -0.7432 3188527 PK04_108202 CC1=C[C@]2(CO)C(=O)[C@]3(CO3)[C@H]1[C@@H]4[C@@]5(CO5)C(=O)C(=C[C@@]42C)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K03 compound treatment -0.0067 -0.00733 -0.3 -0.0019 -0.00173 -0.07 -0.2593 -0.8497 3188528 PK04_108203 Oc1ccc(C[C@@H]2N3CC4=CCCC=C[C@@H]4[C@H]3[C@@H](Cc5ccccc5)OC2=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K04 compound treatment -0.0127 -0.0134 -0.54 -0.0109 -0.0107 -0.43 -0.6867 -0.9934 3070938 PK04_108204 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K05 compound treatment 0.0093 0.00869 0.35 0.0031 0.00327 0.13 0.342 0.9094 3188529 PK04_108205 COC(=O)[C@H](Cc1ccccc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K06 compound treatment -0.0017 -0.00231 -0.09 -0.0129 -0.0127 -0.51 -0.4267 -0.8231 3070939 PK04_108206 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)c4ccccc4)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K07 mock treatment -0.0037 -0.00431 -0.17 -0.0269 -0.0267 -1.07 -0.8824 -0.8115 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K08 mock treatment 0.0023 0.00167 0.07 -0.0129 -0.0127 -0.51 -0.3133 -0.6079 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K09 compound treatment -7.0E-4 -0.00133 -0.05 -0.0119 -0.0117 -0.47 -0.3709 -0.7829 3188530 PK04_108207 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K10 compound treatment 0.0053 0.00467 0.19 0.004 0.00427 0.17 0.2552 0.9987 3188531 PK04_108208 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Oc4ccccc4)cc3)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K11 compound treatment -0.0027 -0.00336 -0.14 -0.0059 -0.00569 -0.23 -0.2579 -0.9694 3070940 PK04_108209 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K12 compound treatment -0.0087 -0.00931 -0.38 -0.0019 -0.00168 -0.07 -0.3147 -0.8206 3188532 PK04_108210 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)C(F)(F)F)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K13 compound treatment -0.0037 -0.00431 -0.17 -0.0179 -0.0177 -0.71 -0.6268 -0.8553 3188533 PK04_108211 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K14 compound treatment -0.0067 -0.00736 -0.3 0.0 2.68E-4 0.01 -0.2034 -0.6812 3070941 PK04_108212 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4[nH]ccc4c3)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K15 mock treatment -0.0018 -0.00236 -0.1 -0.0149 -0.0147 -0.59 -0.4857 -0.8109 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K16 mock treatment -0.0067 -0.00733 -0.3 0.0121 0.0123 0.49 0.1385 0.2406 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K17 compound treatment 0.0013 6.92E-4 0.03 -0.012 -0.0117 -0.47 -0.3133 -0.6638 3188534 PK04_108213 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K18 compound treatment -0.0027 -0.00333 -0.13 0.0141 0.0143 0.57 0.31 0.5263 3070942 PK04_108214 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3cccc4[nH]ccc34)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K19 compound treatment -0.0198 -0.0204 -0.83 -0.0179 -0.0177 -0.71 -1.0862 -0.9972 3188535 PK04_108215 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K20 compound treatment -0.0077 -0.00836 -0.34 -0.007 -0.00674 -0.27 -0.4309 -0.9938 3070943 PK04_108216 CC(C)Oc1ccc(cc1)C(=O)N2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K21 compound treatment -0.0047 -0.00533 -0.22 0.0061 0.00628 0.25 0.0255 0.0768 3188536 PK04_108217 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K22 compound treatment -0.0138 -0.0144 -0.58 -0.0059 -0.00569 -0.23 -0.5734 -0.9166 3188537 PK04_108218 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Br)cc3)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K23 mock treatment -7.0E-4 -0.00133 -0.05 0.0091 0.00927 0.37 0.2251 0.5986 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 K24 mock treatment 0.0113 0.0107 0.43 0.005 0.00527 0.21 0.4571 0.9452 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L01 compound treatment -0.0037 -0.00433 -0.18 -0.0209 -0.0207 -0.83 -0.7126 -0.8378 3070944 PK04_108219 O/N=C(\Cc1ccccc1)/C(=O)NCCCCCNC(=O)OCc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L02 compound treatment -7.0E-4 -0.00131 -0.05 0.0 2.68E-4 0.01 -0.0299 -0.5526 3188538 PK04_108220 CCCC[C@H]1OB(O)C[C@H]2C1=C(C)Cn3n2c(=O)n(c4ccccc4)c3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L03 compound treatment 3.0E-4 -3.08E-4 -0.01 -0.0089 -0.00868 -0.35 -0.2554 -0.7319 3188539 PK04_108221 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L04 compound treatment -0.0017 -0.00233 -0.09 -0.0149 -0.0147 -0.59 -0.4848 -0.8097 3215882 PK04_108222 CCCC[C@H]1OB(O)C[C@H]2C1=C(COC)Cn3n2c(=O)n(c4ccccc4)c3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L05 compound treatment 0.0063 0.00567 0.23 -0.0129 -0.0127 -0.51 -0.1986 -0.3545 3188540 PK04_108223 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L06 compound treatment -0.0468 -0.0474 -1.92 -0.0409 -0.0407 -1.63 -2.5133 -0.9968 3215880 PK04_108224 CCCC[C@H]1OB(O)C[C@H]2C1=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L07 mock treatment -0.0037 -0.00433 -0.18 -0.0089 -0.00873 -0.35 -0.3721 -0.9488 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L08 mock treatment -7.0E-4 -0.00133 -0.05 0.0031 0.00327 0.13 0.0547 0.3859 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L09 compound treatment 0.0053 0.00467 0.19 0.0071 0.00728 0.29 0.3406 0.978 3188541 PK04_108225 C[C@@H]1ON([C@@H]([C@H]1C(=O)O)c2ccccc2)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L10 compound treatment -0.0597 -0.0604 -2.45 -0.0659 -0.0657 -2.64 -3.596 -0.9993 3188542 PK04_108226 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L11 compound treatment 0.0183 0.0177 0.72 0.0091 0.00927 0.37 0.7714 0.9531 3070947 PK04_108227 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L12 compound treatment -0.0707 -0.0714 -2.89 -0.0739 -0.0737 -2.96 -4.1386 -0.9999 3188543 PK04_108228 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L13 compound treatment 0.0083 0.00772 0.31 0.0031 0.00327 0.13 0.3143 0.9255 3188544 PK04_108229 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L14 compound treatment -0.0437 -0.0444 -1.8 -0.0499 -0.0497 -2.0 -2.6828 -0.9987 3070948 PK04_108230 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)C=CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L15 mock treatment 3.0E-4 -3.28E-4 -0.01 0.0081 0.00828 0.33 0.2257 0.6783 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L16 mock treatment 0.0063 0.00567 0.23 -0.0089 -0.00869 -0.35 -0.0842 -0.2013 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L17 compound treatment 0.0253 0.0247 1.0 0.0161 0.0163 0.65 1.1712 0.9785 3188657 PK04_108231 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5cccc(c5)C(=O)OC(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L18 compound treatment -0.0457 -0.0464 -1.88 -0.0429 -0.0427 -1.71 -2.5417 -0.9989 3070949 PK04_108232 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)C=CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L19 compound treatment 0.0113 0.0107 0.43 0.0 2.68E-4 0.01 0.315 0.7244 3188658 PK04_108233 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L20 compound treatment -0.0328 -0.0334 -1.35 -0.0419 -0.0417 -1.67 -2.1402 -0.9944 3070950 PK04_108234 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)C=CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L21 compound treatment -0.0017 -0.00233 -0.09 0.007 0.00727 0.29 0.1396 0.4552 3188659 PK04_108235 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4cccc(NC(=O)OCC5c6ccccc6-c7ccccc57)c4)c8ccc(I)cc8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L22 compound treatment -0.0198 -0.0204 -0.83 -0.0139 -0.0137 -0.55 -0.9726 -0.9805 3070951 PK04_108236 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)C=CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L23 mock treatment 0.0173 0.0167 0.68 0.0201 0.0203 0.81 1.0553 0.9959 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 L24 mock treatment 0.0233 0.0227 0.92 0.0271 0.0273 1.1 1.4262 0.9963 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M01 compound treatment 0.0183 0.0177 0.72 0.0221 0.0223 0.9 1.142 0.994 3188660 PK04_108237 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M02 compound treatment 0.0693 0.0687 2.79 0.0811 0.0813 3.27 4.279 0.9969 3070952 PK04_108238 CC(C)Cc1ccc(CN2CC[C@@H](N)C2)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M03 compound treatment 0.0123 0.0117 0.47 0.0011 0.00132 0.05 0.3727 0.7812 3188661 PK04_108239 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M04 compound treatment -0.0067 -0.00731 -0.3 -0.0059 -0.00568 -0.23 -0.3709 -0.9917 3070953 PK04_108240 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M05 compound treatment -7.0E-4 -0.00131 -0.05 0.0051 0.00532 0.21 0.1135 0.5159 3188662 PK04_108241 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@@H]2[C@@H](O)Cc3ccccc3)/C=C/C4CC4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M06 compound treatment 0.0023 0.00169 0.07 0.0061 0.00632 0.25 0.2279 0.8672 3070954 PK04_108242 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)c3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M07 compound treatment 0.0043 0.00369 0.15 -9.0E-4 -6.82E-4 -0.03 0.0865 0.5682 3188663 PK04_108243 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M08 compound treatment 0.0163 0.0157 0.64 0.0031 0.00332 0.13 0.5451 0.8368 3188664 PK04_108244 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)Nc3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M09 mock treatment 0.0183 0.0177 0.72 0.0041 0.00432 0.17 0.6308 0.8532 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M10 mock treatment 0.0023 0.00167 0.07 0.0091 0.00928 0.37 0.3114 0.8223 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M11 compound treatment 0.0013 7.22E-4 0.03 0.0171 0.0173 0.7 0.5125 0.7362 3070955 PK04_108245 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M12 compound treatment -0.0037 -0.00431 -0.17 0.0021 0.00228 0.09 -0.0588 -0.2984 3188665 PK04_108246 CC(C)Oc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M13 mock treatment -0.0047 -0.00536 -0.22 -0.0039 -0.00368 -0.15 -0.2582 -0.9824 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M14 mock treatment 0.0083 0.00769 0.31 0.0091 0.00932 0.37 0.4852 0.9959 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M15 compound treatment -0.0098 -0.0104 -0.42 0.0041 0.00432 0.17 -0.1744 -0.3838 3188666 PK04_108247 COC(=O)[C@H](Cc1ccccc1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M16 compound treatment -0.0057 -0.00633 -0.26 0.0041 0.00432 0.17 -0.0588 -0.1899 3070994 PK04_108248 CC(C)Oc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M17 compound treatment 0.0173 0.0167 0.68 0.0051 0.00532 0.21 0.6297 0.8871 3188667 PK04_108249 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4ccccc4Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M18 compound treatment 0.0023 0.00169 0.07 0.0041 0.00432 0.17 0.1711 0.9177 3070995 PK04_108250 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4OCOc4c3)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M19 compound treatment 0.0083 0.00769 0.31 0.0101 0.0103 0.41 0.5136 0.9902 3188668 PK04_108251 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/c2ccccc2)[C@@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M20 compound treatment 0.0063 0.00569 0.23 0.0021 0.00232 0.09 0.229 0.9202 2133134 PK04_108252 CCCCC(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M21 compound treatment 0.0033 0.00269 0.11 0.0091 0.00932 0.37 0.3418 0.8769 3070996 PK04_108253 O[C@@H](Cc1ccccc1)[C@@H](/C=C/c2ccccc2)N(CC#C)Cc3ccccc3Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M22 compound treatment 0.0103 0.00972 0.39 0.0191 0.0193 0.77 0.8262 0.951 2133147 PK04_108254 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCCO4)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M23 compound treatment -0.0027 -0.00333 -0.13 0.0101 0.0103 0.41 0.1965 0.4524 3070997 PK04_108255 CCCC/C=C/[C@H]([C@@H](O)Cc1ccccc1)N(CC#Cc2ccccc2)Cc3ccccc3Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 M24 compound treatment 0.0183 0.0177 0.72 0.0251 0.0253 1.02 1.226 0.9857 3188671 PK04_108256 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCCc3c[nH]c4ccccc34)[C@@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N01 compound treatment -0.0057 -0.00633 -0.26 -0.0139 -0.0137 -0.55 -0.5711 -0.9395 3188672 PK04_108257 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(OC(=O)OC(C)(C)C)cc4)c5ccc(I)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N02 compound treatment -0.0197 -0.0203 -0.82 -0.0389 -0.0387 -1.56 -1.6811 -0.9556 3070998 PK04_108258 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N03 compound treatment -0.0397 -0.0403 -1.63 -0.0219 -0.0217 -0.87 -1.7718 -0.9568 3188673 PK04_108259 COC(=O)CCCCCCC(=O)Nc1ccc(NC(=O)CCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N04 compound treatment -0.0277 -0.0283 -1.15 -0.0389 -0.0387 -1.56 -1.9105 -0.9888 3070999 PK04_108260 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N05 compound treatment -0.0057 -0.00633 -0.26 -0.0169 -0.0167 -0.67 -0.6563 -0.9129 3188674 PK04_108261 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H]2[C@@H](C)ON([C@@H]2c3ccccc3)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N06 compound treatment -0.0328 -0.0334 -1.35 -0.0499 -0.0497 -2.0 -2.3674 -0.9821 3071000 PK04_108262 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)CCc3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N07 compound treatment -0.0088 -0.00936 -0.38 -0.0209 -0.0207 -0.83 -0.8568 -0.9367 3188675 PK04_108263 CC(C)[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)ON([C@@H]1c2ccccc2)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N08 compound treatment -0.0427 -0.0433 -1.76 -0.0499 -0.0497 -2.0 -2.6527 -0.998 3188676 PK04_108264 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N09 mock treatment -0.0197 -0.0203 -0.82 -0.0279 -0.0277 -1.11 -1.3687 -0.9889 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N10 mock treatment 0.0083 0.00767 0.31 -0.0029 -0.00273 -0.11 0.1424 0.4317 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N11 compound treatment -0.2883 -0.289 -11.72 -0.2781 -0.278 -11.16 -16.1756 -0.9997 3071001 PK04_108265 COC(=O)[C@@H]1N[C@H]2[C@@H](COc3ccccc23)[C@@H]1C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N12 compound treatment -0.0067 -0.00733 -0.3 -0.0069 -0.00673 -0.27 -0.4013 -0.9989 3188677 PK04_108266 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N13 mock treatment -0.0027 -0.00333 -0.13 -0.003 -0.00274 -0.11 -0.1731 -0.9948 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N14 mock treatment -0.0037 -0.00433 -0.18 0.001 0.00127 0.05 -0.0882 -0.4825 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N15 compound treatment 0.0073 0.00667 0.27 -0.0129 -0.0127 -0.51 -0.1699 -0.2939 3071002 PK04_108267 OCC1CC(=NO1)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N16 compound treatment -0.0857 -0.0863 -3.5 -0.0709 -0.0707 -2.84 -4.4825 -0.9946 3188788 PK04_108268 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N17 compound treatment -0.0067 -0.00733 -0.3 -0.005 -0.00473 -0.19 -0.3445 -0.9767 3071004 PK04_108269 O[C@H](C=C)[C@H]1CC(=NO1)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N18 compound treatment -0.0297 -0.0303 -1.23 -0.0119 -0.0117 -0.47 -1.2011 -0.9134 3071005 PK04_108270 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N19 compound treatment -0.0067 -0.00733 -0.3 -0.0119 -0.0117 -0.47 -0.543 -0.9754 3414065 PK04_108271 O[C@@H]([C@H]1CC(=NO1)c2ccccc2)[C@@H]3CC(=NO3)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N20 compound treatment 0.0043 0.00367 0.15 -0.005 -0.00473 -0.19 -0.0291 -0.1204 3188790 PK04_108272 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N21 compound treatment 0.0033 0.00267 0.11 0.0131 0.0133 0.53 0.4537 0.8338 3071008 PK04_108273 CC[C@H](C)C(=O)O[C@H]1CC[C@@]2(C)C(CCC3=C2CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCCC(C)C)C1(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N22 compound treatment -7.0E-4 -0.00133 -0.05 -0.0049 -0.00468 -0.19 -0.171 -0.8744 3188791 PK04_108274 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N23 compound treatment -7.0E-4 -0.00131 -0.05 0.006 0.00627 0.25 0.1405 0.5461 3188792 PK04_108275 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)C4CC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 N24 compound treatment 0.0043 0.00367 0.15 0.007 0.00727 0.29 0.3117 0.9512 3188793 PK04_108276 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O01 compound treatment -0.0017 -0.00233 -0.09 -0.0249 -0.0247 -0.99 -0.7688 -0.7709 3071055 PK04_108277 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O02 compound treatment -0.0067 -0.00731 -0.3 -0.0019 -0.00168 -0.07 -0.2573 -0.8466 2129060 PK04_108278 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCC3CCCCC3)[C@@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O03 compound treatment -0.0077 -0.00836 -0.34 -0.0029 -0.00268 -0.11 -0.3158 -0.8881 3188794 PK04_108279 O[C@@H](Cc1ccccc1)[C@H](NCc2cccc(Cl)c2)/C=C/C3CC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O04 compound treatment 0.0133 0.0127 0.52 0.0031 0.00332 0.13 0.459 0.8614 2129057 PK04_108280 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC[C@@H]3CCCO3)[C@@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O05 compound treatment 3.0E-4 -3.08E-4 -0.01 -0.0109 -0.0107 -0.43 -0.3122 -0.7274 3188796 PK04_108281 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4cccc(Cl)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O06 compound treatment 0.0193 0.0187 0.76 0.0201 0.0203 0.81 1.1127 0.9994 2129061 PK04_108282 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC3CCCCCC3)[C@@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O07 compound treatment -0.0067 -0.00731 -0.3 -0.0299 -0.0297 -1.19 -1.0527 -0.8568 3071060 PK04_108283 O[C@@H](Cc1ccccc1)[C@H](NCc2ccccc2Br)/C=C/c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O08 compound treatment 0.0153 0.0147 0.6 0.0301 0.0303 1.22 1.2819 0.9464 2129067 PK04_108284 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccccc3F)[C@@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O09 compound treatment 0.0033 0.00269 0.11 -0.0119 -0.0117 -0.47 -0.2548 -0.5286 3188797 PK04_108285 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC=C3CN2Cc4cccc(Cl)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O10 compound treatment 0.0173 0.0167 0.68 0.0171 0.0173 0.69 0.9687 0.9999 2129068 PK04_108286 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccc(F)cc3)[C@@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O11 mock treatment -0.0037 -0.00431 -0.17 -0.0019 -0.00168 -0.07 -0.1713 -0.9146 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O12 mock treatment -0.0077 -0.00836 -0.34 -0.0019 -0.00173 -0.07 -0.2889 -0.8349 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O13 compound treatment 0.0143 0.0137 0.56 -0.0199 -0.0197 -0.79 -0.1666 -0.1724 3188798 PK04_108287 COC1(C)CN(Cc2ccccc2Br)[C@H](/C=C/c3ccccc3)[C@H](Cc4ccccc4)O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O14 compound treatment 0.0103 0.00969 0.39 -0.0079 -0.00769 -0.31 0.0595 0.119 3071064 PK04_108288 CCCC(=O)N(CCc1c[nH]c2ccccc12)[C@@H]3CC(=C[C@H](Oc4c(I)cc(CO)cc4OC)[C@H]3O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O15 compound treatment 0.0083 0.00769 0.31 -0.0109 -0.0107 -0.43 -0.0831 -0.1565 3188799 PK04_108289 CN1C(=O)C2C3[C@H]([C@@H](O)Cc4ccccc4)N(Cc5cccc(Cl)c5)CC3=CC(C6CC6)C2C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O16 compound treatment 0.0103 0.00972 0.39 0.0021 0.00232 0.09 0.3446 0.8506 2133032 PK04_108290 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4ccc(cc4)C(F)(F)F)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O17 compound treatment 0.0063 0.00569 0.23 -0.0059 -0.00568 -0.23 0.0019 0.0057 3071066 PK04_108291 O[C@@H](Cc1ccccc1)[C@H](N(CC#C)CC2=CCCCC2)c3ccccc3Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O18 compound treatment -0.0067 -0.00736 -0.3 -9.0E-4 -6.82E-4 -0.03 -0.2304 -0.7688 2133035 PK04_108292 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O19 compound treatment -0.0157 -0.0163 -0.66 -0.0069 -0.00668 -0.27 -0.658 -0.9209 3071068 PK04_108293 O=C(Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O20 compound treatment 0.0013 7.22E-4 0.03 -0.0269 -0.0267 -1.07 -0.737 -0.6875 2133267 PK04_108294 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(Cc3ccc(F)cc3)C(=O)C4CCCO4)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O21 compound treatment 0.0043 0.00367 0.15 0.0111 0.0113 0.45 0.4256 0.8926 3071112 PK04_108295 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4cccc(Cl)c4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O22 compound treatment 0.0073 0.00667 0.27 0.0261 0.0263 1.06 0.9375 0.8606 2133153 PK04_108296 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCOC4)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O23 compound treatment -0.0027 -0.00333 -0.13 0.0231 0.0233 0.93 0.5656 0.5988 3188804 PK04_108297 Clc1cccc(CN2CC3=CCCC=CC3[C@@H]2[C@H](Cc4ccccc4)OC(=O)C=C)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 O24 compound treatment -0.0127 -0.0133 -0.54 0.0031 0.00328 0.13 -0.2877 -0.519 2132929 PK04_108298 CC/C=C/C(=O)N(C[C@@H]1CCCO1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P01 compound treatment -0.0387 -0.0393 -1.59 -0.0479 -0.0477 -1.91 -2.4812 -0.9958 3188805 PK04_108299 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C(C)(C)C)C(C)(C)C4CC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P02 compound treatment -0.0237 -0.0243 -0.98 -0.0259 -0.0257 -1.03 -1.4266 -0.9997 3071118 PK04_108300 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P03 compound treatment -0.0147 -0.0153 -0.62 -0.0369 -0.0367 -1.47 -1.4809 -0.9258 3188806 PK04_108301 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)C4CC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P04 compound treatment -0.0287 -0.0293 -1.19 -0.0359 -0.0357 -1.43 -1.854 -0.9956 3071120 PK04_108302 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(C)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P05 compound treatment -0.0317 -0.0323 -1.31 -0.0289 -0.0287 -1.15 -1.7401 -0.998 3188807 PK04_108303 COc1ccc(cc1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P06 compound treatment -0.0257 -0.0263 -1.07 -0.0209 -0.0207 -0.83 -1.342 -0.9925 3188808 PK04_108304 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P07 compound treatment -0.0297 -0.0303 -1.23 -0.0459 -0.0457 -1.83 -2.1663 -0.981 3071124 PK04_108305 COc1cccc(c1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P08 compound treatment -0.0057 -0.00633 -0.26 -0.0239 -0.0237 -0.95 -0.8551 -0.8667 3188923 PK04_108306 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P09 compound treatment -0.0257 -0.0263 -1.07 -0.0229 -0.0227 -0.91 -1.3988 -0.997 3188924 PK04_108307 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(Br)cc5)C(C)(C)C4CC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P10 compound treatment -0.0217 -0.0223 -0.9 -0.0159 -0.0157 -0.63 -1.0862 -0.9845 3071127 PK04_108308 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)CCc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P11 mock treatment -0.0297 -0.0303 -1.23 -0.0309 -0.0307 -1.23 -1.7407 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P12 mock treatment -0.0117 -0.0123 -0.5 -0.0219 -0.0217 -0.87 -0.9704 -0.9651 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P13 compound treatment -0.0467 -0.0473 -1.92 -0.0239 -0.0237 -0.95 -2.0293 -0.9479 3188925 PK04_108309 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(N)cc5)C(C)(C)C4CC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P14 compound treatment -0.0197 -0.0203 -0.82 -0.0169 -0.0167 -0.67 -1.0563 -0.9949 3071425 PK04_108310 CCCC[C@@H](O)C1=C(C)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P15 compound treatment -0.0067 -0.00733 -0.3 -0.0309 -0.0307 -1.23 -1.0826 -0.853 3188926 PK04_108311 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(nc5)C(F)(F)F)C(C)(C)C4CC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P16 compound treatment -0.0197 -0.0203 -0.82 -0.0309 -0.0307 -1.23 -1.4539 -0.9806 3215868 PK04_108312 CCCC[C@@H](O)C1=C(COC)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P17 compound treatment -0.0307 -0.0313 -1.27 -0.0209 -0.0207 -0.83 -1.4854 -0.9791 3188927 PK04_108313 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)F)C(=O)N(C)c3ccccc32 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P18 compound treatment -0.0067 -0.00733 -0.3 -0.0299 -0.0297 -1.19 -1.0542 -0.857 3215866 PK04_108314 CCCC[C@@H](O)C1=C(COc2ccccc2)Cn3n([C@H]1CO)c(=O)n(c4ccccc4)c3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P19 compound treatment -0.0067 -0.00728 -0.3 -0.0159 -0.0157 -0.63 -0.6552 -0.94 3071435 PK04_108315 COC(=O)C[C@H]1O[C@@]2(C[C@@H]1[Si](C)(C)C)C(=O)N(C)c3ccccc32 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P20 compound treatment -0.0107 -0.0113 -0.46 -0.0129 -0.0127 -0.51 -0.6847 -0.9985 3071437 PK04_108316 OB1OC(CCc2ccccc2)CC=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P21 compound treatment -0.0037 -0.00433 -0.18 -0.0109 -0.0107 -0.43 -0.4286 -0.9217 3188929 PK04_108317 COC(=O)C/C=C/C[C@]1(O)C(=O)N(C)c2ccccc21 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P22 compound treatment -0.1097 -0.11 -4.47 -0.1119 -0.112 -4.49 -6.3346 -1.0 3071483 PK04_108318 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)c2ccncc2)c3ccccc3)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P23 compound treatment -0.0087 -0.00931 -0.38 -0.0309 -0.0307 -1.23 -1.1393 -0.883 3188930 PK04_108319 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO[Si](C(C)C)(C(C)C)C(C)C)nn2)/C=C/C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2108 P24 compound treatment -0.0047 -0.00528 -0.21 0.0171 0.0173 0.69 0.3393 0.4673 3071486 PK04_108320 CC(=O)OC(C/C=C\B1OC(C)(C)C(C)(C)O1)c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A01 compound treatment -0.0482 -0.0489 -1.98 -0.0493 -0.0487 -1.96 -2.7854 -1.0 3131442 CMLD2_000001 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A02 compound treatment -0.0342 -0.0349 -1.41 -0.0474 -0.0467 -1.88 -2.3265 -0.9903 3131443 CMLD2_000002 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A03 compound treatment -0.0512 -0.0519 -2.1 -0.0384 -0.0377 -1.51 -2.559 -0.9869 3010137 CMLD2_000003 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOC)O3)O2)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A04 compound treatment -0.0482 -0.0489 -1.98 -0.0454 -0.0447 -1.8 -2.6718 -0.9988 3131444 CMLD2_000004 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A05 compound treatment -0.0382 -0.0389 -1.58 -0.0403 -0.0397 -1.59 -2.243 -1.0 3131445 CMLD2_000005 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A06 compound treatment -0.0492 -0.0499 -2.02 -0.0394 -0.0387 -1.55 -2.5302 -0.9915 3010139 CMLD2_000006 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A07 compound treatment -0.0612 -0.0619 -2.51 -0.0353 -0.0347 -1.39 -2.7606 -0.9614 3131446 CMLD2_000007 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4cccc(c4)C(F)(F)F)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A08 compound treatment -0.0472 -0.0479 -1.94 -0.0364 -0.0357 -1.43 -2.3875 -0.9888 3010141 CMLD2_000008 COCn1c2ccccc2c3nnc(nc13)C(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A09 compound treatment -0.0292 -0.0299 -1.21 -0.0413 -0.0407 -1.63 -2.0134 -0.9892 3010141 CMLD2_000009 COCn1c2ccccc2c3nnc(nc13)C(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A10 compound treatment -0.0532 -0.0539 -2.19 -0.0594 -0.0587 -2.36 -3.2128 -0.9993 3010142 CMLD2_000010 CC(C)[C@H](O)C1=CCCCC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A11 compound treatment -0.0332 -0.0339 -1.38 -0.0384 -0.0377 -1.51 -2.0429 -0.9988 3131447 CMLD2_000011 O=C(OCc1ccccc1)C(C2CCCC(=O)C2)C(=O)OCc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A12 compound treatment -0.0342 -0.0349 -1.42 -0.0413 -0.0407 -1.63 -2.1567 -0.9974 3010143 CMLD2_000012 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A13 mock treatment -0.0472 -0.0479 -1.94 -0.0514 -0.0507 -2.04 -2.8135 -0.9997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A14 mock treatment -0.0572 -0.0579 -2.35 -0.0604 -0.0597 -2.4 -3.3558 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A15 compound treatment -0.0582 -0.0589 -2.39 -0.0514 -0.0507 -2.04 -3.1285 -0.9969 3131448 CMLD2_000013 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A16 compound treatment -0.0442 -0.0449 -1.82 -0.0514 -0.0507 -2.04 -2.7275 -0.9985 3131449 CMLD2_000014 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A17 compound treatment -0.0572 -0.0579 -2.35 -0.0454 -0.0447 -1.8 -2.9313 -0.9913 3010159 CMLD2_000015 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A18 mock treatment -0.0512 -0.0519 -2.11 -0.0493 -0.0487 -1.96 -2.8714 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A19 compound treatment -0.0522 -0.0529 -2.15 -0.0534 -0.0527 -2.12 -3.0136 -1.0 3131450 CMLD2_000016 COc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/c3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A20 compound treatment -0.0582 -0.0589 -2.39 -0.0483 -0.0477 -1.92 -3.0437 -0.994 3010162 CMLD2_000017 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C[C@@H](O)CN=[N+]=[N-])c2ccc(Br)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A21 compound treatment -0.0492 -0.0499 -2.02 -0.0614 -0.0607 -2.44 -3.1562 -0.9957 3131451 CMLD2_000018 COc1ccc(OC[C@H]2Cc3c(nc4CCN(CCOc5ccccc5)Cc4c3CO2)c6ccccc6)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A22 compound treatment -0.0492 -0.0499 -2.02 -0.0454 -0.0447 -1.8 -2.7019 -0.9982 3131452 CMLD2_000019 COC(=O)C1=C(C(=O)OC)[C@]23O[C@]1(C(=O)OC)C(=O)N3[C@@H](C(=C(C)N2Cc4ccccc4)C(=O)OC)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A23 compound treatment -0.0432 -0.0439 -1.78 -0.0384 -0.0377 -1.52 -2.3305 -0.9968 3010166 CMLD2_000020 COc1cccc(c1)[C@H]2N[C@@H](CC[C@@H]2C)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 A24 compound treatment -0.0892 -0.0899 -3.65 -0.0914 -0.0907 -3.64 -5.1546 -1.0 3010168 CMLD2_000021 CCN1C(=C([C@H](N2C(=O)[C@@](O)([C@H](C(=C12)C(=O)C)c3ccccc3)C(=O)OC)c4ccccc4)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B01 compound treatment -0.0112 -0.0119 -0.48 -0.0074 -0.00675 -0.27 -0.5332 -0.9628 3131453 CMLD2_000022 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B02 compound treatment -0.0052 -0.00591 -0.24 0.0056 0.0062 0.25 0.0067 0.0193 3131569 CMLD2_000023 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B03 compound treatment 0.0088 0.00811 0.33 0.0106 0.0112 0.45 0.5505 0.9881 3131570 CMLD2_000024 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCC(C)C)O3)O2)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B04 compound treatment -0.0082 -0.00891 -0.36 0.0116 0.0123 0.49 0.0925 0.1515 3010172 CMLD2_000025 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B05 compound treatment 0.0068 0.0061 0.25 0.0267 0.0273 1.1 0.9503 0.8454 3131571 CMLD2_000026 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B06 compound treatment 0.0038 0.0031 0.13 0.0076 0.0082 0.33 0.3218 0.9129 3010200 CMLD2_000027 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B07 compound treatment -0.0072 -0.0079 -0.32 0.0096 0.0102 0.41 0.0645 0.1237 3131572 CMLD2_000028 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B08 compound treatment 0.0318 0.0311 1.26 0.0366 0.0373 1.5 1.95 0.9964 3010203 CMLD2_000029 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCc2nc1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B09 compound treatment 0.0188 0.0181 0.73 0.0156 0.0162 0.65 0.9791 0.9982 3010205 CMLD2_000030 COC(=O)NC/C=C\c1nc(CC/C=C\C(=O)OC)co1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B10 compound treatment 0.0078 0.0071 0.29 0.0156 0.0162 0.65 0.6637 0.9328 3131573 CMLD2_000031 Cc1cc2C(=O)[C@@H]3O[C@@H]3[C@H](O)c2c(=O)o1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B11 compound treatment 0.0058 0.00512 0.21 0.0126 0.0133 0.53 0.5232 0.9158 3010207 CMLD2_000032 CC1(C)OCC(CO1)C(O)C2=CCCCC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B12 compound treatment 0.0028 0.0021 0.09 0.0106 0.0113 0.45 0.3798 0.8259 3131574 CMLD2_000033 COC(=O)[C@H](C)NC(=O)[C@@H](C)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B13 mock treatment 0.0128 0.0121 0.49 0.0106 0.0113 0.45 0.6665 0.9991 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B14 mock treatment -0.0012 -0.0019 -0.08 0.0176 0.0183 0.73 0.4639 0.6294 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B15 compound treatment -0.0022 -0.0029 -0.12 0.0056 0.00625 0.25 0.0945 0.3408 3010209 CMLD2_000034 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)OC(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B16 compound treatment -0.0012 -0.0019 -0.08 0.0167 0.0173 0.69 0.4369 0.6249 2082484 CMLD2_000035 COC(=O)C(C1CCCC(=O)C1)C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B17 compound treatment 0.0018 0.0011 0.04 0.0166 0.0173 0.69 0.5215 0.7512 3131575 CMLD2_000036 COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B18 mock treatment 0.0018 0.0011 0.04 0.0197 0.0203 0.82 0.6081 0.7447 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B19 compound treatment 0.0038 0.00312 0.13 0.0066 0.00725 0.29 0.2954 0.9304 3010212 CMLD2_000037 CO[C@@H]1[C@H](O)CO[C@H]1/C=C/c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B20 compound treatment 8.0E-4 1.02E-4 0.0 0.0096 0.0103 0.41 0.294 0.7142 3131576 CMLD2_000038 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C[C@H](O)CN=[N+]=[N-])c2ccc(Br)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B21 compound treatment 0.0118 0.0111 0.45 0.0106 0.0113 0.45 0.6379 1.0 3010215 CMLD2_000039 CC(C)CN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B22 compound treatment -2.0E-4 -8.88E-4 -0.04 0.0076 0.0082 0.33 0.2074 0.626 3131577 CMLD2_000040 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@@H]5[C@H]3C(=O)N(C)C5=O)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B23 compound treatment 0.0018 0.00111 0.05 0.0186 0.0192 0.77 0.5771 0.7472 3010186 CMLD2_000041 COc1ccc(cc1)c2ccccc2[C@@H]3N[C@@H](CC[C@H]3C)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 B24 compound treatment -0.0082 -0.0089 -0.36 0.0016 0.00225 0.09 -0.1912 -0.5141 3131578 CMLD2_000042 CCN1C(=C([C@H](N2C(=O)[C@]3(O[C@]21[C@H]4[C@@H]3CCOC4=O)C(=O)CC)c5ccccc5)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C01 compound treatment -0.0082 -0.0089 -0.36 -0.0024 -0.00175 -0.07 -0.3049 -0.8294 3131579 CMLD2_000043 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC(c4ccccc4)c5ccccc5)O3)O2)OC(=O)NCc6cccc7ccccc67 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C02 compound treatment -0.0062 -0.0069 -0.28 0.0066 0.0073 0.29 0.0095 0.0235 3010248 CMLD2_000044 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C03 compound treatment -0.0022 -0.00289 -0.12 6.0E-4 0.00125 0.05 -0.0475 -0.3717 3131580 CMLD2_000045 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C04 compound treatment -0.0052 -0.0059 -0.24 0.0127 0.0133 0.53 0.2086 0.3564 3131581 CMLD2_000046 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCc3ccc4OCOc4c3)O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C05 compound treatment -0.0112 -0.0119 -0.48 0.0137 0.0143 0.57 0.0649 0.0866 3131582 CMLD2_000047 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C06 compound treatment -0.0062 -0.00688 -0.28 -0.0134 -0.0128 -0.51 -0.5606 -0.9588 3010252 CMLD2_000048 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5cccc6ccccc56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C07 compound treatment -0.0032 -0.0039 -0.16 -0.0074 -0.00675 -0.27 -0.3034 -0.9671 3131583 CMLD2_000049 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C08 compound treatment -2.0E-4 -8.98E-4 -0.04 0.0016 0.00225 0.09 0.0382 0.3916 3010254 CMLD2_000050 Cc1cc2N(CC(O)CN3CCCc4nc(C)c(C)cc34)CCCc2nc1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C09 compound treatment 0.0088 0.00811 0.33 0.0056 0.00625 0.25 0.41 0.9911 3131584 CMLD2_000051 C[C@@H]1CC[C@@H]2N(C[C@@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C10 compound treatment 0.0148 0.0141 0.57 6.0E-4 0.00125 0.05 0.4399 0.7663 3010257 CMLD2_000052 Cc1cc2C(=O)[C@@H]3O[C@@H]3[C@@H](O)c2c(=O)o1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C11 mock treatment 0.0018 0.0011 0.04 0.0016 0.00225 0.09 0.0955 0.9472 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C12 mock treatment -0.0092 -0.00991 -0.4 0.0036 0.00425 0.17 -0.1634 -0.3743 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C13 compound treatment 0.0038 0.00309 0.13 -0.0054 -0.00475 -0.19 -0.0462 -0.2024 3010259 CMLD2_000053 OC(CCOCc1ccccc1)C2=CCCCC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C14 compound treatment -0.1884 -0.189 -7.67 -0.1981 -0.197 -7.93 -11.0303 -0.9999 1304363 CMLD2_000054 C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C15 mock treatment 0.0038 0.0031 0.13 -0.0124 -0.0117 -0.47 -0.2434 -0.5002 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C16 mock treatment 0.0058 0.0051 0.21 0.0096 0.0103 0.41 0.4374 0.9493 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C17 compound treatment 0.0088 0.0081 0.33 0.0106 0.0112 0.45 0.5517 0.9878 3010233 CMLD2_000055 COc1ccc(cc1)c2cnnc(CCCn3ccnc3c4ccccc4)n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C18 compound treatment 0.0068 0.0061 0.25 0.0086 0.00925 0.37 0.4377 0.9805 3131585 CMLD2_000056 Cc1ccc(O[C@H]2C=C[C@@H](CC=C)O[C@@H]2COC(=O)NCc3cccc4ccccc34)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C19 compound treatment 0.0028 0.00211 0.09 -0.0094 -0.0088 -0.35 -0.1892 -0.5206 3131586 CMLD2_000057 CCCCC#C[C@H]1O[C@H](COC(=O)OCC)[C@@H](Oc2ccc(cc2)C(=O)OC)C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C20 compound treatment 0.0028 0.0021 0.09 -0.0054 -0.00475 -0.19 -0.0747 -0.3572 3010236 CMLD2_000058 C[C@H]1CC[C@@H]2N(CC(CO)OC2=O)[C@@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C21 compound treatment 0.0138 0.0131 0.53 0.0036 0.00425 0.17 0.4964 0.8895 3131587 CMLD2_000059 CC(C)CN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2CC1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C22 compound treatment -2.0E-4 -8.98E-4 -0.04 -0.0014 -7.49E-4 -0.03 -0.047 -0.9955 3131703 CMLD2_000060 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@@H]5[C@H]3C(=O)N(C5=O)c6ccccc6)C(=O)OC)N([C@@H]1c7ccccc7)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C23 compound treatment -0.0082 -0.00891 -0.36 -0.0043 -0.0037 -0.15 -0.3605 -0.9229 3010240 CMLD2_000061 OC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 C24 compound treatment 0.0048 0.0041 0.17 0.0056 0.00625 0.25 0.2951 0.98 3131704 CMLD2_000062 CCN1C(=C([C@H](N2C(=O)[C@]3(O[C@]21[C@H]4[C@@H]3C(=O)N(C4=O)c5ccccc5)C(=O)OC)c6ccccc6)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D01 compound treatment -0.0112 -0.0119 -0.48 -0.0104 -0.0097 -0.39 -0.6169 -0.9943 3010292 CMLD2_000063 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5cccc6ccccc56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D02 compound treatment -0.0202 -0.0209 -0.85 -0.0144 -0.0137 -0.55 -0.9886 -0.9781 3131705 CMLD2_000064 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D03 compound treatment -0.0142 -0.0149 -0.6 -0.0064 -0.00575 -0.23 -0.5902 -0.913 3131706 CMLD2_000065 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D04 compound treatment 8.0E-4 1.02E-4 0.0 -0.0204 -0.0197 -0.79 -0.5579 -0.7034 3010296 CMLD2_000066 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D05 compound treatment -0.0012 -0.0019 -0.08 -0.0053 -0.0047 -0.19 -0.1879 -0.9218 3010274 CMLD2_000067 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D06 compound treatment -0.0152 -0.0159 -0.65 -0.0193 -0.0187 -0.75 -0.9872 -0.9971 3131707 CMLD2_000068 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D07 compound treatment -0.0072 -0.0079 -0.32 -0.0024 -0.00175 -0.07 -0.2761 -0.8422 3131708 CMLD2_000069 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4cccc(c4)C(F)(F)F)O3)O2)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D08 compound treatment 0.0018 0.00111 0.05 -0.0014 -7.49E-4 -0.03 0.0106 0.196 3010278 CMLD2_000070 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(ccc45)c6ccc(Br)cc6)CCCc3n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D09 compound treatment -0.0262 -0.0269 -1.09 -0.0135 -0.0128 -0.51 -1.1351 -0.941 3010279 CMLD2_000071 CN1CCN(CC(O)CN2CCCc3nc(C)c(C)cc23)CC1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D10 compound treatment -0.0032 -0.00389 -0.16 -0.0074 -0.00675 -0.27 -0.3031 -0.9668 3131709 CMLD2_000072 C[C@@H](N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D11 mock treatment 0.0118 0.0111 0.45 0.0106 0.0112 0.45 0.6364 1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D12 mock treatment -0.0062 -0.00689 -0.28 -0.0064 -0.00575 -0.23 -0.3608 -0.9955 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D13 compound treatment -0.0382 -0.0389 -1.58 -0.0034 -0.00275 -0.11 -1.1932 -0.7548 3010281 CMLD2_000073 Brc1ccc(cc1)C(=O)OC(CCc2ccccc2)C3=CCCCC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D14 compound treatment 0.0058 0.0051 0.21 -0.0164 -0.0157 -0.63 -0.2995 -0.4513 3131710 CMLD2_000074 CCOC(=O)CC(C1CCCCC1=O)C(=O)OCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D15 mock treatment -0.0122 -0.0129 -0.52 -0.0104 -0.0097 -0.39 -0.6456 -0.9894 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D16 mock treatment 0.0038 0.00311 0.13 0.0026 0.00325 0.13 0.1814 0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D17 compound treatment 0.0078 0.0071 0.29 -0.0053 -0.0047 -0.19 0.0702 0.2039 3131711 CMLD2_000075 COC(=O)C/C=C/[C@H](C)[C@H](CO)NS(=O)(=O)c1ccc(C)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D18 compound treatment 8.0E-4 1.07E-4 0.0 -0.0083 -0.0077 -0.31 -0.2156 -0.6971 3010283 CMLD2_000076 CCCCC#C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D19 compound treatment -0.0132 -0.0139 -0.56 -0.0134 -0.0127 -0.51 -0.7594 -0.9987 3131712 CMLD2_000077 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D20 compound treatment -0.0082 -0.00891 -0.36 -0.0014 -6.99E-4 -0.03 -0.2753 -0.7597 3010285 CMLD2_000078 COC(=O)[C@@H]1CC[C@@H](C)[C@@H](N1)c2ccc(Br)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D21 compound treatment -0.0032 -0.0039 -0.16 -0.0214 -0.0207 -0.83 -0.6997 -0.8267 3131713 CMLD2_000079 C[C@@H]1Cc2c(CO1)cnc3CCN(C)Cc32 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D22 compound treatment -0.0042 -0.00489 -0.2 0.0095 0.0102 0.41 0.1495 0.3285 3131714 CMLD2_000080 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]5CCCC(=O)[C@H]53)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D23 compound treatment -0.0292 -0.0299 -1.21 -0.0303 -0.0297 -1.19 -1.7004 -1.0 3010288 CMLD2_000081 COc1cc(cc(OC)c1OC)[C@@H]2N[C@@H](Cc3c2[nH]c4ccccc34)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 D24 compound treatment 0.0168 0.0161 0.65 0.0106 0.0112 0.45 0.7798 0.9835 3131715 CMLD2_000082 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]([C@@H]3C(=O)c5ccccc5)c6ccccc6)C(=O)OC)N([C@@H]1c7ccccc7)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E01 mock treatment 0.0048 0.0041 0.17 6.0E-4 0.00125 0.05 0.1531 0.8813 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E02 mock treatment 0.0058 0.0051 0.21 0.0097 0.0103 0.41 0.4388 0.9487 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E03 compound treatment -2.0E-4 -8.98E-4 -0.04 -0.0014 -7.49E-4 -0.03 -0.047 -0.9955 3010304 CMLD2_000083 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E04 compound treatment 0.0178 0.0171 0.69 0.0166 0.0173 0.69 0.9809 1.0 3131716 CMLD2_000084 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E05 compound treatment 0.0128 0.0121 0.49 0.0137 0.0143 0.57 0.7529 0.9969 3131717 CMLD2_000085 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOC)O2)O1)OC(=O)NCCc3ccc(F)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E06 compound treatment 0.0048 0.00411 0.17 0.0066 0.0073 0.29 0.3252 0.9642 3010306 CMLD2_000086 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E07 compound treatment 0.0068 0.00609 0.25 0.0046 0.00525 0.21 0.3238 0.9969 3131718 CMLD2_000087 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E08 compound treatment 0.0148 0.0141 0.57 0.0207 0.0213 0.86 1.009 0.9808 3131719 CMLD2_000088 Brc1ccc(cc1)c2ccc3N(CCCc3n2)C(=O)NCCCN4=CC=NC4c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E09 mock treatment 0.0108 0.0101 0.41 0.0226 0.0233 0.94 0.9513 0.9314 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E10 mock treatment 0.0288 0.0281 1.14 0.0216 0.0223 0.9 1.4388 0.9929 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E11 compound treatment 0.0038 0.0031 0.13 -0.0054 -0.00475 -0.19 -0.0459 -0.2009 3010320 CMLD2_000089 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)NCc3cccc4ccccc34)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E12 compound treatment 0.0088 0.00809 0.33 0.0117 0.0123 0.49 0.5814 0.9803 3131720 CMLD2_000090 CC(C)C(=O)N[C@H]1CCCN1C(=O)/C=C/c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E13 compound treatment 0.0098 0.00909 0.37 0.0056 0.00625 0.25 0.4382 0.9825 3010323 CMLD2_000091 OC(COCc1ccccc1)C2=CCCCC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E14 compound treatment 0.0098 0.00909 0.37 -0.0044 -0.00375 -0.15 0.1543 0.3873 3131721 CMLD2_000092 COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3ccccc3O[C@]2([C@@H]1c4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E15 compound treatment 0.0138 0.0131 0.53 0.0236 0.0243 0.97 1.0641 0.9593 3010326 CMLD2_000093 COc1cc(O)c(C(=O)/C=C/c2ccc3OCOc3c2)c(OC)c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E16 mock treatment 0.0138 0.0131 0.53 0.0137 0.0143 0.57 0.7815 0.9992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E17 mock treatment 0.0268 0.0261 1.06 0.0106 0.0113 0.45 1.069 0.9285 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E18 mock treatment 0.0138 0.0131 0.53 0.0176 0.0183 0.73 0.8951 0.9873 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E19 compound treatment 8.0E-4 1.02E-4 0.0 0.0056 0.00625 0.25 0.1804 0.7186 3131722 CMLD2_000094 COc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E20 compound treatment 0.0178 0.0171 0.69 0.0076 0.00825 0.33 0.7244 0.9429 3131840 CMLD2_000095 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)C(F)(F)F)c2ccc(Br)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E21 compound treatment 0.0218 0.0211 0.86 0.0157 0.0163 0.65 1.0677 0.9913 3010332 CMLD2_000096 C1Cc2nc(c3ccccc3)c(cc2CN1)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E22 compound treatment 0.0168 0.0161 0.65 0.0186 0.0193 0.77 1.0094 0.9963 3131841 CMLD2_000097 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]5CCOC(=O)[C@H]53)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E23 compound treatment 0.0208 0.0201 0.82 0.0176 0.0182 0.73 1.0939 0.9985 3010340 CMLD2_000098 C[C@H]1CC[C@H](N[C@@H]1c2cccc(CC=C)c2)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 E24 compound treatment -0.0152 -0.0159 -0.64 -0.0334 -0.0327 -1.32 -1.3856 -0.9461 3131842 CMLD2_000099 CCN1C(=C([C@H](N2C(=O)[C@]3(O[C@]21[C@H]4[C@@H]3CCCC4=O)C(=O)OC)c5ccccc5)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F01 mock treatment -0.0052 -0.0059 -0.24 -0.0083 -0.0077 -0.31 -0.3878 -0.992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F02 mock treatment -0.0072 -0.00789 -0.32 -0.0014 -7.49E-4 -0.03 -0.2475 -0.7702 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F03 compound treatment -0.0022 -0.00291 -0.12 0.0046 0.00525 0.21 0.0657 0.272 3131843 CMLD2_000100 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F04 compound treatment 0.0078 0.00712 0.29 -0.0014 -6.99E-4 -0.03 0.1844 0.6354 3010347 CMLD2_000101 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F05 compound treatment -0.0012 -0.00189 -0.08 0.0126 0.0133 0.53 0.3222 0.5992 3131844 CMLD2_000102 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCCc3ccc(F)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F06 compound treatment 0.0048 0.0041 0.17 -0.0014 -7.49E-4 -0.03 0.0964 0.57 3131845 CMLD2_000103 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F07 compound treatment -0.0032 -0.0039 -0.16 -0.0073 -0.0067 -0.27 -0.302 -0.9679 3011245 CMLD2_000104 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F08 compound treatment 0.0168 0.0161 0.65 0.0246 0.0253 1.01 1.1794 0.9775 3010203 CMLD2_000105 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCc2nc1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F09 mock treatment 0.0158 0.0151 0.61 -0.0074 -0.00675 -0.27 0.242 0.3609 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F10 mock treatment 0.0098 0.00912 0.37 0.0136 0.0142 0.57 0.6648 0.978 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F11 compound treatment 0.0018 0.0011 0.04 -0.0083 -0.0077 -0.31 -0.187 -0.5987 3011246 CMLD2_000106 C[C@@]12CCC3C(CCc4cc(OCC5CO5)ccc34)C2CC[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F12 compound treatment -0.0292 -0.0299 -1.21 -0.0224 -0.0218 -0.88 -1.4757 -0.9873 3011247 CMLD2_000107 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(cc3)c4ccco4)C(=O)[C@@H]5CC[C@@H](C)[C@@H](N5C2=O)c6ccc(cc6)c7ccco7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F13 compound treatment 0.0088 0.0081 0.33 0.0107 0.0113 0.45 0.5532 0.9874 3131846 CMLD2_000108 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(Br)cc3)C(=O)[C@@H]4CC[C@@H](C)[C@@H](N4C2=O)c5ccc(Br)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F14 compound treatment 0.0138 0.0131 0.53 0.0016 0.00225 0.09 0.4394 0.8159 3011248 CMLD2_000109 C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@H]2[C@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F15 compound treatment 0.0148 0.0141 0.57 -0.0084 -0.00775 -0.31 0.184 0.2828 1946418 CMLD2_000110 Fc1ccc(cc1)C(=O)/C=C/c2ccc3OCOc3c2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F16 compound treatment 0.0068 0.0061 0.25 0.0096 0.0102 0.41 0.466 0.9704 3011250 CMLD2_000111 OC(CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)C4=CCCCC4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F17 mock treatment 0.0098 0.0091 0.37 0.0056 0.00625 0.25 0.4386 0.9824 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F18 mock treatment 0.0128 0.0121 0.49 0.0066 0.00725 0.29 0.5527 0.969 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F19 compound treatment 0.0108 0.0101 0.41 0.0136 0.0143 0.57 0.6944 0.9866 3131847 CMLD2_000112 C[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F20 compound treatment 0.0118 0.0111 0.45 0.0056 0.00625 0.25 0.496 0.962 3131848 CMLD2_000113 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1)c2ccc(Br)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F21 compound treatment 0.0118 0.0111 0.45 0.0126 0.0132 0.53 0.6933 0.9967 3011251 CMLD2_000114 CN1CCc2nc(CO)c(CO)cc2C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F22 compound treatment 0.0098 0.00911 0.37 0.0066 0.0072 0.29 0.4656 0.9927 3131849 CMLD2_000115 COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23O[C@]1(C(=O)OC)C(=O)N3[C@@H](C(=C(C)N2Cc4ccccc4)C(=O)OC)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F23 compound treatment -0.0082 -0.00889 -0.36 0.0136 0.0142 0.57 0.1484 0.22 3011252 CMLD2_000116 C[C@@H]1CC[C@@H]2N([C@H]1c3cccc(c3)N4CCOCC4)C(=O)[C@@H]5CC[C@@H](C)[C@@H](N5C2=O)c6cccc(c6)N7CCOCC7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 F24 compound treatment 0.0298 0.0291 1.18 0.0116 0.0123 0.49 1.1821 0.9248 3131850 CMLD2_000117 CCN1C(=C([C@H](N2C(=O)[C@]3(O[C@]21[C@H]4[C@@H]3C(=O)N(C)C4=O)C(=O)OC)c5ccccc5)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G01 compound treatment -0.0052 -0.0059 -0.24 -0.0034 -0.00275 -0.11 -0.2471 -0.9382 3131851 CMLD2_000118 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCN3CCOCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G02 compound treatment 0.0088 0.0081 0.33 -0.0054 -0.00475 -0.19 0.0975 0.2566 3131852 CMLD2_000119 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5cccc6ccccc56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G03 mock treatment -0.0062 -0.0069 -0.28 -0.0124 -0.0118 -0.47 -0.5329 -0.9684 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G04 mock treatment -0.0032 -0.0039 -0.16 0.0017 0.0023 0.09 -0.0464 -0.2536 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G05 compound treatment 0.0028 0.00211 0.09 -0.0084 -0.0078 -0.31 -0.1609 -0.4956 3011253 CMLD2_000120 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G06 compound treatment -0.0032 -0.00389 -0.16 -0.0124 -0.0117 -0.47 -0.4451 -0.8948 3131853 CMLD2_000121 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G07 compound treatment 0.0028 0.00211 0.09 -0.0075 -0.0068 -0.27 -0.1325 -0.4631 3011254 CMLD2_000122 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)OC2CC(CCC3CC(=NO3)CC)OC4(CCCC(COC(=O)NCCC(C)C)O4)C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G08 compound treatment -0.0012 -0.0019 -0.08 0.0026 0.00325 0.13 0.0379 0.25 3131854 CMLD2_000123 Cc1ccc(cc1)S(=O)(=O)NC(CCc2ccccc2)CC(=O)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G09 compound treatment 0.0058 0.00509 0.21 -0.0024 -0.00175 -0.07 0.0964 0.4418 3131855 CMLD2_000124 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)N3CCCCC3)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G10 compound treatment 0.0148 0.0141 0.57 0.0096 0.0103 0.41 0.6952 0.987 3011255 CMLD2_000125 O[C@H]1C=C(C=C)C2(OCCCO2)[C@H]3O[C@H]31 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G11 compound treatment -0.0012 -0.00189 -0.08 -0.0014 -7.53E-4 -0.03 -0.0757 -0.9169 3011256 CMLD2_000126 OC(CCc1ccccc1)C2=CCCOC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G12 compound treatment -0.0092 -0.0099 -0.4 0.0076 0.00825 0.33 -0.0495 -0.0951 3131856 CMLD2_000127 C[C@H]1OC=C2[C@H](O)[C@H]3O[C@H]3C(=O)[C@@]42[C@H]5OC(C)[C@@H]([C@H]14)C6=C5[C@H](OC(=O)C)[C@H]7O[C@H]7C6=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G13 compound treatment -0.0262 -0.0269 -1.09 0.0026 0.00325 0.13 -0.6793 -0.6181 3011257 CMLD2_000128 C[C@@H]1CC[C@@H]2N(C[C@H](O)CNC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G14 compound treatment -0.0122 -0.0129 -0.52 -0.0364 -0.0357 -1.44 -1.3845 -0.9062 3131857 CMLD2_000129 CC/C=C\CCC(OC(=O)c1ccc(Br)cc1)C2=CCCCC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G15 compound treatment 0.0068 0.00609 0.25 0.0056 0.0063 0.25 0.3536 0.9999 3011258 CMLD2_000130 CON(C)C(=O)c1nnc2c3ccccc3n(c2n1)S(=O)(=O)c4ccc(C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G16 mock treatment -0.0032 -0.0039 -0.16 0.0026 0.00325 0.13 -0.0195 -0.0949 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G17 compound treatment 0.0088 0.00809 0.33 0.0117 0.0123 0.49 0.5814 0.9803 3131858 CMLD2_000131 COC(=O)C/C=C/[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G18 compound treatment -0.0172 -0.0179 -0.73 -0.0104 -0.0098 -0.39 -0.7909 -0.9588 3131859 CMLD2_000132 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCCCc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G19 mock treatment 8.0E-4 1.02E-4 0.0 6.0E-4 0.00125 0.05 0.0385 0.7627 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G20 mock treatment 0.0038 0.0031 0.13 -0.0184 -0.0177 -0.71 -0.4136 -0.5731 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G21 compound treatment -0.0062 -0.00689 -0.28 -4.0E-4 2.51E-4 0.01 -0.1906 -0.6811 3011259 CMLD2_000133 CN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G22 compound treatment 0.0088 0.0081 0.33 6.0E-4 0.00125 0.05 0.2679 0.8059 3131977 CMLD2_000134 COC(=O)C1=C2N(Cc3ccccc3)C(=C([C@H](N2C(=O)[C@@](O)(C1)C(=O)OC)c4ccccc4)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G23 compound treatment -0.0282 -0.0289 -1.17 -0.0335 -0.0328 -1.32 -1.7595 -0.9983 3011260 CMLD2_000135 C[C@H]1CC[C@@H]2N([C@@H]1c3cccc(CC=C)c3)C(=O)[C@@H]4CC[C@H](C)[C@H](N4C2=O)c5cccc(CC=C)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 G24 compound treatment -0.0022 -0.0029 -0.12 -0.0174 -0.0167 -0.67 -0.5573 -0.8185 3131978 CMLD2_000136 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C(C[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c4ccccc4)C(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H01 compound treatment -0.0122 -0.0129 -0.52 -0.0094 -0.00875 -0.35 -0.6187 -0.9812 3131979 CMLD2_000137 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCC(C)C)O3)O2)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H02 compound treatment -2.0E-4 -8.98E-4 -0.04 -0.0164 -0.0157 -0.63 -0.473 -0.7466 3131980 CMLD2_000138 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H03 mock treatment -0.0112 -0.0119 -0.48 -0.0314 -0.0307 -1.23 -1.2127 -0.9161 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H04 mock treatment -0.0052 -0.00591 -0.24 -0.0184 -0.0177 -0.71 -0.6734 -0.8956 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H05 compound treatment 8.0E-4 1.06E-4 0.0 -4.0E-4 2.51E-4 0.01 0.0102 0.9275 3011261 CMLD2_000139 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H06 compound treatment -0.0172 -0.0179 -0.73 -0.0204 -0.0197 -0.79 -1.0729 -0.9991 3131981 CMLD2_000140 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H07 compound treatment -2.0E-4 -8.98E-4 -0.04 -0.0034 -0.00275 -0.11 -0.1039 -0.8929 3422360 CMLD2_000141 CCC1=NOC(CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCc5cccc6OCOc65)C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H08 compound treatment 0.0048 0.0041 0.17 -0.0043 -0.0037 -0.15 0.0126 0.0564 3010278 CMLD2_000142 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(ccc45)c6ccc(Br)cc6)CCCc3n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H09 compound treatment -0.0132 -0.0139 -0.56 0.0026 0.00325 0.13 -0.3065 -0.5294 3011262 CMLD2_000143 CON(C)C(=O)c1nnc2c3ccccc3[nH]c2n1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H10 compound treatment 0.0098 0.0091 0.37 0.0015 0.0022 0.09 0.3235 0.8524 3011263 CMLD2_000144 C/C=C/C1=C(CO)C(=O)[C@@H]2O[C@@H]2C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H11 compound treatment -0.0012 -0.00191 -0.08 -0.0073 -0.0067 -0.27 -0.2449 -0.875 3011264 CMLD2_000145 CCOC(=O)CC(CC(=O)C)C(=O)OCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H12 compound treatment -0.0022 -0.0029 -0.12 -0.0214 -0.0207 -0.83 -0.6709 -0.7991 3131982 CMLD2_000146 CCOC(=O)C1=NO[C@@]2(C1)C=C(Br)C3(OCCCO3)[C@H]4O[C@H]42 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H13 compound treatment -0.0332 -0.0339 -1.38 -0.0284 -0.0277 -1.11 -1.7589 -0.9945 3011265 CMLD2_000147 OC(C1CCCCC1)C2=CCCCC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H14 compound treatment -0.0132 -0.0139 -0.56 -0.0014 -7.49E-4 -0.03 -0.4201 -0.7437 3011266 CMLD2_000148 OC(C1=CCCCC1=O)c2ccc(cc2)[N+](=O)[O-] 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H15 compound treatment -0.0082 -0.0089 -0.36 -0.0114 -0.0107 -0.43 -0.559 -0.9962 3131983 CMLD2_000149 CC1(C)O[C@H]2OC([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@H](O)[C@H]2O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H16 compound treatment -0.0012 -0.0019 -0.08 0.0016 0.00225 0.09 0.0095 0.08 3011267 CMLD2_000150 COCOc1ccc(Br)cc1C(=O)[C@@H]2O[C@H]2c3cccc(OC)c3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H17 compound treatment -0.0042 -0.0049 -0.2 0.0036 0.00425 0.17 -0.0198 -0.0758 3131984 CMLD2_000151 C[C@@H]1OC=C2[C@@H](O)[C@H]3O[C@H]3C(=O)[C@]42[C@H]5O[C@H](C)[C@@H]([C@@H]14)C6=C5[C@@H](O)[C@H]7O[C@H]7C6=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H18 compound treatment -0.0082 -0.0089 -0.36 -0.0104 -0.0097 -0.39 -0.5306 -0.9993 3011268 CMLD2_000152 COc1ccc(C#C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H19 mock treatment -0.0292 -0.0299 -1.21 -0.0144 -0.0137 -0.55 -1.2466 -0.936 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H20 mock treatment -0.0052 -0.0059 -0.24 -0.0034 -0.00275 -0.11 -0.2473 -0.9385 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H21 compound treatment -0.0032 -0.00391 -0.16 -4.0E-4 2.51E-4 0.01 -0.1049 -0.6608 3131985 CMLD2_000153 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](C(=O)N(C)C4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H22 compound treatment 0.0088 0.00812 0.33 0.0026 0.0032 0.13 0.3238 0.9158 3131715 CMLD2_000154 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]([C@@H]3C(=O)c5ccccc5)c6ccccc6)C(=O)OC)N([C@@H]1c7ccccc7)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H23 compound treatment -0.1204 -0.121 -4.91 -0.1361 -0.135 -5.44 -7.3183 -0.9987 3011247 CMLD2_000155 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(cc3)c4ccco4)C(=O)[C@@H]5CC[C@@H](C)[C@@H](N5C2=O)c6ccc(cc6)c7ccco7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 H24 compound treatment 0.0028 0.0021 0.09 0.0076 0.00825 0.33 0.2946 0.861 3131986 CMLD2_000156 COC(=O)C1=C(C)N(Cc2ccccc2)c3c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)c(=O)n3[C@@H]1c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I01 compound treatment -0.0042 -0.00489 -0.2 6.0E-4 0.00125 0.05 -0.1048 -0.5119 3131987 CMLD2_000157 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCc5cccc6ccccc56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I02 compound treatment 0.0048 0.00409 0.17 -4.0E-4 2.51E-4 0.01 0.1245 0.7487 3011269 CMLD2_000158 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCc3cccc4ccccc34)O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I03 compound treatment 0.0018 0.0011 0.04 0.0027 0.0033 0.13 0.1253 0.8959 3131988 CMLD2_000159 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I04 compound treatment -0.0072 -0.0079 -0.32 -0.0084 -0.00775 -0.31 -0.4465 -0.9999 3011270 CMLD2_000160 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I05 mock treatment 0.0048 0.00409 0.17 -0.0024 -0.00175 -0.07 0.0677 0.3756 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I06 mock treatment -0.0142 -0.0149 -0.6 -0.0044 -0.00375 -0.15 -0.5331 -0.8573 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I07 compound treatment -0.0082 -0.00888 -0.36 -0.0045 -0.0038 -0.15 -0.3625 -0.9269 3422373 CMLD2_000161 CCC1=NOC(CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5cccc6OCOc65)C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I08 compound treatment -0.0162 -0.0169 -0.68 -0.0084 -0.0078 -0.31 -0.7055 -0.9372 3011271 CMLD2_000162 COC(=O)NC/C=C\c1nc(CCCO)co1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I09 compound treatment 0.0028 0.0021 0.09 0.0137 0.0143 0.57 0.4664 0.8033 3131989 CMLD2_000163 CCCC[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I10 compound treatment 0.0108 0.0101 0.41 0.0097 0.0103 0.41 0.5819 1.0 3011272 CMLD2_000164 CO[C@@H]1[C@@H](C)/C(=C\CC(=O)OC)/c2ccccc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I11 compound treatment 0.0048 0.00411 0.17 0.0026 0.00325 0.13 0.2102 0.9927 3131990 CMLD2_000165 CC(=NOCc1ccc(cc1)c2cc(no2)c3ccccc3)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I12 compound treatment 8.0E-4 1.12E-4 0.0 -0.0034 -0.0028 -0.11 -0.0763 -0.678 3131991 CMLD2_000166 COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@H]1O[C@H](CO)[C@@H](O)C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I13 compound treatment -0.0072 -0.00789 -0.32 -0.0095 -0.0088 -0.35 -0.4761 -0.9988 3011273 CMLD2_000167 C=CC(=O)N1C(=O)c2ccccc2S1(=O)=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I14 compound treatment -0.0292 -0.0299 -1.21 -0.0185 -0.0178 -0.71 -1.3622 -0.9683 3131992 CMLD2_000168 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C#Cc3ccccc3)cc2)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I15 compound treatment -0.0022 -0.0029 -0.12 -0.0134 -0.0127 -0.51 -0.4451 -0.8474 3011274 CMLD2_000169 CC(C)OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I16 mock treatment 8.0E-4 1.02E-4 0.0 -0.0144 -0.0137 -0.55 -0.3875 -0.7018 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I17 compound treatment -0.0042 -0.0049 -0.2 0.0076 0.0083 0.33 0.0953 0.2455 3131993 CMLD2_000170 C[C@H]1OC=C2[C@H](O)C3O[C@@H]3/C(=N\OCc4ccccc4)/[C@@]52[C@H]6OC(C)[C@@H](C15)C7=C6[C@H](O)[C@H]8O[C@H]8C7=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I18 compound treatment -0.0052 -0.0059 -0.24 -0.0094 -0.0088 -0.35 -0.4189 -0.982 3011312 CMLD2_000171 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCCc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I19 compound treatment -0.0092 -0.0099 -0.4 6.0E-4 0.00125 0.05 -0.2483 -0.6138 3131989 CMLD2_000172 CCCC[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I20 compound treatment 0.0038 0.0031 0.13 0.0097 0.0103 0.41 0.3815 0.8822 3011257 CMLD2_000173 C[C@@H]1CC[C@@H]2N(C[C@H](O)CNC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I21 mock treatment -0.0052 -0.0059 -0.24 0.0147 0.0153 0.61 0.2654 0.4025 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I22 mock treatment 0.0138 0.0131 0.53 0.0096 0.0103 0.41 0.6665 0.9921 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I23 compound treatment -0.0012 -0.0019 -0.08 0.0056 0.0063 0.25 0.1245 0.4707 3132111 CMLD2_000174 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(NC(=O)C)cc3)C(=O)[C@@H]4CC[C@@H](C)[C@@H](N4C2=O)c5ccc(NC(=O)C)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 I24 compound treatment -0.0142 -0.0149 -0.6 0.0026 0.00325 0.13 -0.3351 -0.5419 3131703 CMLD2_000175 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@@H]5[C@H]3C(=O)N(C5=O)c6ccccc6)C(=O)OC)N([C@@H]1c7ccccc7)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J01 compound treatment -0.0202 -0.0209 -0.85 -0.0214 -0.0207 -0.83 -1.1873 -1.0 3132112 CMLD2_000176 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5cccc6ccccc56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J02 compound treatment -0.0082 -0.00891 -0.36 -0.0354 -0.0347 -1.4 -1.2422 -0.8617 3011347 CMLD2_000177 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J03 compound treatment -0.0182 -0.0189 -0.77 -0.0063 -0.0057 -0.23 -0.7035 -0.8799 3132113 CMLD2_000178 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J04 compound treatment -0.0012 -0.0019 -0.08 -0.0054 -0.00475 -0.19 -0.1893 -0.9204 3132114 CMLD2_000179 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J05 mock treatment -0.0132 -0.0139 -0.56 -0.0094 -0.0087 -0.35 -0.6458 -0.9735 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J06 mock treatment 0.0038 0.0031 0.13 -0.0104 -0.0097 -0.39 -0.1866 -0.4557 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J07 compound treatment -0.0162 -0.0169 -0.69 -0.0114 -0.0107 -0.43 -0.7901 -0.9751 3011348 CMLD2_000180 CC(C)C[C@H](NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45)C(=O)NCC(c6ccccc6)c7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J08 compound treatment -0.0132 -0.0139 -0.56 -0.0094 -0.0087 -0.35 -0.6458 -0.9735 3132115 CMLD2_000181 CO[C@H]1C[C@@H]2C[C@H](CC(CC(=O)O[C@H](C[C@@H]3CC[C@H](C)[C@@H](C1)O3)/C=C/CC(C)C)O2)OC(=O)\C=C/CCc4coc(\C=C/CNC(=O)OC)n4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J09 compound treatment -0.0072 -0.00791 -0.32 -0.0124 -0.0117 -0.47 -0.559 -0.9827 3011349 CMLD2_000182 C[C@@H]1CC[C@@H]2N(C[C@@H](COS(=O)(=O)c3ccc(C)cc3)OC2=O)[C@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J10 compound treatment -0.0042 -0.00491 -0.2 -0.0144 -0.0137 -0.55 -0.5312 -0.905 3132116 CMLD2_000183 CO[C@@H](C(C)C)[C@@H](C)C1OC(=O)CC1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J11 compound treatment 0.0068 0.0061 0.25 -0.0034 -0.0027 -0.11 0.0983 0.364 3132117 CMLD2_000184 COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@](Oc3ccccc3C1=O)(C(=O)OC)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J12 compound treatment -0.0062 -0.0069 -0.28 -0.0114 -0.0107 -0.43 -0.5016 -0.9784 3011350 CMLD2_000185 CC(=NOCc1cccc(c1)c2cc(no2)c3ccccc3)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J13 compound treatment -0.0152 -0.0159 -0.65 -0.0303 -0.0297 -1.19 -1.2995 -0.9584 3132118 CMLD2_000186 CC(C)C(=O)N[C@@H]1CCCN1C(=O)/C=C/c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J14 compound treatment 0.0058 0.00512 0.21 -0.0104 -0.00975 -0.39 -0.13 -0.2933 3011352 CMLD2_000187 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C=C)cc2)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J15 compound treatment -0.0152 -0.0159 -0.65 -0.0054 -0.00475 -0.19 -0.591 -0.8786 3132119 CMLD2_000188 CO[C@H](CO)COc1ccc(OC)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J16 compound treatment -0.0112 -0.0119 -0.48 -0.0104 -0.0097 -0.39 -0.6169 -0.9943 3011353 CMLD2_000189 Oc1ccccc1C(=O)/C=C/c2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J17 compound treatment -0.0182 -0.0189 -0.77 0.0016 0.00225 0.09 -0.4784 -0.6196 3132120 CMLD2_000190 CC(=NOCc1ccc(cc1)c2cn(nn2)[C@@H]3COC[C@H]3O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J18 compound treatment 0.0028 0.00211 0.09 -0.0094 -0.0087 -0.35 -0.1866 -0.519 3011354 CMLD2_000191 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CC(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J19 compound treatment -0.0142 -0.0149 -0.6 -0.0193 -0.0187 -0.75 -0.9585 -0.9942 3132121 CMLD2_000192 C[C@@H]1CC[C@@H]2N(CC(COCC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J20 compound treatment -0.0132 -0.0139 -0.56 6.0E-4 0.00125 0.05 -0.3633 -0.6416 3011355 CMLD2_000193 CC(C)CCN1CCc2nc(c3ccccc3)c4C[C@H](C)OCc4c2C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J21 mock treatment 0.0118 0.0111 0.45 0.0086 0.00925 0.37 0.5811 0.9955 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J22 mock treatment -0.0152 -0.0159 -0.64 -0.0034 -0.00275 -0.11 -0.5337 -0.8164 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J23 compound treatment -0.0052 -0.00589 -0.24 0.0026 0.0032 0.13 -0.0779 -0.2874 3132122 CMLD2_000194 C[C@@H]1CC[C@@H]2N([C@H]1c3cccc(Br)c3)C(=O)[C@@H]4CC[C@@H](C)[C@@H](N4C2=O)c5cccc(c5)N6CCOCC6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 J24 compound treatment -0.0012 -0.0019 -0.08 0.0026 0.00325 0.13 0.0379 0.25 3132123 CMLD2_000195 CCC(=O)[C@@]1(O[C@@]23[C@H]4[C@@H]1CCOC4=O)C(=O)N3[C@@H](C(=C(C)N2Cc5ccccc5)C(=O)OC)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K01 compound treatment -0.0172 -0.0179 -0.73 -0.0045 -0.0038 -0.15 -0.6214 -0.8374 3132124 CMLD2_000196 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K02 compound treatment -0.0112 -0.0119 -0.48 -0.0074 -0.00675 -0.27 -0.5327 -0.9628 3011357 CMLD2_000197 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K03 compound treatment -0.0062 -0.0069 -0.28 -0.0154 -0.0147 -0.59 -0.6166 -0.9414 3132125 CMLD2_000198 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOC)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K04 compound treatment -0.0072 -0.0079 -0.32 -4.0E-4 2.51E-4 0.01 -0.2193 -0.6845 3132126 CMLD2_000199 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC(c4ccccc4)c5ccccc5)O3)O2)OC(=O)NCCc6ccc(F)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K05 compound treatment -2.0E-4 -8.88E-4 -0.04 0.0056 0.00625 0.25 0.152 0.5995 3011359 CMLD2_000200 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K06 compound treatment -0.0092 -0.00989 -0.4 -0.0164 -0.0158 -0.63 -0.7322 -0.9755 3132127 CMLD2_000201 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccccc4OC)O3)O2)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K07 mock treatment 8.0E-4 1.12E-4 0.0 -0.0354 -0.0347 -1.4 -0.9836 -0.7048 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K08 mock treatment 0.0068 0.0061 0.25 -0.0134 -0.0127 -0.51 -0.1856 -0.3275 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K09 compound treatment -2.0E-4 -8.98E-4 -0.04 -0.0074 -0.00675 -0.27 -0.2174 -0.795 3011360 CMLD2_000202 COc1cccc(c1)[C@H](O)Cn2cc(nn2)c3ccc(CON=C(C)C)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K10 compound treatment 0.0078 0.0071 0.29 0.0066 0.0073 0.29 0.411 1.0 3132128 CMLD2_000203 Cc1ccc2[nH]c3nc(CCCn4ccnc4c5ccccc5)nnc3c2c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K11 compound treatment 0.0028 0.0021 0.09 -0.0104 -0.0098 -0.39 -0.218 -0.5414 3011361 CMLD2_000204 COC(=O)C1=C(C)[C@@H](O)[C@@H](C)[C@@H](O1)c2c(OC)c(OC)c(C)c(OC)c2OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K12 compound treatment -0.0042 -0.00488 -0.2 -0.0034 -0.0028 -0.11 -0.2194 -0.9641 3132129 CMLD2_000205 C[C@H]1OC=C2[C@H](OC(=O)C)[C@H]3O[C@H]3C(=O)[C@@]42[C@H]5OC(C)[C@@H]([C@H]14)C6=C5[C@H](O)[C@H]7O[C@H]7C6=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K13 compound treatment -0.0082 -0.00888 -0.36 -0.0244 -0.0237 -0.95 -0.9276 -0.9116 3011362 CMLD2_000206 CO[C@H]1C[C@@H]2C[C@H](O)CC(CC(=O)O[C@H](C[C@@H]3CC[C@H](C)[C@@H](C1)O3)/C=C/CC(C)C)O2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K14 compound treatment -0.0072 -0.00788 -0.32 -0.0134 -0.0127 -0.51 -0.5879 -0.9742 3011258 CMLD2_000207 CON(C)C(=O)c1nnc2c3ccccc3n(c2n1)S(=O)(=O)c4ccc(C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K15 mock treatment -0.0092 -0.0099 -0.4 0.0026 0.00325 0.13 -0.1915 -0.4537 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K16 mock treatment 0.0118 0.0111 0.45 0.0086 0.0093 0.37 0.5822 0.9957 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K17 compound treatment -0.3174 -0.318 -12.9 -0.3221 -0.321 -12.91 -18.2507 -1.0 3132248 CMLD2_000208 CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C53OCCCO5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K18 compound treatment -0.0072 -0.0079 -0.32 0.0016 0.00225 0.09 -0.1626 -0.4884 3011363 CMLD2_000209 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)c3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K19 compound treatment -0.0052 -0.00589 -0.24 6.0E-4 0.00125 0.05 -0.1335 -0.5465 3132249 CMLD2_000210 C[C@@H]1CC[C@@H]2N(CC(COC(=O)C(=C)C)OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K20 compound treatment -0.0142 -0.0149 -0.6 -0.0155 -0.0148 -0.59 -0.8469 -1.0 3011399 CMLD2_000211 CCCCc1nc2CCN(CCC(C)C)Cc2c3CO[C@@H](C)Cc13 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K21 compound treatment -0.0042 -0.00489 -0.2 0.0016 0.00225 0.09 -0.0764 -0.3504 3132250 CMLD2_000212 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](C(=O)N(C4=O)c5ccccc5)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K22 compound treatment 0.0088 0.0081 0.33 6.0E-4 0.00125 0.05 0.2679 0.8059 3011400 CMLD2_000213 C[C@@H]1CC[C@H](N[C@H]1c2ccc(cc2)c3ccco3)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K23 mock treatment 0.0048 0.00411 0.17 0.0046 0.00525 0.21 0.2669 0.9932 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 K24 mock treatment 0.0118 0.0111 0.45 0.0036 0.00425 0.17 0.4388 0.912 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L01 compound treatment -0.0042 -0.00489 -0.2 -0.0233 -0.0227 -0.91 -0.7849 -0.8414 3132251 CMLD2_000214 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L02 compound treatment -0.0022 -0.0029 -0.12 -0.0014 -7.49E-4 -0.03 -0.1044 -0.8603 3132252 CMLD2_000215 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L03 compound treatment 0.0078 0.00712 0.29 -0.0034 -0.00275 -0.11 0.1262 0.408 3011402 CMLD2_000216 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L04 compound treatment -0.0012 -0.0019 -0.08 -0.0044 -0.00375 -0.15 -0.1609 -0.9515 3132253 CMLD2_000217 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L05 compound treatment -0.0062 -0.0069 -0.28 -0.0064 -0.00575 -0.23 -0.3611 -0.9955 3132254 CMLD2_000218 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L06 compound treatment -0.0222 -0.0229 -0.93 -0.0124 -0.0117 -0.47 -0.9905 -0.9507 3011403 CMLD2_000219 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L07 mock treatment -0.0192 -0.0199 -0.81 -0.0044 -0.00375 -0.15 -0.6773 -0.8247 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L08 mock treatment -0.0042 -0.0049 -0.2 0.0036 0.00425 0.17 -0.0198 -0.0758 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L09 compound treatment 0.0108 0.0101 0.41 0.0167 0.0173 0.69 0.781 0.9683 3132255 CMLD2_000220 C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@H]2[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L10 compound treatment 0.0298 0.0291 1.18 0.0116 0.0123 0.49 1.183 0.9247 3132256 CMLD2_000221 COc1ccc(cc1)c2ccc3N(CC(O)CN4CCCc5nc(C)c(C)cc45)CCCc3n2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L11 compound treatment 0.0108 0.0101 0.41 0.0086 0.00925 0.37 0.5524 0.9988 3011404 CMLD2_000222 CCOC(=O)C1=NO[C@]2(C1)C=C(Br)C3(OCCCO3)[C@H]4O[C@H]42 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L12 compound treatment 0.0078 0.0071 0.29 -0.0014 -7.49E-4 -0.03 0.1824 0.6299 3011405 CMLD2_000223 OC(CCc1ccccc1)C2=CCCC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L13 compound treatment 0.0038 0.0031 0.13 -0.0074 -0.00675 -0.27 -0.1027 -0.3437 3132257 CMLD2_000224 OC(CCc1ccccc1)C23OC3CCCC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L14 compound treatment 0.0018 0.0011 0.04 0.0036 0.00425 0.17 0.1522 0.8633 3132258 CMLD2_000225 CCCNC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(OC)cc2)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L15 mock treatment -0.0072 -0.0079 -0.32 0.0046 0.00525 0.21 -0.0773 -0.2017 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L16 mock treatment 0.0118 0.0111 0.45 0.0026 0.00325 0.13 0.4103 0.876 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L17 compound treatment 0.0218 0.0211 0.86 0.0086 0.00925 0.37 0.8676 0.9303 3011407 CMLD2_000226 C[C@H]1CC[C@@H]2N([C@@H]1c3ccccc3)C(=O)[C@@H](Cc4ccccc4)NC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L18 compound treatment -0.0042 -0.0049 -0.2 0.0016 0.00225 0.09 -0.0765 -0.3507 3132259 CMLD2_000227 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L19 compound treatment 0.0108 0.0101 0.41 0.0116 0.0123 0.49 0.6386 0.9956 3132260 CMLD2_000228 C[C@@H]1CC[C@@H]2N(CC(CN3C(=O)c4ccccc4C3=O)OC2=O)[C@H]1c5ccc(Br)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L20 compound treatment -0.0052 -0.0059 -0.24 0.0066 0.00725 0.29 0.0368 0.0976 3011408 CMLD2_000229 CC(C)CCN1CCc2nc(COc3ccccc3)c4C[C@H](C)OCc4c2C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L21 compound treatment 0.0078 0.00711 0.29 -0.0124 -0.0117 -0.47 -0.1299 -0.2349 3132261 CMLD2_000230 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](CCCC4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L22 compound treatment 0.0128 0.0121 0.49 0.0106 0.0113 0.45 0.6665 0.9991 3011409 CMLD2_000231 C[C@H]1CC[C@H](N[C@@H]1c2ccc(C#CCN(C)C)cc2)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L23 mock treatment 0.0078 0.0071 0.29 0.0197 0.0203 0.82 0.7801 0.9023 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 L24 mock treatment 0.0288 0.0281 1.14 0.0237 0.0243 0.98 1.4956 0.997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M01 compound treatment 8.0E-4 1.12E-4 0.0 -4.0E-4 2.51E-4 0.01 0.0103 0.9348 3132262 CMLD2_000232 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc4ccccc34)O2)O1)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M02 compound treatment -0.0052 -0.00588 -0.24 0.0126 0.0133 0.53 0.2077 0.3563 3132263 CMLD2_000233 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccccc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M03 compound treatment 0.0018 0.00111 0.05 -0.0084 -0.0078 -0.31 -0.1896 -0.5991 3011410 CMLD2_000234 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC3CCCCC3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M04 compound treatment 0.0068 0.00611 0.25 -0.0065 -0.0058 -0.23 0.0106 0.0311 3132264 CMLD2_000235 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCC(C)C)O3)O2)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M05 compound treatment 0.0078 0.00711 0.29 -0.0155 -0.0148 -0.59 -0.2163 -0.3274 3132265 CMLD2_000236 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M06 compound treatment 0.0098 0.00911 0.37 -0.0064 -0.00575 -0.23 0.098 0.225 3011411 CMLD2_000237 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M07 compound treatment 0.0038 0.00311 0.13 -4.0E-4 2.51E-4 0.01 0.0964 0.7612 3132266 CMLD2_000238 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccncc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M08 compound treatment 0.0128 0.0121 0.49 0.0056 0.00625 0.25 0.5248 0.9514 3011412 CMLD2_000239 CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M09 mock treatment 0.0178 0.0171 0.69 -5.0E-4 2.01E-4 0.01 0.4958 0.7153 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M10 mock treatment -2.0E-4 -8.98E-4 -0.04 0.0056 0.00625 0.25 0.1518 0.5983 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M11 compound treatment -0.0022 -0.00289 -0.12 0.0146 0.0153 0.61 0.3503 0.5617 3132389 CMLD2_000240 COC(=O)C/C=C/[C@@H](C)[C@H]1O[C@H](CO)[C@@H](O)C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M12 compound treatment -0.0042 -0.00488 -0.2 0.0097 0.0103 0.41 0.1526 0.3329 3011413 CMLD2_000241 O=C1CCCC(C1)C2=CCCCC2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M13 mock treatment -0.0042 -0.00488 -0.2 -0.0074 -0.00675 -0.27 -0.3315 -0.988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M14 mock treatment 0.0088 0.00811 0.33 0.0066 0.00725 0.29 0.4385 0.9982 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M15 compound treatment 0.0098 0.0091 0.37 0.0137 0.0143 0.57 0.6671 0.9771 3132390 CMLD2_000242 Cc1cc2N(CC(O)CN3CCCc4nc(ccc34)c5ccc(Br)cc5)CCCCc2nc1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M16 compound treatment -0.0132 -0.0139 -0.56 0.0036 0.00425 0.17 -0.2778 -0.4717 3011415 CMLD2_000243 CCO[C@@H]([C@H](C)/C=C/CC(=O)OC)c1cc(OC)cc([N+](=O)[O-])c1OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M17 mock treatment 0.0148 0.0141 0.57 0.0016 0.00225 0.09 0.4686 0.8088 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M18 compound treatment 0.0018 0.00111 0.05 -0.0204 -0.0197 -0.79 -0.5289 -0.6658 3132391 CMLD2_000244 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#CCC2CCCCC2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M19 compound treatment 0.0098 0.00909 0.37 0.0126 0.0133 0.53 0.637 0.9839 3132392 CMLD2_000245 C[C@@H]1CC[C@@H]2N(CC(Cc3ccccc3)OC2=O)[C@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M20 compound treatment 0.0028 0.00211 0.09 -0.0075 -0.0068 -0.27 -0.1325 -0.4631 3011466 CMLD2_000246 COc1ccc(cc1)c2nc3CCN(CCC(C)C)Cc3c4CO[C@@H](C)Cc24 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M21 compound treatment 0.0078 0.00709 0.29 0.0107 0.0113 0.45 0.5243 0.9758 3132393 CMLD2_000247 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](CCOC4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M22 compound treatment 0.0088 0.0081 0.33 0.0106 0.0113 0.45 0.5518 0.9877 3011467 CMLD2_000248 C[C@H]1CC[C@H](N[C@@H]1c2cccc(c2)N3CCCC3=O)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M23 compound treatment 0.0018 0.00111 0.04 0.0066 0.00725 0.29 0.2376 0.8065 3132394 CMLD2_000249 C[C@@H]1CC[C@@H]2N([C@H]1c3ccc(Br)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 M24 compound treatment 0.0018 0.0011 0.04 -0.0054 -0.00475 -0.19 -0.1033 -0.5272 3132261 CMLD2_000250 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](CCCC4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N01 compound treatment -0.0132 -0.0139 -0.56 -0.0273 -0.0267 -1.07 -1.157 -0.955 3132395 CMLD2_000251 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N02 compound treatment -0.0272 -0.0279 -1.13 -0.0343 -0.0337 -1.35 -1.7572 -0.996 3132396 CMLD2_000252 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOc4ccccc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N03 compound treatment -0.0332 -0.0339 -1.38 -0.0164 -0.0157 -0.63 -1.4181 -0.9375 3011471 CMLD2_000253 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCCN3CCCC3=O)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N04 compound treatment -0.0282 -0.0289 -1.17 -0.0233 -0.0227 -0.91 -1.4735 -0.9923 3132397 CMLD2_000254 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCOC)O3)O2)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N05 compound treatment -0.0082 -0.0089 -0.36 -0.0104 -0.00975 -0.39 -0.532 -0.9992 3011472 CMLD2_000255 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCCc4ccc(F)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N06 compound treatment -0.0102 -0.0109 -0.44 -0.0204 -0.0197 -0.79 -0.8733 -0.9619 3132398 CMLD2_000256 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4cccc(c4)C(F)(F)F)O3)O2)OC(=O)NCc5cccc6ccccc56 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N07 compound treatment -0.0102 -0.0109 -0.44 -0.0223 -0.0217 -0.87 -0.9286 -0.9504 3132399 CMLD2_000257 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCc4ccc5OCOc5c4)O3)O2)OC(=O)NCc6cccc7ccccc67 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N08 compound treatment -0.0062 -0.0069 -0.28 -0.0324 -0.0317 -1.27 -1.0981 -0.8424 3011473 CMLD2_000258 Cc1ccc(cc1)S(=O)(=O)n2c3ccccc3c4nnc(nc24)C(=O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N09 mock treatment -0.0232 -0.0239 -0.97 -0.0474 -0.0467 -1.88 -2.0131 -0.9527 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N10 mock treatment -2.0E-4 -8.98E-4 -0.04 6.0E-4 0.00125 0.05 0.0098 0.1575 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N11 compound treatment -0.0242 -0.0249 -1.01 -0.0104 -0.0097 -0.39 -0.9897 -0.9142 3011475 CMLD2_000259 BrC1=CC(=C)[C@@H]2O[C@@H]2C31OCCCO3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N12 compound treatment -0.0022 -0.0029 -0.12 -0.0034 -0.00275 -0.11 -0.1613 -0.9995 3132400 CMLD2_000260 CCCCOC(OCCCC)C(O)CSc1ccc2ccccc2c1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N13 mock treatment -0.0042 -0.0049 -0.2 -0.0054 -0.00475 -0.19 -0.2753 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N14 mock treatment -0.0062 -0.0069 -0.28 -0.0104 -0.0097 -0.39 -0.4733 -0.9868 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N15 compound treatment 0.0158 0.0151 0.61 -0.0184 -0.0177 -0.71 -0.071 -0.0755 3011477 CMLD2_000261 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N16 compound treatment -0.0612 -0.0619 -2.51 -0.0575 -0.0568 -2.28 -3.3876 -0.9989 3132401 CMLD2_000262 CO[C@@H](C(C)C)[C@@H](C)C1OC1CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N17 compound treatment -0.0072 -0.0079 -0.32 -0.0084 -0.00775 -0.31 -0.4466 -0.9999 4845 CMLD2_000263 COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c4ccccc4)c5ccc(OC)cc5)cc(OC)cc3OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N18 compound treatment -0.0352 -0.0359 -1.46 -0.0164 -0.0157 -0.63 -1.4755 -0.9298 3011479 CMLD2_000264 CCCCC#C[C@H]1O[C@H](COC(=O)OCC)[C@@H](Oc2cc(OC)c(OC)c(OC)c2)C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N19 compound treatment -0.0102 -0.0109 -0.44 -0.0134 -0.0127 -0.51 -0.6731 -0.9975 3132403 CMLD2_000265 C[C@H]1CC[C@@H]2N(CC(COc3ccc(cc3)C(C)(C)C)OC2=O)[C@@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N20 compound treatment 0.0058 0.0051 0.21 -0.0073 -0.0067 -0.27 -0.0439 -0.1294 3011480 CMLD2_000266 C[C@H]1Cc2c(nc3CCN(CCOc4ccccc4)Cc3c2CO1)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N21 compound treatment 0.0048 0.00411 0.17 0.0086 0.0093 0.37 0.3819 0.9337 3132404 CMLD2_000267 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C([C@H](c4ccccc4)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5)C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N22 compound treatment 0.0018 0.00112 0.05 0.0015 0.0022 0.09 0.0947 0.9523 3011481 CMLD2_000268 C[C@@H]1CC[C@H](N[C@H]1c2ccc(NC(=O)C)cc2)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N23 compound treatment 0.0028 0.00211 0.09 0.0076 0.00825 0.33 0.2949 0.8615 3132405 CMLD2_000269 COc1cccc(c1)[C@@H]2[C@@H](C)CC[C@@H]3N2C(=O)[C@H](C(C)C)N(C)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 N24 compound treatment 0.0058 0.0051 0.21 0.0106 0.0113 0.45 0.4671 0.9368 3131577 CMLD2_000270 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@@H]5[C@H]3C(=O)N(C)C5=O)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O01 compound treatment -0.0052 -0.00589 -0.24 -0.0134 -0.0127 -0.51 -0.531 -0.9398 3132406 CMLD2_000271 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOC)O2)O1)OC(=O)NCc3cccc4ccccc34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O02 compound treatment -0.0072 -0.00789 -0.32 -4.0E-4 2.51E-4 0.01 -0.2191 -0.6845 3132407 CMLD2_000272 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC(c4ccccc4)c5ccccc5)O3)O2)OC(=O)NCc6ccc7OCOc7c6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O03 compound treatment -0.0132 -0.0139 -0.56 -0.0044 -0.00375 -0.15 -0.5044 -0.8658 3011482 CMLD2_000273 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O04 compound treatment 0.0038 0.00311 0.13 -0.0104 -0.0098 -0.39 -0.189 -0.4574 3132527 CMLD2_000274 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCC4CCCCC4)O3)O2)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O05 compound treatment 0.0018 0.00111 0.05 -0.0044 -0.00375 -0.15 -0.0746 -0.4745 3011483 CMLD2_000275 COCCNC(=O)OCC1CCCC2(CC(CC(CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCCc3ccc(F)cc3)O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O06 compound treatment -0.0032 -0.00389 -0.16 -0.0024 -0.00175 -0.07 -0.1612 -0.9336 3132528 CMLD2_000276 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O07 compound treatment 8.0E-4 1.12E-4 0.0 -0.0164 -0.0158 -0.63 -0.4454 -0.702 3011485 CMLD2_000277 COc1ccc2C(=O)[C@@H](O)[C@@H](Oc2c1)c3cccc(c3)C(F)(F)F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O08 compound treatment -0.0022 -0.00289 -0.12 0.0046 0.00525 0.21 0.0663 0.2748 3132529 CMLD2_000278 CCCC[C@@H]1CN2[C@@H]([C@@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O09 compound treatment -0.0022 -0.00289 -0.12 -4.0E-4 2.51E-4 0.01 -0.0757 -0.6438 3011486 CMLD2_000279 COC(=O)[C@H]1O[C@H]([C@H](C)[C@@H](O)[C@H]1C)c2c(OC)c(OC)c(C)c(OC)c2OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O10 compound treatment -0.0232 -0.0239 -0.97 -0.0255 -0.0248 -1.0 -1.3889 -0.9999 3132530 CMLD2_000280 OC(CCCCBr)C1=CCCCC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O11 mock treatment -0.0062 -0.00688 -0.28 -0.0124 -0.0118 -0.47 -0.5323 -0.9681 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O12 mock treatment -0.0072 -0.00788 -0.32 0.0016 0.00225 0.09 -0.162 -0.4878 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O13 compound treatment 0.0088 0.00811 0.33 -0.0164 -0.0158 -0.63 -0.216 -0.3023 3132531 CMLD2_000281 COC(=O)C/C=C/[C@H](C)[C@@H](OCc1ccccc1Br)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O14 compound treatment -2.0E-4 -8.88E-4 -0.04 -0.0084 -0.00775 -0.31 -0.2455 -0.7837 3011535 CMLD2_000282 COCOc1cc(OC)ccc1C(=O)/C=C/c2ccc3OCOc3c2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O15 compound treatment 0.0098 0.00911 0.37 0.0016 0.00225 0.09 0.3252 0.8549 3132532 CMLD2_000283 Nc1ccccc1C(=O)/C=C/c2ccc3OCOc3c2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O16 compound treatment 0.0048 0.00409 0.17 -0.0055 -0.0048 -0.19 -0.0189 -0.0745 3131858 CMLD2_000284 COC(=O)C/C=C/[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O17 mock treatment 0.0098 0.00909 0.37 -0.0045 -0.0038 -0.15 0.1528 0.383 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O18 compound treatment -0.0062 -0.0069 -0.28 -0.0024 -0.0018 -0.07 -0.2489 -0.8614 3011536 CMLD2_000285 OC[C@H]1O[C@@H](C=C[C@@H]1O)C#Cc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O19 compound treatment -0.0042 -0.00489 -0.2 -0.0064 -0.00575 -0.23 -0.3034 -0.9971 3132533 CMLD2_000286 C[C@H]1CC[C@@H]2N(C[C@H](COS(=O)(=O)c3ccc(C)cc3)OC2=O)[C@@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O20 compound treatment 0.0058 0.0051 0.21 -0.0254 -0.0247 -0.99 -0.5551 -0.5478 3011537 CMLD2_000287 C[C@H]1Cc2c(COc3ccccc3)nc4CCN(CCOc5ccccc5)Cc4c2CO1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O21 compound treatment 0.0028 0.0021 0.09 0.0157 0.0163 0.65 0.5232 0.7925 3132534 CMLD2_000288 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C([C@H](c4ccccc4)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5)C(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O22 compound treatment 8.0E-4 1.07E-4 0.0 0.0056 0.00625 0.25 0.1805 0.7192 3011538 CMLD2_000289 C[C@@H]1CC[C@H](N[C@H]1c2cccc(c2)N3CCOCC3)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O23 compound treatment -0.0062 -0.0069 -0.28 0.0137 0.0143 0.57 0.2083 0.3261 3132535 CMLD2_000290 CCN1C(=C([C@H](N2C(=O)[C@@](O)([C@H](C(=C12)C(=O)c3ccccc3)c4ccccc4)C(=O)OC)c5ccccc5)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 O24 compound treatment -0.0112 -0.0119 -0.48 -0.0084 -0.0078 -0.31 -0.5626 -0.9781 3132250 CMLD2_000291 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](C(=O)N(C4=O)c5ccccc5)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P01 compound treatment -0.0352 -0.0359 -1.46 -0.0574 -0.0567 -2.28 -2.6406 -0.9765 3132536 CMLD2_000292 CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P02 compound treatment -0.0252 -0.0259 -1.05 -0.0263 -0.0257 -1.03 -1.4727 -1.0 3132537 CMLD2_000293 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCc4ccc(Cl)cc4)O3)O2)OC(=O)NCc5ccc6OCOc6c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P03 compound treatment -0.0202 -0.0209 -0.85 -0.0364 -0.0357 -1.43 -1.6133 -0.9686 3011540 CMLD2_000294 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P04 compound treatment -0.0302 -0.0309 -1.25 -0.0303 -0.0297 -1.19 -1.7297 -0.9997 3132538 CMLD2_000295 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2CC(CC3(CCCC(COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCCc5ccc(F)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P05 compound treatment -0.0362 -0.0369 -1.5 -0.0354 -0.0347 -1.4 -2.0451 -0.9994 3011541 CMLD2_000296 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCCC(C)C)O2)O1)OC(=O)NCCc3ccc(F)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P06 compound treatment -0.0312 -0.0319 -1.29 -0.0214 -0.0207 -0.83 -1.5042 -0.9773 3132539 CMLD2_000297 COC(=O)[C@H](C)NC(=O)CCC1CC(CC2(CCCC(COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P07 compound treatment -0.0412 -0.0419 -1.7 -0.0564 -0.0557 -2.24 -2.7843 -0.9907 3011542 CMLD2_000298 CCN(CC)CC(O)CN1CCCCc2nc(C)c(C)cc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P08 compound treatment -0.0122 -0.0129 -0.52 -0.0263 -0.0257 -1.03 -1.0996 -0.9504 3131847 CMLD2_000299 C[C@@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P09 compound treatment -0.0302 -0.0309 -1.25 -0.0254 -0.0247 -0.99 -1.5876 -0.9933 3132540 CMLD2_000300 C[C@H]1OC=C2[C@@H](O)[C@H]3O[C@H]3C(=O)[C@@]42[C@H]5O[C@H](C)[C@@H]([C@H]14)C6=C5[C@@H](O)[C@H]7O[C@H]7C6=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P10 compound treatment -0.0192 -0.0199 -0.81 -0.0193 -0.0187 -0.75 -1.1013 -0.9994 3011543 CMLD2_000301 COCOc1ccc(Br)cc1C(=O)/C=C/c2ccc3OCOc3c2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P11 mock treatment -0.0312 -0.0319 -1.29 -0.0354 -0.0347 -1.39 -1.9004 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P12 mock treatment -0.0122 -0.0129 -0.52 -0.0274 -0.0267 -1.07 -1.1284 -0.9456 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P13 compound treatment -0.0472 -0.0479 -1.94 -0.0353 -0.0347 -1.39 -2.3591 -0.9867 3132541 CMLD2_000302 COC(OC)[C@@H](C)[C@H](OC)[C@@H](C)[C@H](OC)c1ccccc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P14 compound treatment -0.0212 -0.0219 -0.89 -0.0223 -0.0217 -0.87 -1.2444 -1.0 3011544 CMLD2_000303 CC(C)c1ccc(C)n1C(=O)OC(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P15 compound treatment -0.0082 -0.0089 -0.36 -0.0353 -0.0347 -1.39 -1.2405 -0.8618 3011545 CMLD2_000304 Brc1ccc(cc1)[C@@H]2OC(=O)C[C@@H]2c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P16 compound treatment -0.0152 -0.0159 -0.65 -0.0323 -0.0317 -1.27 -1.3563 -0.9504 3132542 CMLD2_000305 COC(=O)[C@H]1[C@@H](C(=O)[C@]2(O)c3ccccc3O[C@@]12c4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P17 mock treatment -0.0342 -0.0349 -1.42 -0.0244 -0.0237 -0.95 -1.674 -0.9813 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P18 compound treatment -0.0112 -0.0119 -0.48 -0.0323 -0.0317 -1.27 -1.2416 -0.9119 3132543 CMLD2_000306 COc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/c3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P19 compound treatment -0.0222 -0.0229 -0.93 -0.0233 -0.0227 -0.91 -1.3015 -1.0 3011546 CMLD2_000307 C[C@@H]1CCC2N(C[C@H](O)CN(Cc3ccccc3)C2=O)[C@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P20 compound treatment -0.0142 -0.0149 -0.6 -0.0154 -0.0147 -0.59 -0.845 -0.9999 3132544 CMLD2_000308 CCCCc1nc2CCN(CCOc3ccccc3)Cc2c4CO[C@@H](C)Cc14 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P21 compound treatment -0.0122 -0.0129 -0.52 -0.0223 -0.0217 -0.87 -0.9863 -0.9703 3131978 CMLD2_000309 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C(C[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c4ccccc4)C(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P22 compound treatment -0.0242 -0.0249 -1.01 -0.0294 -0.0287 -1.15 -1.5292 -0.9978 3011547 CMLD2_000310 COCC#Cc1ccc(cc1)[C@@H]2N[C@@H](CC[C@H]2C)C(=O)O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P23 compound treatment -0.0122 -0.0129 -0.52 -0.0353 -0.0347 -1.39 -1.3549 -0.9104 3132545 CMLD2_000311 COc1cccc(c1)[C@@H]2[C@@H](C)CC[C@@H]3N2C(=O)[C@@H]4CC[C@H](C)[C@H](N4C3=O)c5cccc(OC)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2109 P24 compound treatment -0.0382 -0.0389 -1.58 -0.0254 -0.0247 -0.99 -1.8179 -0.9752 3132534 CMLD2_000312 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C([C@H](c4ccccc4)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5)C(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A01 compound treatment -0.0481 -0.0477 -1.93 -0.0415 -0.0431 -1.73 -2.5916 -0.9985 3132546 CMLD2_000313 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A02 compound treatment -0.0511 -0.0507 -2.06 -0.0355 -0.0371 -1.49 -2.5072 -0.9876 3011548 CMLD2_000314 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A03 compound treatment -0.0251 -0.0247 -1.0 -0.0476 -0.0491 -1.97 -2.1025 -0.9505 3130471 CMLD2_000315 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A04 compound treatment -0.0321 -0.0317 -1.28 -0.0566 -0.0581 -2.33 -2.5588 -0.9604 3130472 CMLD2_000316 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A05 compound treatment -0.0431 -0.0427 -1.73 -0.0425 -0.0441 -1.77 -2.4766 -0.9999 3011549 CMLD2_000317 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A06 compound treatment -0.0421 -0.0417 -1.69 -0.0495 -0.0511 -2.05 -2.6467 -0.9953 3011597 CMLD2_000318 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A07 compound treatment -0.0361 -0.0357 -1.45 -0.0635 -0.0651 -2.62 -2.8722 -0.961 3130473 CMLD2_000319 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A08 compound treatment -0.0421 -0.0417 -1.69 -0.0406 -0.0421 -1.69 -2.3912 -1.0 3010878 CMLD2_000320 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A09 compound treatment -0.0541 -0.0537 -2.18 -0.0306 -0.0321 -1.29 -2.4513 -0.9688 3130474 CMLD2_000321 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A10 compound treatment -0.0441 -0.0437 -1.77 -0.0335 -0.0351 -1.41 -2.2483 -0.9936 3010879 CMLD2_000322 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A11 compound treatment -0.0361 -0.0357 -1.45 -0.0285 -0.0301 -1.21 -1.8783 -0.996 3130475 CMLD2_000323 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A12 compound treatment -0.0361 -0.0357 -1.45 -0.0376 -0.0391 -1.57 -2.1339 -0.9992 3130476 CMLD2_000324 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C5CCCCC5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A13 mock treatment -0.0501 -0.0497 -2.01 -0.0456 -0.0471 -1.89 -2.7626 -0.9995 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A14 mock treatment -0.0591 -0.0587 -2.38 -0.0525 -0.0541 -2.17 -3.2195 -0.999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A15 compound treatment -0.0471 -0.0467 -1.89 -0.0495 -0.0511 -2.05 -2.7901 -0.9992 3010880 CMLD2_000325 O[C@@H](COCc1ccco1)CO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A16 compound treatment -0.0511 -0.0507 -2.06 -0.0445 -0.0461 -1.85 -2.7628 -0.9987 3130477 CMLD2_000326 CC(C)CO/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(Cc5cc6OCOc6cc5Cl)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A17 compound treatment -0.0681 -0.0677 -2.74 -0.0696 -0.0712 -2.86 -3.9617 -0.9998 3010881 CMLD2_000327 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(C5CCCCC5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A18 compound treatment -0.0511 -0.0507 -2.06 -0.0476 -0.0491 -1.97 -2.848 -0.9998 3130478 CMLD2_000328 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A19 compound treatment -0.0561 -0.0557 -2.26 -0.0466 -0.0481 -1.93 -2.963 -0.997 3130479 CMLD2_000329 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A20 compound treatment -0.0521 -0.0517 -2.1 -0.0536 -0.0551 -2.21 -3.0471 -0.9996 3010882 CMLD2_000330 C[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H](C)NC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A21 compound treatment -0.0551 -0.0547 -2.22 -0.0486 -0.0501 -2.01 -2.9911 -0.9988 3130480 CMLD2_000331 C[C@H]/1COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)C\C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A22 compound treatment -0.0531 -0.0527 -2.14 -0.0466 -0.0482 -1.93 -2.8784 -0.9988 3010883 CMLD2_000332 CO[C@H]1COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H](OCc3ccccc3)\C=C\[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A23 compound treatment -0.0441 -0.0437 -1.77 -0.0425 -0.0441 -1.77 -2.5039 -1.0 3130481 CMLD2_000333 CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 A24 compound treatment -0.0661 -0.0657 -2.66 -0.0616 -0.0631 -2.53 -3.6757 -0.9997 3130482 CMLD2_000334 C[C@@H]1/C=C/CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C/CC(=O)OC[C@H]3O[C@H]1C=C[C@@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B01 compound treatment -0.0081 -0.00771 -0.31 -0.0065 -0.0081 -0.33 -0.451 -0.9998 3010884 CMLD2_000335 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B02 compound treatment 0.0039 0.00429 0.17 -0.0025 -0.0041 -0.16 0.0067 0.028 3130483 CMLD2_000336 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5ccc(F)cc5F)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B03 compound treatment 0.0049 0.00529 0.21 0.0055 0.0039 0.16 0.2626 0.988 3130484 CMLD2_000337 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4ccc(F)cc4F)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B04 compound treatment 0.0149 0.0153 0.62 -0.0035 -0.0051 -0.2 0.2937 0.4498 3010885 CMLD2_000338 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B05 compound treatment 0.0209 0.0213 0.86 0.0154 0.0139 0.56 1.0039 0.9774 3130485 CMLD2_000339 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B06 compound treatment 0.0019 0.00232 0.09 0.0025 9.01E-4 0.04 0.0922 0.9136 3010886 CMLD2_000340 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B07 compound treatment -1.0E-4 2.93E-4 0.01 -0.0065 -0.0081 -0.33 -0.2216 -0.6808 3130486 CMLD2_000341 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B08 compound treatment 0.0169 0.0173 0.7 0.0124 0.0109 0.44 0.8049 0.9741 3130487 CMLD2_000342 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B09 compound treatment 0.0089 0.00929 0.38 0.0104 0.00888 0.36 0.5187 0.9996 3010887 CMLD2_000343 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B10 compound treatment 0.0159 0.0163 0.66 -0.0495 -0.051 -2.05 -0.9824 -0.4561 3130488 CMLD2_000344 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B11 compound treatment 0.0129 0.0133 0.54 0.0114 0.00985 0.4 0.6609 0.9884 3010888 CMLD2_000345 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)C(C)(C)C)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B12 compound treatment 0.0119 0.0123 0.5 0.0035 0.0019 0.08 0.4065 0.806 3130489 CMLD2_000346 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B13 mock treatment 0.0079 0.00829 0.34 0.0075 0.0059 0.24 0.4053 0.9853 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B14 mock treatment 0.0159 0.0163 0.66 0.0035 0.0019 0.08 0.522 0.7834 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B15 compound treatment 0.0049 0.00529 0.21 0.0015 -9.9E-5 0.0 0.149 0.6939 3130616 CMLD2_000347 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OCc6ccccc6)n3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B16 compound treatment 0.0079 0.00829 0.34 5.0E-4 -0.0011 -0.04 0.2066 0.6091 3010889 CMLD2_000348 CC(=CCC/C(=C/CO\N=C\1/[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(Cc5cc6OCOc6cc5Cl)c4=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B17 compound treatment 0.0079 0.00829 0.34 -0.0075 -0.0091 -0.37 -0.0207 -0.0416 3130617 CMLD2_000349 CCN1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B18 compound treatment 0.0099 0.0103 0.42 -5.0E-4 -0.0021 -0.08 0.2356 0.5531 3010924 CMLD2_000350 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B19 compound treatment 9.0E-4 0.00129 0.05 0.0025 9.01E-4 0.04 0.0627 0.9836 3130618 CMLD2_000351 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B20 compound treatment 0.0049 0.00529 0.21 0.0025 9.01E-4 0.04 0.1774 0.8148 3130619 CMLD2_000352 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B21 compound treatment 0.0169 0.0173 0.7 0.0115 0.0099 0.4 0.7771 0.9639 3010926 CMLD2_000353 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B22 compound treatment -0.0021 -0.00168 -0.07 -0.0046 -0.00612 -0.25 -0.2218 -0.8701 3130620 CMLD2_000354 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B23 compound treatment 0.0149 0.0153 0.62 -0.0026 -0.00417 -0.17 0.3202 0.4984 3130621 CMLD2_000355 C[C@@H]/1COC(=O)N[C@@H](C)C(=O)C\C=C\[C@H](C)[C@H](COC(=O)C\C=C1)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 B24 compound treatment 0.0159 0.0163 0.66 0.0074 0.00585 0.23 0.6334 0.9032 3010928 CMLD2_000356 C[C@@H]1NC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@H]3O[C@H](COC1=O)[C@@H](O)C=C3)[C@@H](O)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C01 compound treatment -0.0141 -0.0137 -0.56 -0.0156 -0.0171 -0.69 -0.88 -0.9944 3130622 CMLD2_000357 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccccc4)C3=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C02 compound treatment 9.0E-4 0.00129 0.05 -0.0085 -0.0101 -0.41 -0.2497 -0.6106 3130623 CMLD2_000358 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5ccc(F)cc5F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C03 compound treatment 0.0019 0.00229 0.09 -0.0105 -0.0121 -0.49 -0.2779 -0.5618 3010930 CMLD2_000359 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C04 compound treatment 0.0079 0.00832 0.34 -0.0065 -0.0081 -0.33 0.0087 0.0185 3130624 CMLD2_000360 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C05 compound treatment 0.0179 0.0183 0.74 -0.0065 -0.0081 -0.33 0.2954 0.3642 3010931 CMLD2_000361 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C06 compound treatment -0.0021 -0.00171 -0.07 -0.0065 -0.0081 -0.33 -0.279 -0.8389 3130625 CMLD2_000362 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C[C@@H]5CCCO5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C07 compound treatment -0.0091 -0.00871 -0.35 -5.0E-4 -0.0021 -0.08 -0.3093 -0.852 3130626 CMLD2_000363 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N([C@@H](C)c4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C08 compound treatment 0.0049 0.00532 0.22 0.0065 0.00488 0.2 0.2913 0.9988 3010932 CMLD2_000364 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N([C@@H](C)c4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C09 compound treatment 0.0019 0.00229 0.09 0.0025 9.01E-4 0.04 0.0913 0.9156 3130627 CMLD2_000365 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccc(OC)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C10 compound treatment 0.0039 0.00429 0.17 0.0115 0.00988 0.4 0.4037 0.9316 3010933 CMLD2_000366 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C11 mock treatment 0.0019 0.00229 0.09 0.0055 0.0039 0.16 0.1765 0.969 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C12 mock treatment 0.0099 0.0103 0.42 -5.0E-4 -0.0021 -0.08 0.2355 0.5531 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C13 compound treatment -0.0031 -0.00271 -0.11 0.0025 9.01E-4 0.04 -0.052 -0.4502 3130628 CMLD2_000367 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C14 compound treatment -0.0101 -0.00971 -0.39 -0.0035 -0.0051 -0.2 -0.4232 -0.9536 3010934 CMLD2_000368 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C15 mock treatment -0.0071 -0.00671 -0.27 -0.0025 -0.0041 -0.16 -0.3087 -0.9711 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C16 mock treatment 0.0059 0.00629 0.26 0.0075 0.0059 0.24 0.348 0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C17 compound treatment 0.0029 0.00329 0.13 0.0095 0.00788 0.32 0.3182 0.9264 3130629 CMLD2_000369 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C18 compound treatment 0.0079 0.00829 0.34 0.0095 0.0079 0.32 0.4622 0.9996 3130630 CMLD2_000370 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C19 compound treatment -0.0051 -0.00471 -0.19 0.0044 0.00283 0.11 -0.0546 -0.2456 3010935 CMLD2_000371 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C20 compound treatment -0.0021 -0.00171 -0.07 0.0025 9.01E-4 0.04 -0.0234 -0.2995 3130631 CMLD2_000372 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C21 compound treatment -0.0031 -0.00271 -0.11 0.0145 0.0129 0.52 0.2887 0.5452 3010936 CMLD2_000373 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C22 compound treatment -0.0021 -0.00171 -0.07 0.0015 -9.9E-5 0.0 -0.0517 -0.7465 3130632 CMLD2_000374 CO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C23 compound treatment -0.0041 -0.00371 -0.15 -0.0036 -0.00517 -0.21 -0.2531 -0.9874 3130633 CMLD2_000375 CO[C@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 C24 compound treatment 0.0019 0.00229 0.09 0.0015 -9.9E-5 0.0 0.063 0.6763 3010937 CMLD2_000376 C[C@H]1COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)[C@H](Cc3ccccc3)NC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D01 compound treatment -0.0161 -0.0157 -0.64 -0.0106 -0.0121 -0.49 -0.7937 -0.9913 3130634 CMLD2_000377 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D02 compound treatment -0.0191 -0.0187 -0.76 -0.0176 -0.0191 -0.77 -1.0785 -1.0 3010938 CMLD2_000378 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5ccc(F)cc5F)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D03 compound treatment -0.0071 -0.00668 -0.27 -0.0116 -0.0131 -0.53 -0.564 -0.9521 3130635 CMLD2_000379 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5ccc(F)cc5F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D04 compound treatment -0.0181 -0.0177 -0.72 0.0015 -9.9E-5 0.0 -0.5097 -0.711 3130759 CMLD2_000380 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D05 compound treatment -0.0051 -0.00468 -0.19 0.0025 9.01E-4 0.04 -0.1085 -0.5621 3010939 CMLD2_000381 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D06 compound treatment -0.0151 -0.0147 -0.6 -0.0135 -0.0151 -0.61 -0.8488 -1.0 3130760 CMLD2_000382 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D07 compound treatment -0.0011 -7.07E-4 -0.03 -0.0086 -0.0101 -0.41 -0.3076 -0.7551 3130761 CMLD2_000383 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N([C@@H](C)c5ccccc5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D08 compound treatment -0.0011 -7.07E-4 -0.03 5.0E-4 -0.0011 -0.04 -0.0515 -0.9781 3130762 CMLD2_000384 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D09 compound treatment 9.0E-4 0.00129 0.05 -0.0065 -0.00807 -0.32 -0.192 -0.585 3010981 CMLD2_000385 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D10 compound treatment -0.0081 -0.00768 -0.31 -0.0065 -0.00807 -0.32 -0.4493 -0.9998 3130763 CMLD2_000386 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D11 mock treatment 0.0059 0.00629 0.26 0.0075 0.0059 0.24 0.348 0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D12 mock treatment -0.0081 -0.00768 -0.31 0.0025 9.01E-4 0.04 -0.1945 -0.6207 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D13 compound treatment -0.0111 -0.0107 -0.43 -0.0126 -0.0141 -0.57 -0.7071 -0.9911 3130764 CMLD2_000387 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D14 compound treatment -0.0151 -0.0147 -0.6 -0.0246 -0.0261 -1.05 -1.1635 -0.9639 3010983 CMLD2_000388 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D15 mock treatment -0.0121 -0.0117 -0.47 -0.0185 -0.0201 -0.81 -0.9047 -0.9679 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D16 mock treatment -0.0011 -7.07E-4 -0.03 0.0065 0.0049 0.2 0.1189 0.5979 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D17 compound treatment -0.0091 -0.00868 -0.35 0.0085 0.0069 0.28 -0.0528 -0.118 3130765 CMLD2_000389 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D18 compound treatment -0.0061 -0.00568 -0.23 -0.0015 -0.0031 -0.12 -0.2508 -0.9583 3010984 CMLD2_000390 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D19 compound treatment -0.0121 -0.0117 -0.47 5.0E-4 -0.0011 -0.04 -0.366 -0.7697 3130766 CMLD2_000391 C[C@H](N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D20 compound treatment 9.0E-4 0.00129 0.05 -0.0056 -0.00712 -0.29 -0.1651 -0.5679 3010985 CMLD2_000392 CO[C@@H]1/C=C/CC(=O)N[C@@H](C)C(=O)OC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C/CC(=O)OC[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D21 compound treatment -0.0071 -0.00668 -0.27 0.0094 0.00785 0.32 0.0315 0.0758 3130767 CMLD2_000393 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D22 compound treatment 0.0089 0.00929 0.38 -0.0025 -0.00407 -0.16 0.1509 0.3674 3130768 CMLD2_000394 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D23 compound treatment -0.0021 -0.00168 -0.07 0.0055 0.00393 0.16 0.0636 0.3697 3130619 CMLD2_000395 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 D24 compound treatment 0.0069 0.00729 0.3 0.0145 0.0129 0.52 0.5755 0.9647 3010986 CMLD2_000396 CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E01 mock treatment 0.0029 0.00329 0.13 0.0095 0.0079 0.32 0.3188 0.926 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E02 mock treatment 0.0109 0.0113 0.46 0.0065 0.00488 0.2 0.4632 0.928 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E03 compound treatment 9.0E-4 0.00129 0.05 -5.0E-4 -0.0021 -0.08 -0.0225 -0.2268 3130769 CMLD2_000397 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E04 compound treatment 0.0179 0.0183 0.74 0.0125 0.0109 0.44 0.8341 0.9683 3130770 CMLD2_000398 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E05 compound treatment 0.0129 0.0133 0.54 0.0185 0.0169 0.68 0.8613 0.9937 3010987 CMLD2_000399 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E06 compound treatment 0.0029 0.00329 0.13 0.0014 -1.19E-4 0.0 0.0911 0.6814 3130771 CMLD2_000400 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E07 compound treatment 0.0159 0.0163 0.66 0.0115 0.00988 0.4 0.7487 0.97 3130772 CMLD2_000401 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E08 compound treatment 0.0179 0.0183 0.74 0.0035 0.0019 0.08 0.5794 0.7757 3010988 CMLD2_000402 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E09 mock treatment 0.0199 0.0203 0.82 0.0095 0.0079 0.32 0.8071 0.9139 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E10 mock treatment 0.0279 0.0283 1.15 0.0265 0.0249 1.0 1.5187 0.9976 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E11 compound treatment -0.0011 -7.07E-4 -0.03 0.0124 0.0109 0.44 0.2887 0.6593 3130773 CMLD2_000403 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E12 compound treatment 0.0189 0.0193 0.78 0.0035 0.0019 0.08 0.6081 0.7723 3010989 CMLD2_000404 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C5CCCCC5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E13 compound treatment 0.0109 0.0113 0.46 0.0025 9.01E-4 0.04 0.3503 0.7605 3130774 CMLD2_000405 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C5CCCCC5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E14 compound treatment -0.0111 -0.0107 -0.43 -5.0E-4 -0.0021 -0.08 -0.3666 -0.8289 3130775 CMLD2_000406 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E15 compound treatment 0.0169 0.0173 0.7 0.0115 0.00988 0.4 0.7773 0.9634 3010990 CMLD2_000407 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OCC(C)C)n3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E16 compound treatment 0.0089 0.00932 0.38 0.0135 0.0119 0.48 0.6047 0.9934 3130776 CMLD2_000408 O[C@@H]1[C@@H]2O[C@@H]2/C(=N\OCCCC#C)/[C@H]3CCn4n([C@@H]13)c(=O)n(Cc5cc6OCOc6cc5Cl)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E17 mock treatment 0.0069 0.00732 0.3 0.0225 0.0209 0.84 0.803 0.9026 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E18 mock treatment 0.0149 0.0153 0.62 0.0155 0.0139 0.56 0.8336 0.9985 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E19 compound treatment -0.0031 -0.00271 -0.11 0.0124 0.0109 0.44 0.2314 0.5135 3010991 CMLD2_000409 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E20 compound treatment 0.0079 0.00832 0.34 0.0135 0.0119 0.48 0.5761 0.9856 3130777 CMLD2_000410 C[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E21 compound treatment 0.0149 0.0153 0.62 0.0245 0.0229 0.92 1.0883 0.9817 3130778 CMLD2_000411 CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E22 compound treatment 0.0179 0.0183 0.74 0.0175 0.0159 0.64 0.9764 0.9971 3010992 CMLD2_000412 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E23 compound treatment 0.0069 0.00729 0.3 0.0155 0.0139 0.56 0.6039 0.9559 3130904 CMLD2_000413 CO[C@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C)NS(=O)(=O)c3ccc(C)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 E24 compound treatment 0.0109 0.0113 0.46 0.0234 0.0219 0.88 0.9461 0.9542 3130905 CMLD2_000414 CO[C@@H]1COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](COCc3ccccc3)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F01 mock treatment -0.0141 -0.0137 -0.55 -0.0066 -0.00812 -0.33 -0.6228 -0.9679 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F02 mock treatment -0.0011 -6.77E-4 -0.03 -0.0075 -0.00907 -0.36 -0.2769 -0.7582 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F03 compound treatment 0.0049 0.00529 0.21 -5.0E-4 -0.0021 -0.08 0.0922 0.3997 3010993 CMLD2_000415 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5ccc(F)cc5F)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F04 compound treatment -0.0051 -0.00468 -0.19 0.0025 9.01E-4 0.04 -0.1085 -0.5621 3130906 CMLD2_000416 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F05 compound treatment 0.0149 0.0153 0.62 -0.0015 -0.0031 -0.12 0.3514 0.5545 3130907 CMLD2_000417 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F06 compound treatment 9.0E-4 0.00129 0.05 0.0125 0.0109 0.44 0.3466 0.7862 3011036 CMLD2_000418 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F07 compound treatment -0.0081 -0.00768 -0.31 -5.0E-4 -0.0021 -0.08 -0.2797 -0.8673 3130908 CMLD2_000419 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F08 compound treatment 0.0149 0.0153 0.62 5.0E-4 -0.0011 -0.04 0.4073 0.6551 3130909 CMLD2_000420 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F09 mock treatment -0.0111 -0.0107 -0.43 0.0115 0.0099 0.4 -0.025 -0.0425 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F10 mock treatment 0.0209 0.0213 0.86 0.0035 0.0019 0.08 0.6654 0.7665 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F11 compound treatment -0.0031 -0.00268 -0.11 0.0015 -9.9E-5 0.0 -0.0796 -0.7325 3011038 CMLD2_000421 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F12 compound treatment 0.0069 0.00729 0.3 -0.0106 -0.0121 -0.49 -0.135 -0.2371 3130910 CMLD2_000422 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C5CCCCC5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F13 compound treatment -0.0131 -0.0127 -0.51 -0.0035 -0.0051 -0.2 -0.5083 -0.9186 3011039 CMLD2_000423 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F14 compound treatment 0.0039 0.00429 0.17 0.0144 0.0129 0.52 0.4888 0.8957 3130911 CMLD2_000424 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F15 compound treatment -0.0071 -0.00671 -0.27 0.0084 0.00688 0.28 0.0031 0.008 3130912 CMLD2_000425 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OC\C=C(/C)\CCC=C(C)C)n3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F16 compound treatment 0.0119 0.0123 0.5 0.0115 0.0099 0.4 0.6337 0.9937 3011040 CMLD2_000426 O[C@@H](COCc1ccco1)CO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(Cc6cc7OCOc7cc6Cl)c5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F17 mock treatment 0.0049 0.00529 0.21 0.0115 0.00988 0.4 0.4324 0.9584 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F18 mock treatment 0.0119 0.0123 0.5 0.0115 0.0099 0.4 0.6337 0.9937 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F19 compound treatment 0.0139 0.0143 0.58 -0.0046 -0.00612 -0.25 0.237 0.3757 3011041 CMLD2_000427 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F20 compound treatment 0.0129 0.0133 0.54 -0.0026 -0.00415 -0.17 0.2642 0.4673 3130913 CMLD2_000428 C[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F21 compound treatment 0.0109 0.0113 0.46 0.0185 0.0169 0.68 0.8038 0.9817 3130914 CMLD2_000429 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F22 compound treatment 0.0089 0.00929 0.38 0.0134 0.0119 0.48 0.603 0.9933 3011043 CMLD2_000430 C[C@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC1=O)[C@H](O)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F23 compound treatment 0.0149 0.0153 0.62 -0.0036 -0.00517 -0.21 0.2918 0.4461 3130915 CMLD2_000431 CO[C@H]1COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 F24 compound treatment 0.0099 0.0103 0.42 0.0295 0.0279 1.12 1.0869 0.9096 3011044 CMLD2_000432 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G01 compound treatment -0.0021 -0.00171 -0.07 -0.0086 -0.0101 -0.41 -0.3363 -0.8159 3130916 CMLD2_000433 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G02 compound treatment -0.0041 -0.00371 -0.15 0.0025 9.01E-4 0.04 -0.0807 -0.522 3130917 CMLD2_000434 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G03 mock treatment -0.0241 -0.0237 -0.96 -0.0085 -0.0101 -0.41 -0.9658 -0.9265 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G04 mock treatment 0.0039 0.00429 0.17 -0.0046 -0.00615 -0.25 -0.0515 -0.1704 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G05 compound treatment -0.0031 -0.00271 -0.11 4.0E-4 -0.00117 -0.05 -0.1108 -0.9282 3011046 CMLD2_000435 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G06 compound treatment -0.0121 -0.0117 -0.47 0.0064 0.00483 0.19 -0.1985 -0.3871 3130918 CMLD2_000436 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G07 compound treatment -0.0031 -0.00271 -0.11 0.0034 0.00183 0.07 -0.0256 -0.1939 3130919 CMLD2_000437 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C[C@@H]5CCCO5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G08 compound treatment 0.0039 0.00432 0.18 -0.0055 -0.0071 -0.29 -0.0776 -0.2319 3011047 CMLD2_000438 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N([C@@H](C)c4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G09 compound treatment 0.0029 0.00329 0.13 0.0084 0.00688 0.28 0.2898 0.9443 3130920 CMLD2_000439 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G10 compound treatment 0.0119 0.0123 0.5 0.0135 0.0119 0.48 0.6899 0.9998 3011048 CMLD2_000440 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G11 compound treatment 0.0019 0.00229 0.09 -5.0E-4 -0.0021 -0.08 0.0062 0.0491 3130921 CMLD2_000441 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G12 compound treatment -0.0041 -0.00371 -0.15 0.0144 0.0129 0.52 0.2595 0.4817 3131048 CMLD2_000442 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C5CCCCC5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G13 compound treatment -0.0061 -0.00568 -0.23 -0.0075 -0.00907 -0.36 -0.4203 -0.9755 3011049 CMLD2_000443 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C4CCCCC4)C3=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G14 compound treatment -0.0181 -0.0177 -0.72 5.0E-4 -0.0011 -0.04 -0.5381 -0.7492 3131049 CMLD2_000444 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(CC)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G15 compound treatment -1.0E-4 2.93E-4 0.01 0.0065 0.00488 0.2 0.147 0.7486 3011050 CMLD2_000445 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OCCCC#C)n3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G16 compound treatment -0.0261 -0.0257 -1.04 -0.0286 -0.0302 -1.21 -1.5934 -0.9972 3131050 CMLD2_000446 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G17 compound treatment 0.0069 0.00732 0.3 0.0075 0.0059 0.24 0.3776 0.9937 3131051 CMLD2_000447 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G18 compound treatment 0.0069 0.00732 0.3 0.0065 0.0049 0.2 0.3492 0.98 3011052 CMLD2_000448 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G19 mock treatment -0.0031 -0.00271 -0.11 -0.0116 -0.0131 -0.53 -0.4502 -0.8365 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G20 mock treatment -0.0181 -0.0177 -0.72 0.0045 0.0029 0.12 -0.4245 -0.5845 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G21 compound treatment 0.0049 0.00529 0.21 0.0045 0.0029 0.12 0.2342 0.9588 3131052 CMLD2_000449 CO[C@@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@H](C)[C@H](COC(=O)[C@H](C)NC(=O)C\C=C\[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G22 compound treatment 0.0019 0.00229 0.09 -0.0035 -0.0051 -0.2 -0.0791 -0.3517 3011053 CMLD2_000450 C[C@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G23 compound treatment 0.0019 0.00229 0.09 -0.0015 -0.0031 -0.12 -0.0223 -0.1438 3131053 CMLD2_000451 C[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@@H]3CCCN3C1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 G24 compound treatment -0.0171 -0.0167 -0.68 -0.0025 -0.0041 -0.16 -0.5947 -0.8543 3131054 CMLD2_000452 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H01 compound treatment -0.0061 -0.00571 -0.23 -0.0086 -0.0101 -0.41 -0.451 -0.9644 3011098 CMLD2_000453 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H02 compound treatment -0.0181 -0.0177 -0.72 0.0095 0.0079 0.32 -0.2825 -0.3604 3131055 CMLD2_000454 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H03 mock treatment -0.0071 -0.00668 -0.27 -0.0095 -0.0111 -0.45 -0.5072 -0.9713 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H04 mock treatment -0.0041 -0.00368 -0.15 -0.0036 -0.00512 -0.21 -0.2508 -0.9876 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H05 compound treatment -0.0011 -7.07E-4 -0.03 -5.0E-4 -0.0021 -0.08 -0.0799 -0.8971 3131056 CMLD2_000455 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H06 compound treatment -0.0171 -0.0167 -0.68 -0.0295 -0.0311 -1.25 -1.3605 -0.9586 3011099 CMLD2_000456 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H07 compound treatment -0.0041 -0.00371 -0.15 -0.0025 -0.0041 -0.16 -0.2228 -0.999 3131057 CMLD2_000457 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H08 compound treatment -0.0051 -0.00468 -0.19 -5.0E-4 -0.0021 -0.08 -0.1937 -0.9334 3011100 CMLD2_000458 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N([C@@H](C)c5ccccc5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H09 compound treatment 0.0059 0.00629 0.26 -0.0116 -0.0131 -0.53 -0.1921 -0.3282 3131058 CMLD2_000459 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H10 compound treatment -0.0081 -0.00768 -0.31 0.0155 0.0139 0.56 0.1746 0.2732 3131059 CMLD2_000460 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H11 compound treatment -0.0051 -0.00468 -0.19 -0.0205 -0.0221 -0.89 -0.7608 -0.8394 3011101 CMLD2_000461 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)C(C)(C)C)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H12 compound treatment -0.0091 -0.00868 -0.35 -0.0045 -0.0061 -0.24 -0.422 -0.9843 3131060 CMLD2_000462 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H13 compound treatment -0.0161 -0.0157 -0.64 -0.0406 -0.0421 -1.69 -1.6465 -0.9109 3131061 CMLD2_000463 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H14 compound treatment -0.0141 -0.0137 -0.55 0.0025 9.01E-4 0.04 -0.3666 -0.6596 3011102 CMLD2_000464 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccc(OC)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H15 compound treatment -0.0091 -0.00868 -0.35 -0.0015 -0.0031 -0.12 -0.3368 -0.9024 3131062 CMLD2_000465 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]/4[C@H]([C@H](O)[C@@H]5O[C@@H]5\C4=N/OC[C@@H](O)COCc6ccco6)n3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H16 compound treatment -0.0041 -0.00371 -0.15 -5.0E-4 -0.0021 -0.08 -0.1659 -0.9626 3011103 CMLD2_000466 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(C4=O)c5ccc(F)cc5F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H17 compound treatment 0.0039 0.00429 0.17 0.0104 0.00885 0.36 0.3745 0.9461 3131063 CMLD2_000467 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H18 compound treatment -0.0191 -0.0187 -0.76 -0.0076 -0.00912 -0.37 -0.7945 -0.9444 3011104 CMLD2_000468 CCN1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H19 mock treatment -0.0211 -0.0207 -0.84 -0.0126 -0.0141 -0.57 -0.9939 -0.9819 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H20 mock treatment -0.0041 -0.00371 -0.15 5.0E-4 -0.0011 -0.04 -0.1375 -0.8777 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H21 compound treatment 9.0E-4 0.00129 0.05 5.0E-4 -0.0011 -0.04 0.0059 0.0858 3131064 CMLD2_000469 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H22 compound treatment 0.0019 0.00229 0.09 0.0054 0.00385 0.15 0.1751 0.9704 3011105 CMLD2_000470 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H23 compound treatment -0.0111 -0.0107 -0.43 0.0145 0.0129 0.52 0.0602 0.0892 3131065 CMLD2_000471 CO[C@H]1COC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 H24 compound treatment 0.0059 0.00629 0.26 0.0035 0.0019 0.08 0.2344 0.8802 3131066 CMLD2_000472 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I01 compound treatment -0.0021 -0.00171 -0.07 -0.0075 -0.0091 -0.37 -0.3074 -0.8265 3011106 CMLD2_000473 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccccc5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I02 compound treatment -0.0041 -0.00371 -0.15 0.0165 0.0149 0.6 0.3168 0.5134 3131067 CMLD2_000474 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccccc4)C3=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I03 compound treatment 0.0039 0.00429 0.17 -0.0095 -0.0111 -0.45 -0.1921 -0.4014 3131183 CMLD2_000475 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5ccc(F)cc5F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I04 compound treatment -0.0081 -0.00771 -0.31 -0.0025 -0.0041 -0.16 -0.3375 -0.9551 3011108 CMLD2_000476 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I05 mock treatment -0.0021 -0.00171 -0.07 0.0054 0.00383 0.15 0.0599 0.3548 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I06 mock treatment -0.0031 -0.00271 -0.11 -0.0116 -0.0132 -0.53 -0.451 -0.8362 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I07 compound treatment -0.0041 -0.00371 -0.15 0.0014 -1.69E-4 -0.01 -0.1111 -0.7383 3131184 CMLD2_000477 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I08 compound treatment -0.0121 -0.0117 -0.47 -0.0075 -0.0091 -0.37 -0.5941 -0.9916 3011109 CMLD2_000478 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I09 compound treatment 0.0059 0.00632 0.26 5.0E-4 -0.0011 -0.04 0.1501 0.5769 3131185 CMLD2_000479 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I10 compound treatment 0.0039 0.00429 0.17 0.0084 0.00688 0.28 0.3184 0.9751 3131186 CMLD2_000480 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I11 compound treatment -0.0101 -0.00971 -0.39 0.0075 0.00588 0.24 -0.1114 -0.2426 3011110 CMLD2_000481 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I12 compound treatment -0.0011 -7.07E-4 -0.03 -0.0206 -0.0221 -0.89 -0.6492 -0.7295 3131187 CMLD2_000482 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I13 compound treatment -0.0091 -0.00868 -0.35 -5.0E-4 -0.00207 -0.08 -0.3076 -0.8507 3131188 CMLD2_000483 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C5CCCCC5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I14 compound treatment -0.0081 -0.00771 -0.31 -6.0E-4 -0.00217 -0.09 -0.2826 -0.871 3011112 CMLD2_000484 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I15 compound treatment -0.0221 -0.0217 -0.88 -0.0146 -0.0161 -0.65 -1.0802 -0.9888 3131189 CMLD2_000485 Cn1c(=O)n2CC[C@H]/3[C@H]([C@H](O)[C@@H]4O[C@@H]4\C3=N/OCc5ccccc5)n2c1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I16 compound treatment -0.0281 -0.0277 -1.12 -0.0126 -0.0141 -0.57 -1.1954 -0.9503 3011154 CMLD2_000486 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I17 compound treatment 0.0079 0.00832 0.34 -0.0055 -0.0071 -0.29 0.0371 0.0839 3131190 CMLD2_000487 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I18 compound treatment 9.0E-4 0.00132 0.05 -0.0176 -0.0191 -0.77 -0.5058 -0.6562 3010995 CMLD2_000488 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I19 compound treatment -0.0101 -0.00971 -0.39 0.0055 0.00388 0.16 -0.1681 -0.3971 3131191 CMLD2_000489 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I20 compound treatment -0.0171 -0.0167 -0.68 -0.0085 -0.0101 -0.41 -0.765 -0.9701 3131192 CMLD2_000490 C[C@H]/1COC(=O)C\C=C\[C@H](C)[C@H](COC(=O)C\C=C1)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I21 mock treatment 0.0169 0.0173 0.7 -0.0015 -0.0031 -0.12 0.4086 0.5728 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I22 mock treatment 0.0049 0.00529 0.21 0.0085 0.0069 0.28 0.3478 0.992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I23 compound treatment 0.0119 0.0123 0.5 0.0105 0.0089 0.36 0.6053 0.9867 3131193 CMLD2_000491 CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 I24 compound treatment -1.0E-4 2.93E-4 0.01 -0.0126 -0.0141 -0.57 -0.3925 -0.6921 3011157 CMLD2_000492 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J01 compound treatment -0.0191 -0.0187 -0.76 -0.0146 -0.0161 -0.65 -0.9934 -0.9969 3131194 CMLD2_000493 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J02 compound treatment -0.0361 -0.0357 -1.45 -0.0056 -0.00717 -0.29 -1.2266 -0.8315 3011158 CMLD2_000494 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J03 compound treatment -0.0201 -0.0197 -0.8 -0.0276 -0.0291 -1.17 -1.3911 -0.9826 3131195 CMLD2_000495 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C4=O)c5ccc(F)cc5F)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J04 compound treatment -0.0151 -0.0147 -0.6 -0.0035 -0.0051 -0.2 -0.5657 -0.8987 3011159 CMLD2_000496 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J05 mock treatment -0.0071 -0.00671 -0.27 -0.0025 -0.0041 -0.16 -0.3087 -0.9711 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J06 mock treatment -0.0061 -0.00568 -0.23 5.0E-4 -0.0011 -0.04 -0.194 -0.8276 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J07 compound treatment -0.0101 -0.00971 -0.39 -0.0186 -0.0201 -0.81 -0.8497 -0.9454 3131196 CMLD2_000497 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J08 compound treatment -0.0061 -0.00568 -0.23 -0.0046 -0.00612 -0.25 -0.3365 -0.9995 3131197 CMLD2_000498 C[C@H](N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J09 compound treatment -0.0021 -0.00171 -0.07 -5.0E-4 -0.0021 -0.08 -0.1085 -0.9952 3011160 CMLD2_000499 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)C(C)(C)C)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J10 compound treatment -0.0071 -0.00668 -0.27 -0.0026 -0.00417 -0.17 -0.3098 -0.9733 3131198 CMLD2_000500 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J11 compound treatment -0.0021 -0.00171 -0.07 0.0065 0.0049 0.2 0.0902 0.4325 3011161 CMLD2_000501 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J12 compound treatment -0.0081 -0.00768 -0.31 -0.0245 -0.0261 -1.05 -0.9618 -0.8791 3131199 CMLD2_000502 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J13 compound treatment -0.0321 -0.0317 -1.28 -0.0266 -0.0281 -1.13 -1.7069 -0.9979 3131200 CMLD2_000503 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J14 compound treatment -0.0191 -0.0187 -0.76 -0.0075 -0.0091 -0.37 -0.7939 -0.9441 3011162 CMLD2_000504 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J15 compound treatment -0.0101 -0.00971 -0.39 -0.0156 -0.0171 -0.69 -0.7645 -0.965 3131201 CMLD2_000505 CC(C)CO/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(C)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J16 compound treatment -0.0151 -0.0147 -0.6 -0.0156 -0.0171 -0.69 -0.907 -0.9974 3011163 CMLD2_000506 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J17 compound treatment -0.0041 -0.00371 -0.15 -0.0146 -0.0161 -0.65 -0.564 -0.8487 3131202 CMLD2_000507 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J18 compound treatment -0.0041 -0.00371 -0.15 -0.0056 -0.00712 -0.29 -0.3084 -0.9549 3011164 CMLD2_000508 CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J19 compound treatment -0.0061 -0.00571 -0.23 -0.0025 -0.0041 -0.16 -0.28 -0.9861 3131320 CMLD2_000509 CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)C=CC3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J20 compound treatment 0.0079 0.00829 0.34 -5.0E-4 -0.0021 -0.08 0.1782 0.514 3131321 CMLD2_000510 C[C@@H]1/C=C/CC(=O)OC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C/CC(=O)OC[C@H]3O[C@H]1C=C[C@@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J21 mock treatment 0.0079 0.00829 0.34 0.0065 0.0049 0.2 0.3769 0.9674 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J22 mock treatment 0.0049 0.00529 0.21 -0.0186 -0.0202 -0.81 -0.421 -0.5024 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J23 compound treatment 0.0019 0.00232 0.09 -0.0056 -0.00712 -0.29 -0.1355 -0.4503 1952481 CMLD2_000511 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 J24 compound treatment 0.0099 0.0103 0.42 0.0095 0.0079 0.32 0.5195 0.9908 3131322 CMLD2_000512 CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K01 compound treatment -0.0021 -0.00171 -0.07 -0.0176 -0.0191 -0.77 -0.5919 -0.7677 3131323 CMLD2_000513 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccccc5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K02 compound treatment -0.0021 -0.00171 -0.07 -0.0015 -0.0031 -0.12 -0.137 -0.9616 3011055 CMLD2_000514 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K03 compound treatment 9.0E-4 0.00129 0.05 -0.0095 -0.0111 -0.45 -0.2781 -0.6196 3131324 CMLD2_000515 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K04 compound treatment -0.0021 -0.00171 -0.07 0.0035 0.0019 0.08 0.005 0.049 3011057 CMLD2_000516 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K05 compound treatment -0.0031 -0.00271 -0.11 0.0054 0.00383 0.15 0.0312 0.165 3131325 CMLD2_000517 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K06 compound treatment -0.0071 -0.00671 -0.27 -0.0056 -0.00715 -0.29 -0.3953 -0.9996 3131326 CMLD2_000518 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K07 mock treatment -0.0201 -0.0197 -0.8 -0.0125 -0.0141 -0.57 -0.9655 -0.9858 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K08 mock treatment -0.0041 -0.00371 -0.15 0.0144 0.0129 0.52 0.2595 0.4817 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K09 compound treatment -0.0141 -0.0137 -0.56 0.0015 -9.9E-5 0.0 -0.3959 -0.7121 3011058 CMLD2_000519 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K10 compound treatment 0.0049 0.00529 0.21 0.0135 0.0119 0.48 0.4892 0.935 3131327 CMLD2_000520 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccc(OC)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K11 compound treatment -0.0011 -6.77E-4 -0.03 0.0054 0.00383 0.15 0.0894 0.572 3011059 CMLD2_000521 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C5CCCCC5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K12 compound treatment -0.0011 -6.77E-4 -0.03 4.0E-4 -0.00117 -0.05 -0.0526 -0.9673 3131328 CMLD2_000522 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K13 compound treatment -0.0291 -0.0287 -1.16 -0.0186 -0.0201 -0.81 -1.3945 -0.9843 3131329 CMLD2_000523 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C5CCCCC5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K14 compound treatment -0.0491 -0.0487 -1.97 -0.0556 -0.0571 -2.3 -3.0187 -0.9972 3011060 CMLD2_000524 O[C@@H]1[C@@H]2O[C@@H]2/C(=N\OCc3ccccc3)/[C@H]4CCn5n([C@@H]14)c(=O)n(c6ccccc6)c5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K15 mock treatment -0.0031 -0.00268 -0.11 0.0044 0.00283 0.11 0.0036 0.0231 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K16 mock treatment -1.0E-4 2.93E-4 0.01 0.0124 0.0109 0.44 0.3174 0.7261 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K17 compound treatment -0.0151 -0.0147 -0.6 5.0E-4 -0.0011 -0.04 -0.4529 -0.7574 3131330 CMLD2_000525 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K18 compound treatment 0.0029 0.00332 0.13 -0.0055 -0.0071 -0.29 -0.1063 -0.3371 3011061 CMLD2_000526 O[C@@H]1[C@@H]2O[C@@H]2C(=O)[C@H]3CCn4n([C@@H]13)c(=O)n(c5ccccc5)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K19 compound treatment -0.0131 -0.0127 -0.52 -0.0125 -0.0141 -0.57 -0.7647 -0.9989 3131331 CMLD2_000527 CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](OC)[C@H](C)COC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K20 compound treatment -0.0101 -0.00971 -0.39 -0.0025 -0.0041 -0.16 -0.3947 -0.9252 3011062 CMLD2_000528 C[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](Cc2ccccc2)NC1=O)NS(=O)(=O)c3ccc(C)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K21 compound treatment 9.0E-4 0.00129 0.05 -0.0055 -0.0071 -0.29 -0.1645 -0.5675 3011070 CMLD2_000529 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K22 compound treatment -0.0071 -0.00671 -0.27 0.0085 0.0069 0.28 0.0037 0.0094 3011072 CMLD2_000530 CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](C)COC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K23 mock treatment 0.0089 0.00929 0.38 0.0055 0.0039 0.16 0.3773 0.9244 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 K24 mock treatment 9.0E-4 0.00129 0.05 0.0104 0.00888 0.36 0.2893 0.8025 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L01 compound treatment -0.0221 -0.0217 -0.88 -0.0025 -0.0041 -0.16 -0.738 -0.8252 3131332 CMLD2_000531 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5ccc(F)cc5F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L02 compound treatment 9.0E-4 0.00129 0.05 0.0034 0.00185 0.07 0.0897 0.9854 3131333 CMLD2_000532 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L03 compound treatment -0.0071 -0.00668 -0.27 -0.0116 -0.0131 -0.53 -0.564 -0.9521 3011074 CMLD2_000533 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L04 compound treatment -0.0111 -0.0107 -0.43 -0.0015 -0.0031 -0.12 -0.3942 -0.8749 3131334 CMLD2_000534 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L05 compound treatment -0.0171 -0.0167 -0.68 0.0045 0.0029 0.12 -0.3958 -0.5768 3131335 CMLD2_000535 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L06 compound treatment 0.0089 0.00932 0.38 -0.0086 -0.0101 -0.41 -0.02 -0.036 3011078 CMLD2_000536 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C[C@@H]5CCCO5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L07 mock treatment -0.0041 -0.00371 -0.15 -0.0045 -0.0061 -0.24 -0.2796 -0.9726 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L08 mock treatment 0.0019 0.00229 0.09 -0.0045 -0.0061 -0.24 -0.1075 -0.4104 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L09 compound treatment 0.0149 0.0153 0.62 0.0124 0.0109 0.44 0.7483 0.9852 3011128 CMLD2_000537 CC(C)(C)N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L10 compound treatment -0.0031 -0.00268 -0.11 0.0114 0.00985 0.4 0.203 0.4948 3131336 CMLD2_000538 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L11 compound treatment 0.0049 0.00529 0.21 0.0175 0.0159 0.64 0.6027 0.8957 3011131 CMLD2_000539 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L12 compound treatment 0.0059 0.00629 0.26 -0.0106 -0.0121 -0.49 -0.1637 -0.2978 3131337 CMLD2_000540 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L13 compound treatment -0.0061 -0.00571 -0.23 -5.0E-4 -0.0021 -0.08 -0.2233 -0.9064 3131338 CMLD2_000541 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C5CCCCC5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L14 compound treatment -0.0061 -0.00571 -0.23 -0.0075 -0.0091 -0.37 -0.422 -0.9757 3011134 CMLD2_000542 CC(C)CO/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L15 mock treatment -0.0021 -0.00171 -0.07 -0.0145 -0.0161 -0.65 -0.5061 -0.7784 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L16 mock treatment -0.0011 -7.07E-4 -0.03 0.0145 0.0129 0.52 0.3461 0.667 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L17 compound treatment 0.0049 0.00529 0.21 0.0225 0.0209 0.84 0.7448 0.8604 3131454 CMLD2_000543 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L18 compound treatment 0.0209 0.0213 0.86 0.0085 0.0069 0.28 0.8073 0.8892 3011136 CMLD2_000544 CC[C@@H](c1ccccc1)n2c(=O)n3CC[C@H]4[C@H]([C@H](O)[C@@H]5O[C@@H]5C4=O)n3c2=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L19 compound treatment 0.0089 0.00932 0.38 0.0105 0.0089 0.36 0.5201 0.9996 3131455 CMLD2_000545 CO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L20 compound treatment 0.0109 0.0113 0.46 0.0104 0.00888 0.36 0.576 0.9924 3131456 CMLD2_000546 C[C@@H]1NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)C/C=C/[C@@H](C)[C@@H](COC1=O)NS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c3ccc(C)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L21 compound treatment 0.0019 0.00229 0.09 0.0085 0.0069 0.28 0.2617 0.8953 3011138 CMLD2_000547 CO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L22 compound treatment 0.0089 0.00929 0.38 0.0135 0.0119 0.48 0.6044 0.9931 3131457 CMLD2_000548 CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L23 mock treatment 0.0199 0.0203 0.82 0.0105 0.0089 0.36 0.8355 0.9301 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 L24 mock treatment 0.0269 0.0273 1.11 0.0274 0.0259 1.04 1.5184 0.9995 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M01 compound treatment -0.0011 -6.77E-4 -0.03 -0.0056 -0.00717 -0.29 -0.223 -0.771 3011140 CMLD2_000549 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M02 compound treatment 0.0129 0.0133 0.54 -0.0046 -0.00615 -0.25 0.2074 0.3492 3131458 CMLD2_000550 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccccc5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M03 compound treatment -0.0101 -0.00971 -0.39 0.0064 0.00483 0.19 -0.1412 -0.3216 3131459 CMLD2_000551 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M04 compound treatment 0.0089 0.00932 0.38 0.0084 0.00683 0.27 0.4613 0.9876 3011143 CMLD2_000552 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M05 compound treatment 9.0E-4 0.00132 0.05 0.0064 0.00483 0.19 0.1751 0.87 3011168 CMLD2_000553 O[C@@H]1C/C(=N\OCCCC#C)/[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M06 compound treatment -0.0191 -0.0187 -0.76 -5.0E-4 -0.00207 -0.08 -0.5952 -0.7799 3131460 CMLD2_000554 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M07 compound treatment -0.0011 -6.77E-4 -0.03 0.0065 0.00493 0.2 0.1206 0.6034 3011171 CMLD2_000555 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M08 compound treatment 0.0089 0.00932 0.38 0.0084 0.00683 0.27 0.4613 0.9876 3131461 CMLD2_000556 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M09 mock treatment 0.0089 0.00932 0.38 0.0164 0.0149 0.6 0.6899 0.9756 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M10 mock treatment 0.0019 0.00229 0.09 0.0025 9.01E-4 0.04 0.0913 0.9154 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M11 compound treatment 0.0099 0.0103 0.42 -6.0E-4 -0.00215 -0.09 0.235 0.5498 3011173 CMLD2_000557 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C4CCCCC4)C3=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M12 compound treatment 0.0079 0.00832 0.34 0.0095 0.00788 0.32 0.4625 0.9995 3131462 CMLD2_000558 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(CC)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M13 mock treatment -0.0151 -0.0147 -0.6 -0.0156 -0.0171 -0.69 -0.9079 -0.9974 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M14 mock treatment 0.0039 0.00432 0.18 0.0174 0.0158 0.64 0.5735 0.8696 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M15 compound treatment -1.0E-4 3.23E-4 0.01 -0.0076 -0.00915 -0.37 -0.2505 -0.6814 3131463 CMLD2_000559 CC(=CCC/C(=C/CO\N=C\1/[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(C)c4=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M16 compound treatment -0.0041 -0.00368 -0.15 -0.0165 -0.0181 -0.73 -0.6194 -0.8348 3011176 CMLD2_000560 O[C@@H]1[C@@H]2O[C@@H]2C(=O)C3=CC[C@@H]4[C@H]([C@@H]13)C(=O)N(C[C@@H]5CCCO5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M17 compound treatment 0.0049 0.00532 0.22 0.0174 0.0158 0.64 0.6022 0.8969 3131464 CMLD2_000561 O[C@@H]1CC(=O)[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M18 compound treatment 0.0189 0.0193 0.78 -0.0025 -0.0041 -0.16 0.4377 0.5466 3011178 CMLD2_000562 Cn1c(=O)n2CC[C@H]3[C@H]([C@H](O)[C@@H]4O[C@@H]4C3=O)n2c1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M19 compound treatment 0.0099 0.0103 0.42 0.0115 0.00988 0.4 0.5766 0.9996 3131465 CMLD2_000563 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M20 compound treatment -0.0141 -0.0137 -0.56 0.0084 0.00688 0.28 -0.1976 -0.3184 3011181 CMLD2_000564 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M21 compound treatment 0.0039 0.00429 0.17 0.0065 0.00488 0.2 0.2617 0.9983 3131466 CMLD2_000565 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M22 compound treatment 0.0099 0.0103 0.42 0.0085 0.0069 0.28 0.4911 0.9802 3011183 CMLD2_000566 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](C)COC(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M23 compound treatment 0.0059 0.00629 0.26 0.0065 0.0049 0.2 0.3196 0.9918 3131467 CMLD2_000567 CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 M24 compound treatment -0.0031 -0.00271 -0.11 0.0045 0.0029 0.12 0.0048 0.0298 3131468 CMLD2_000568 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N01 compound treatment -0.0321 -0.0317 -1.28 -0.0165 -0.0181 -0.73 -1.4229 -0.9638 3131469 CMLD2_000569 CC(=CCC/C(=C/CO\N=C\1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4ccc(F)cc4F)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N02 compound treatment -0.0341 -0.0337 -1.37 -0.0226 -0.0241 -0.97 -1.6506 -0.9858 3011201 CMLD2_000570 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccccc5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N03 compound treatment -0.0191 -0.0187 -0.76 -0.0316 -0.0331 -1.33 -1.476 -0.9644 3131470 CMLD2_000571 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N04 compound treatment -0.0341 -0.0337 -1.37 -0.0215 -0.0231 -0.93 -1.6208 -0.9821 3131471 CMLD2_000572 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N05 compound treatment -0.0121 -0.0117 -0.47 -5.0E-4 -0.0021 -0.08 -0.3945 -0.8201 3011203 CMLD2_000573 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N06 compound treatment -0.0161 -0.0157 -0.64 -0.0165 -0.0181 -0.73 -0.9641 -0.9977 3131472 CMLD2_000574 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N07 compound treatment -0.0191 -0.0187 -0.76 -0.0095 -0.0111 -0.45 -0.8508 -0.9681 3011205 CMLD2_000575 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N08 compound treatment -0.0261 -0.0257 -1.04 -0.0146 -0.0161 -0.65 -1.194 -0.9739 3131588 CMLD2_000576 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N09 mock treatment -0.0241 -0.0237 -0.96 -0.0126 -0.0141 -0.57 -1.0799 -0.9684 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N10 mock treatment 0.0019 0.00229 0.09 0.0015 -9.9E-5 0.0 0.063 0.6763 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N11 compound treatment -0.0151 -0.0147 -0.6 -0.0126 -0.0141 -0.57 -0.8218 -0.9997 3011207 CMLD2_000577 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C4CCCCC4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N12 compound treatment -0.0041 -0.00371 -0.15 -0.0025 -0.0041 -0.16 -0.2228 -0.999 3131589 CMLD2_000578 CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/NC(=O)OCc4ccc(OC)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N13 mock treatment -0.0061 -0.00571 -0.23 -5.0E-4 -0.0021 -0.08 -0.2233 -0.9065 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N14 mock treatment 9.0E-4 0.00129 0.05 -0.0025 -0.0041 -0.16 -0.0793 -0.4591 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N15 compound treatment -0.0241 -0.0237 -0.96 0.0075 0.0059 0.24 -0.5114 -0.5171 3131590 CMLD2_000579 Cn1c(=O)n2CC[C@H]/3[C@H]([C@H](O)[C@@H]4O[C@@H]4\C3=N/OCCCC#C)n2c1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N16 compound treatment -0.0331 -0.0327 -1.33 -0.0266 -0.0282 -1.13 -1.7369 -0.9969 3011210 CMLD2_000580 C[C@@H](N1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C3=O)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N17 compound treatment -0.0111 -0.0107 -0.43 -0.0136 -0.0151 -0.61 -0.7364 -0.9865 3131591 CMLD2_000581 C[C@H](N1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N18 compound treatment -0.0081 -0.00768 -0.31 -0.0216 -0.0231 -0.93 -0.8766 -0.8952 3011211 CMLD2_000582 O[C@@H]1[C@@H]2O[C@@H]2C(=O)[C@H]3CCn4n([C@@H]13)c(=O)n(Cc5cc6OCOc6cc5Cl)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N19 compound treatment -0.0101 -0.00968 -0.39 -0.0015 -0.0031 -0.12 -0.3655 -0.8878 3131592 CMLD2_000583 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@H](C)COC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N20 compound treatment -1.0E-4 2.93E-4 0.01 0.0055 0.0039 0.16 0.1192 0.7586 3131593 CMLD2_000584 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N21 compound treatment 0.0139 0.0143 0.58 0.0095 0.0079 0.32 0.6342 0.9598 3011214 CMLD2_000585 CO[C@@H]1/C=C/CC(=O)N2CCC[C@H]2C(=O)OC[C@H](C)C(=O)OC[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N22 compound treatment 0.0029 0.00329 0.13 0.0044 0.00285 0.11 0.1754 0.9971 3011226 CMLD2_000586 CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N23 compound treatment 0.0079 0.00829 0.34 0.0044 0.00285 0.11 0.3187 0.8973 3131594 CMLD2_000587 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 N24 compound treatment 0.0109 0.0113 0.46 -0.0315 -0.033 -1.33 -0.6139 -0.4371 3131054 CMLD2_000588 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O01 compound treatment -0.0121 -0.0117 -0.47 0.0025 9.01E-4 0.04 -0.3101 -0.6513 3131595 CMLD2_000589 O[C@@H]1C/C(=N\OCCCC#C)/[C@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O02 compound treatment 0.0039 0.00432 0.18 0.0064 0.00483 0.19 0.2612 0.9987 3011229 CMLD2_000590 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccccc5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O03 compound treatment -0.0031 -0.00268 -0.11 -0.0086 -0.0101 -0.41 -0.365 -0.8653 3131596 CMLD2_000591 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O04 compound treatment -0.0041 -0.00368 -0.15 0.0024 8.31E-4 0.03 -0.0818 -0.5356 3011196 CMLD2_000592 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O05 compound treatment -0.0071 -0.00668 -0.27 4.0E-4 -0.00117 -0.05 -0.2247 -0.8175 3131597 CMLD2_000593 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(Cc4ccc5OCOc5c4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O06 compound treatment 9.0E-4 0.00132 0.05 -0.0026 -0.00417 -0.17 -0.0804 -0.4575 3131598 CMLD2_000594 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N([C@@H](C)c4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O07 compound treatment -0.0161 -0.0157 -0.64 0.0045 0.00293 0.12 -0.3672 -0.5668 3011231 CMLD2_000595 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C[C@@H]5CCCO5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O08 compound treatment 0.0039 0.00432 0.18 -0.0036 -0.00515 -0.21 -0.0222 -0.082 3131599 CMLD2_000596 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O09 compound treatment -0.0111 -0.0107 -0.43 -0.0016 -0.00317 -0.13 -0.397 -0.8775 3011237 CMLD2_000597 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)C(C)(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O10 compound treatment -0.0081 -0.00771 -0.31 -0.0065 -0.0081 -0.33 -0.451 -0.9998 3131600 CMLD2_000598 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O11 mock treatment -0.0101 -0.00971 -0.39 4.0E-4 -0.00117 -0.05 -0.3115 -0.7859 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O12 mock treatment -0.0021 -0.00171 -0.07 -0.0056 -0.00715 -0.29 -0.252 -0.8531 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O13 compound treatment -0.0201 -0.0197 -0.8 0.0144 0.0128 0.52 -0.2007 -0.2111 3011239 CMLD2_000599 OC[C@H]1O[C@@H](O/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(C5CCCCC5)C4=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O14 compound treatment -0.0091 -0.00868 -0.35 0.0034 0.00183 0.07 -0.1968 -0.5475 3131601 CMLD2_000600 CC(=CCC/C(=C/CO\N=C\1/[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)/C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O15 compound treatment -0.0051 -0.00468 -0.19 0.0084 0.00683 0.27 0.0599 0.1795 3131602 CMLD2_000601 Cn1c(=O)n2CC[C@H]/3[C@H]([C@H](O)[C@@H]4O[C@@H]4\C3=N/OC[C@@H](O)COCc5ccco5)n2c1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O16 compound treatment -0.0111 -0.0107 -0.43 -6.0E-4 -0.00217 -0.09 -0.3686 -0.8324 3012175 CMLD2_000602 CCOC(=O)CCN1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O17 compound treatment -0.0031 -0.00268 -0.11 0.0115 0.00988 0.4 0.2038 0.4955 3012176 CMLD2_000603 O[C@@H]1CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(C[C@@H]4CCCO4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O18 compound treatment -0.0011 -6.77E-4 -0.03 -0.0025 -0.0041 -0.16 -0.1358 -0.8137 3012177 CMLD2_000604 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(Cc4ccccc4)C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O19 compound treatment -0.0051 -0.00468 -0.19 0.0055 0.00388 0.16 -0.0239 -0.0973 3012178 CMLD2_000605 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)C/C=C/[C@H]1C)[C@@H](O)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O20 compound treatment -0.0281 -0.0277 -1.12 5.0E-4 -0.0011 -0.04 -0.8248 -0.7343 3012179 CMLD2_000606 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)\C=C\[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O21 compound treatment 0.0069 0.00732 0.3 0.0055 0.0039 0.16 0.3208 0.9553 3131603 CMLD2_000607 CO[C@@H]1/C=C/CC(=O)N2CCC[C@H]2C(=O)OC[C@@H](C)C(=O)OC[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O22 compound treatment 0.0149 0.0153 0.62 0.0055 0.0039 0.16 0.5502 0.8585 3011105 CMLD2_000608 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O23 compound treatment 0.0169 0.0173 0.7 0.0025 9.01E-4 0.04 0.5223 0.7425 3012180 CMLD2_000609 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 O24 compound treatment -0.0021 -0.00171 -0.07 -0.0085 -0.0101 -0.41 -0.3357 -0.816 3131604 CMLD2_000610 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P01 compound treatment -0.0571 -0.0567 -2.3 -0.0306 -0.0322 -1.29 -2.5387 -0.9629 3131605 CMLD2_000611 O[C@@H](COCc1ccco1)CO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)c5ccc(F)cc5F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P02 compound treatment -0.0221 -0.0217 -0.88 -0.0266 -0.0281 -1.13 -1.4201 -0.9923 3012181 CMLD2_000612 O[C@@H]1C/C(=N\OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C4=O)c5ccc(F)cc5F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P03 compound treatment -0.0361 -0.0357 -1.45 -0.0186 -0.0201 -0.81 -1.5944 -0.9621 3131606 CMLD2_000613 CCOC(=O)N/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P04 compound treatment -0.0301 -0.0297 -1.2 -0.0285 -0.0301 -1.21 -1.7064 -1.0 3012182 CMLD2_000614 CC(C)CO/N=C/1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]3[C@@H](CC[C@H]21)C(=O)N(C3=O)c4cccc(Oc5ccccc5)c4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P05 compound treatment -0.0281 -0.0277 -1.12 -0.0296 -0.0311 -1.25 -1.6773 -0.9986 3131723 CMLD2_000615 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(Cc5ccc6OCOc6c5)C4=O)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P06 compound treatment -0.0211 -0.0207 -0.84 -0.0296 -0.0311 -1.25 -1.4766 -0.9812 3131724 CMLD2_000616 C[C@H](N1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC\C=C(/C)\CCC=C(C)C)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P07 compound treatment -0.0441 -0.0437 -1.77 -0.0306 -0.0322 -1.29 -2.166 -0.988 3012183 CMLD2_000617 O[C@@H]1C/C(=N\NC(=O)OCc2ccccc2)/[C@@H]3CC[C@@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(C[C@@H]5CCCO5)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P08 compound treatment -0.0221 -0.0217 -0.88 -0.0095 -0.0111 -0.45 -0.9368 -0.9504 3131725 CMLD2_000618 CCOC(=O)CCN1C(=O)[C@@H]2CC[C@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCCCC#C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P09 compound treatment -0.0211 -0.0207 -0.84 -0.0236 -0.0251 -1.01 -1.3062 -0.9958 3012184 CMLD2_000619 COc1ccc(COC(=O)N/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@@H]32)C(=O)N(C4=O)C(C)(C)C)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P10 compound treatment -0.0211 -0.0207 -0.84 -0.0256 -0.0271 -1.09 -1.363 -0.9917 3131726 CMLD2_000620 CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P11 mock treatment -0.0341 -0.0337 -1.37 -0.0316 -0.0331 -1.33 -1.9062 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P12 mock treatment -0.0271 -0.0267 -1.08 -0.0095 -0.0111 -0.45 -1.0808 -0.9234 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P13 compound treatment -0.0311 -0.0307 -1.24 -0.0396 -0.0411 -1.65 -2.0473 -0.9903 3131727 CMLD2_000621 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P14 compound treatment -0.0221 -0.0217 -0.88 -0.0176 -0.0191 -0.77 -1.1645 -0.9977 3012185 CMLD2_000622 O[C@@H]1[C@@H]2O[C@@H]2/C(=N\OCCCC#C)/[C@H]3CCn4n([C@@H]13)c(=O)n(c5ccccc5)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P15 compound treatment -0.0331 -0.0327 -1.33 -0.0085 -0.0101 -0.41 -1.2238 -0.8831 3131728 CMLD2_000623 O[C@@H]1[C@@H]2O[C@@H]2/C(=N\OCc3ccccc3)/[C@H]4CCn5n([C@@H]14)c(=O)n(Cc6cc7OCOc7cc6Cl)c5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P16 compound treatment -0.0541 -0.0537 -2.18 -0.0396 -0.0412 -1.65 -2.7083 -0.9908 3012186 CMLD2_000624 CC(C)(C)N1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@H](O)[C@@H]4O[C@@H]4C3=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P17 compound treatment -0.0231 -0.0227 -0.92 -0.0316 -0.0331 -1.33 -1.5907 -0.9838 3131729 CMLD2_000625 C[C@H](N1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)CC3=O)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P18 compound treatment -0.0311 -0.0307 -1.24 -0.0066 -0.00812 -0.33 -1.1102 -0.8633 3012187 CMLD2_000626 O[C@@H]1C=CC(=O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C3=O)c4ccc(F)cc4F 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P19 compound treatment -0.0231 -0.0227 -0.92 -0.0226 -0.0241 -0.97 -1.3352 -0.9997 3131730 CMLD2_000627 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)C/C=C/[C@H]1C)[C@H](O)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P20 compound treatment -0.0141 -0.0137 -0.55 -0.0126 -0.0141 -0.57 -0.7931 -0.9999 3012188 CMLD2_000628 C[C@H]/1COC(=O)C\C=C\[C@@H](C)[C@H]2O[C@H](COC(=O)C\C=C1)[C@@H](O)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P21 compound treatment -0.0181 -0.0177 -0.72 -0.0035 -0.0051 -0.2 -0.6517 -0.8741 3131731 CMLD2_000629 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P22 compound treatment -0.0151 -0.0147 -0.6 -0.0106 -0.0122 -0.49 -0.7664 -0.9952 3012189 CMLD2_000630 CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](C)COC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P23 compound treatment -0.0311 -0.0307 -1.24 -0.0066 -0.00817 -0.33 -1.1116 -0.864 3131732 CMLD2_000631 CO[C@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@H](C)[C@H](COC(=O)[C@H](OCc3ccccc3)/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2110 P24 compound treatment 0.0019 0.00232 0.09 -0.0015 -0.0031 -0.12 -0.0214 -0.137 3131733 CMLD2_000632 CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A01 compound treatment -0.09 -0.0896 -3.63 -0.0826 -0.0828 -3.33 -4.9207 -0.999 3012190 CMLD2_000633 CO[C@@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A02 compound treatment -0.085 -0.0846 -3.43 -0.0886 -0.0888 -3.57 -4.9477 -0.9998 3131321 CMLD2_000634 C[C@@H]1/C=C/CC(=O)OC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C/CC(=O)OC[C@H]3O[C@H]1C=C[C@@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A03 compound treatment -0.044 -0.0436 -1.77 -0.0376 -0.0378 -1.52 -2.3255 -0.9971 3131734 CMLD2_000635 CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A04 compound treatment -0.087 -0.0866 -3.51 -0.0806 -0.0808 -3.25 -4.7779 -0.9992 3131735 CMLD2_000636 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@H](C)c3cn(nn3)[C@@H]4COC[C@H]4O)/C)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A05 compound treatment -0.042 -0.0416 -1.69 -0.0336 -0.0338 -1.36 -2.1546 -0.9942 3012191 CMLD2_000637 C[C@H](O/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3)c4cn(nn4)[C@H](CO)Cc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A06 compound treatment -0.051 -0.0506 -2.05 -0.0496 -0.0498 -2.0 -2.867 -0.9999 3131736 CMLD2_000638 C[C@H](O/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)c2cn(nn2)[C@H](CO)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A07 compound treatment -0.044 -0.0436 -1.77 -0.0446 -0.0448 -1.8 -2.5234 -1.0 3012192 CMLD2_000639 CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)/CCN2CCCCc3nc(C)c(C)cc23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A08 compound treatment -0.036 -0.0356 -1.44 -0.0356 -0.0358 -1.44 -2.0393 -1.0 3131737 CMLD2_000640 CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A09 compound treatment -0.055 -0.0546 -2.22 -0.0396 -0.0398 -1.6 -2.6977 -0.9872 3131738 CMLD2_000641 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)cc2)c4ccc(C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A10 compound treatment -0.043 -0.0426 -1.73 -0.0366 -0.0368 -1.48 -2.2676 -0.997 3012193 CMLD2_000642 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@@H](C)c2cc(no2)c3c(C)cc(C)cc3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A11 compound treatment -0.035 -0.0346 -1.4 -0.0386 -0.0388 -1.56 -2.0958 -0.9986 3131739 CMLD2_000643 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@H](C)c4cn(nn4)[C@@H]5COC[C@H]5O)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A12 compound treatment -0.042 -0.0416 -1.69 -0.0346 -0.0348 -1.4 -2.1829 -0.9956 3012194 CMLD2_000644 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@H]4C=C[C@@H](CC=C)O[C@@H]4CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A13 mock treatment -0.05 -0.0496 -2.01 -0.0476 -0.0478 -1.92 -2.7815 -0.9997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A14 mock treatment -0.06 -0.0596 -2.42 -0.0546 -0.0548 -2.2 -3.267 -0.9989 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A15 compound treatment -0.071 -0.0706 -2.86 -0.0626 -0.0628 -2.52 -3.8079 -0.998 3131740 CMLD2_000645 CCc1cc2CN(CC/C(=N/OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(OC)cc4)c5ccccc5)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A16 compound treatment -0.047 -0.0466 -1.89 -0.0476 -0.0478 -1.92 -2.6955 -1.0 3131741 CMLD2_000646 CCc1cc2CN(CC/C(=N/O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A17 compound treatment -0.036 -0.0356 -1.44 -0.0396 -0.0398 -1.6 -2.1529 -0.9987 3012195 CMLD2_000647 C[C@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cc(no5)c6c(C)cc(C)cc6C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A18 compound treatment -0.047 -0.0466 -1.89 -0.0436 -0.0438 -1.76 -2.5819 -0.9994 3131860 CMLD2_000648 CO[C@H](/C=N/O[C@@H](C)c1cc(no1)c2c(C)cc(C)cc2C)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A19 compound treatment -0.052 -0.0516 -2.09 -0.0526 -0.0528 -2.12 -2.9809 -1.0 3012196 CMLD2_000649 C[C@H](ON=C(C)C)c1cc(no1)c2c(C)cc(C)cc2C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A20 compound treatment -0.046 -0.0456 -1.85 -0.0496 -0.0498 -2.0 -2.7228 -0.9992 3131861 CMLD2_000650 CO/N=C/[C@@H](C)[C@H](OCc1ccccc1)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A21 compound treatment -0.061 -0.0606 -2.46 -0.0526 -0.0528 -2.12 -3.2381 -0.9973 3131714 CMLD2_000651 COC(=O)C1=C(C)N(Cc2ccccc2)[C@]3(O[C@]4([C@H]5CCCC(=O)[C@H]53)C(=O)OC)N([C@@H]1c6ccccc6)C4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A22 compound treatment -0.055 -0.0546 -2.21 -0.0546 -0.0548 -2.2 -3.122 -1.0 3012197 CMLD2_000652 C[C@@H]1CC[C@@H]2N(C[C@@H](COC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A23 mock treatment -0.045 -0.0446 -1.81 -0.0406 -0.0408 -1.64 -2.4376 -0.9988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 A24 mock treatment -0.062 -0.0616 -2.5 -0.0576 -0.0578 -2.32 -3.4079 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B01 compound treatment -0.008 -0.00765 -0.31 -0.0066 -0.00679 -0.27 -0.4122 -0.9979 3131862 CMLD2_000653 CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B02 compound treatment -0.008 -0.00765 -0.31 -0.0066 -0.00679 -0.27 -0.4123 -0.9979 3011062 CMLD2_000654 C[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](Cc2ccccc2)NC1=O)NS(=O)(=O)c3ccc(C)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B03 compound treatment 0.01 0.0103 0.42 0.0114 0.0112 0.45 0.615 0.9994 3131863 CMLD2_000655 CO[C@@H]1COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)CCC[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B04 compound treatment 0.014 0.0144 0.58 0.0174 0.0172 0.69 0.8995 0.9965 3012198 CMLD2_000656 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B05 compound treatment 0.02 0.0204 0.83 0.0164 0.0162 0.65 1.0432 0.9929 3131864 CMLD2_000657 C[C@H](O/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3)c4cc(no4)c5c(C)cc(C)cc5C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B06 compound treatment 0.0029 0.00335 0.14 0.0064 0.00621 0.25 0.2723 0.9593 3131865 CMLD2_000658 C[C@H](O/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)c2cc(no2)c3c(C)cc(C)cc3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B07 compound treatment 0.004 0.00435 0.18 0.0064 0.00621 0.25 0.301 0.9856 3012199 CMLD2_000659 C[C@@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B08 compound treatment 0.019 0.0194 0.79 0.0254 0.0252 1.01 1.2701 0.9922 3131866 CMLD2_000660 C[C@@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B09 compound treatment -0.005 -0.00462 -0.19 0.0144 0.0142 0.57 0.2709 0.4512 3131867 CMLD2_000661 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)cc2)c5ccc(C)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B10 compound treatment 0.018 0.0183 0.74 0.0194 0.0192 0.77 1.0724 0.9998 3012228 CMLD2_000662 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC[C@@H](C)[C@H](OCc2ccccc2)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B11 compound treatment 0.011 0.0113 0.46 0.0154 0.0152 0.61 0.7573 0.9903 3131868 CMLD2_000663 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)c4cn(nn4)[C@H](CO)Cc5ccccc5)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B12 compound treatment 0.0069 0.00735 0.3 0.0114 0.0112 0.45 0.529 0.98 3130911 CMLD2_000664 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)COCc4ccco4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B13 mock treatment 0.003 0.00337 0.14 0.0124 0.0122 0.49 0.4422 0.8714 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B14 mock treatment 0.014 0.0144 0.58 0.0184 0.0182 0.73 0.9279 0.9938 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B15 compound treatment 0.005 0.00535 0.22 0.0074 0.00721 0.29 0.358 0.9899 3131869 CMLD2_000665 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCc3nc(CC)c(CC)cc3C2)C=C[C@@H]1Oc4ccc(OC)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B16 compound treatment 0.017 0.0173 0.7 0.0204 0.0202 0.81 1.071 0.9975 3012230 CMLD2_000666 CCc1cc2CN(CC/C(=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B17 compound treatment 0.015 0.0154 0.62 0.0174 0.0172 0.69 0.9282 0.9987 3131870 CMLD2_000667 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B18 compound treatment 0.016 0.0164 0.66 0.0174 0.0172 0.69 0.9569 0.9998 3012231 CMLD2_000668 CO[C@H](/C=N/OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B19 compound treatment 0.008 0.00835 0.34 0.0074 0.00721 0.29 0.4441 0.9969 3131871 CMLD2_000669 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CON=C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B20 compound treatment 0.0069 0.00735 0.3 0.0024 0.00221 0.09 0.2734 0.8793 3012232 CMLD2_000670 CCc1cc2CN(CC/C(=N/OC)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B21 compound treatment 0.092 0.0924 3.75 0.0914 0.0912 3.66 5.2393 0.9999 3131872 CMLD2_000671 C[C@@H]1CC[C@@H]2N(C[C@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B22 compound treatment 0.004 0.00438 0.18 0.0034 0.00324 0.13 0.2175 0.9882 3131873 CMLD2_000672 COc1ccc(OC[C@H]2CN3[C@H]([C@H](C)CC[C@H]3C(=O)O2)c4ccc(Br)cc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B23 mock treatment 0.017 0.0174 0.7 0.0154 0.0152 0.61 0.931 0.9975 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 B24 mock treatment 0.0159 0.0163 0.66 0.0174 0.0172 0.69 0.9583 0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C01 compound treatment -0.008 -0.00765 -0.31 -0.0046 -0.00479 -0.19 -0.3555 -0.9737 3012233 CMLD2_000673 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C02 compound treatment -0.014 -0.0136 -0.55 -0.0056 -0.00579 -0.23 -0.5551 -0.9261 3011181 CMLD2_000674 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C03 compound treatment -0.015 -0.0146 -0.59 -0.0176 -0.0178 -0.72 -0.926 -0.9956 3131874 CMLD2_000675 CO[C@@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)CCC[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C04 compound treatment 0.006 0.00637 0.26 4.0E-4 1.97E-4 0.01 0.1882 0.7284 3131875 CMLD2_000676 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@@H](C)c3cc(no3)c4c(C)cc(C)cc4C)/C)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C05 compound treatment 0.012 0.0124 0.5 0.0094 0.00917 0.37 0.615 0.9884 3012234 CMLD2_000677 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C06 compound treatment -0.005 -0.00465 -0.19 -0.0056 -0.00579 -0.23 -0.2979 -0.9946 3131876 CMLD2_000678 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C/C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C07 compound treatment -0.006 -0.00565 -0.23 -0.0206 -0.0208 -0.83 -0.7517 -0.8692 3131877 CMLD2_000679 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C(\C)/CCN3CCCc4nc(C)c(C)cc34)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C08 compound treatment 0.0 3.49E-4 0.01 0.0044 0.00421 0.17 0.1295 0.7637 3012270 CMLD2_000680 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(OC)cc4)c5ccccc5)cc2)c6ccc(C)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C09 compound treatment -1.0E-4 3.49E-4 0.01 0.0024 0.00221 0.09 0.0727 0.8096 3131878 CMLD2_000681 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(OC)cc3)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C10 compound treatment 9.0E-4 0.00135 0.05 -0.0036 -0.00379 -0.15 -0.069 -0.4265 3131879 CMLD2_000682 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C11 mock treatment 0.0029 0.00335 0.14 0.0014 0.00121 0.05 0.1304 0.9041 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C12 mock treatment -1.0E-4 3.48E-4 0.01 0.0014 0.00121 0.05 0.0443 0.8765 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C13 compound treatment 0.0019 0.00235 0.1 -0.0076 -0.00776 -0.31 -0.1531 -0.4696 3012273 CMLD2_000683 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C/3\[C@H]4O[C@H]4[C@@H](O)[C@H]5[C@@H]3CCn6n5c(=O)n(c7ccccc7)c6=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C14 compound treatment -0.012 -0.0116 -0.47 -0.0106 -0.0108 -0.43 -0.6397 -0.9991 3131994 CMLD2_000684 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OCC[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C15 mock treatment -0.004 -0.00365 -0.15 -0.0136 -0.0138 -0.56 -0.4975 -0.8653 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C16 mock treatment 0.007 0.00737 0.3 0.0094 0.00917 0.37 0.4716 0.9946 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C17 compound treatment -0.0021 -0.00165 -0.07 -0.0066 -0.00679 -0.27 -0.2402 -0.8552 3131995 CMLD2_000685 CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C18 compound treatment 0.004 0.00435 0.18 0.0014 0.00121 0.05 0.159 0.8692 3012274 CMLD2_000686 CO[C@H](/C=N/O[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C19 compound treatment -0.008 -0.00765 -0.31 -0.0166 -0.0168 -0.67 -0.6963 -0.9379 3012275 CMLD2_000687 CC(=NO[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C20 compound treatment -0.009 -0.0086 -0.35 -0.0076 -0.00776 -0.31 -0.4671 -0.9984 3131996 CMLD2_000688 CO/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C21 compound treatment 0.0049 0.00535 0.22 0.0014 0.00121 0.05 0.1878 0.8447 3011349 CMLD2_000689 C[C@@H]1CC[C@@H]2N(C[C@@H](COS(=O)(=O)c3ccc(C)cc3)OC2=O)[C@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C22 compound treatment 0.0029 0.00335 0.14 0.0074 0.00721 0.29 0.3008 0.9404 3131997 CMLD2_000690 COc1ccc(OC[C@@H]2CC3[C@H]([C@H](C)CC[C@H]3C(=O)O2)c4ccc(Br)cc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C23 mock treatment -0.008 -0.00763 -0.31 -0.0066 -0.00683 -0.27 -0.4129 -0.9982 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 C24 mock treatment 0.005 0.00535 0.22 0.0094 0.00921 0.37 0.4148 0.9677 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D01 compound treatment -0.024 -0.0236 -0.96 -0.0166 -0.0168 -0.68 -1.1548 -0.9855 3012277 CMLD2_000691 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)[C@@H](O)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D02 compound treatment -0.011 -0.0106 -0.43 -0.0106 -0.0108 -0.43 -0.6108 -1.0 3131998 CMLD2_000692 CO[C@@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@H](C)[C@H](COC(=O)[C@H](CCSC)NC(=O)C\C=C\[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D03 compound treatment -0.01 -0.00963 -0.39 -0.0096 -0.0098 -0.39 -0.5546 -1.0 3012278 CMLD2_000693 CO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)C/C=C/[C@@H](C)COC(=O)CCC[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D04 compound treatment -0.018 -0.0176 -0.71 -0.0146 -0.0148 -0.59 -0.9259 -0.9958 3131999 CMLD2_000694 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)/C)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D05 compound treatment -0.009 -0.00863 -0.35 -0.0076 -0.00783 -0.31 -0.4699 -0.9986 3132000 CMLD2_000695 CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D06 compound treatment -0.012 -0.0116 -0.47 -0.0146 -0.0148 -0.59 -0.753 -0.9933 3012279 CMLD2_000696 CC(=O)OC[C@H]1O[C@H](C/C=N/OC2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D07 compound treatment -0.005 -0.00463 -0.19 0.0054 0.00521 0.21 0.0151 0.0536 3132001 CMLD2_000697 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23)C=C[C@@H]1Oc4ccc(OC)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D08 compound treatment 0.005 0.00535 0.22 0.0094 0.00921 0.37 0.4148 0.9677 3132002 CMLD2_000698 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/c2ccc(cc2)C(=O)N3[C@@H](CC[C@H](C)[C@H]3c4ccc(C)cc4)C(=O)OC)C=C[C@@H]1Oc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D09 compound treatment 0.004 0.00435 0.18 0.0034 0.00321 0.13 0.2159 0.9882 3012280 CMLD2_000699 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)\C=C\CC(=O)OC)C=C[C@@H]1Oc3ccc(OC)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D10 compound treatment 0.003 0.0034 0.14 -0.0016 -0.0018 -0.07 0.0463 0.2971 3132003 CMLD2_000700 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D11 mock treatment 0.007 0.00738 0.3 0.0104 0.0102 0.41 0.5014 0.988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D12 mock treatment -0.001 -6.31E-4 -0.03 -0.0046 -0.0048 -0.19 -0.1545 -0.7939 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D13 compound treatment -0.009 -0.00863 -0.35 -0.0026 -0.00279 -0.11 -0.3268 -0.8892 3012281 CMLD2_000701 CC1(C)O[C@H]2O[C@H]([C@H](O)CO/N=C/3\[C@H]4O[C@H]4[C@@H](O)[C@H]5[C@@H]3CCn6n5c(=O)n(c7ccccc7)c6=O)[C@H](O)[C@H]2O1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D14 compound treatment -0.019 -0.0186 -0.75 -0.0156 -0.0158 -0.64 -0.983 -0.9964 3132004 CMLD2_000702 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC(C)CN2CCCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D15 mock treatment -0.017 -0.0166 -0.67 -0.0176 -0.0178 -0.72 -0.9825 -0.9995 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D16 mock treatment 0.0019 0.00235 0.1 0.0014 0.00121 0.05 0.1016 0.9508 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D17 compound treatment -0.023 -0.0226 -0.92 -0.0256 -0.0258 -1.04 -1.3814 -0.9982 3132005 CMLD2_000703 C[C@@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@H](CO)Cc6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D18 compound treatment -0.006 -0.00563 -0.23 -6.0E-4 -7.93E-4 -0.03 -0.184 -0.7981 3012283 CMLD2_000704 CO[C@H](/C=N/O[C@H](C)c1cn(nn1)[C@H](CO)Cc2ccccc2)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D19 compound treatment -0.014 -0.0136 -0.55 -0.0136 -0.0138 -0.56 -0.7837 -1.0 3132006 CMLD2_000705 C[C@@H](ON=C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D20 compound treatment -0.0021 -0.00165 -0.07 -0.0066 -0.00683 -0.27 -0.2414 -0.8545 3012284 CMLD2_000706 CO/N=C/[C@@H](OC)[C@H](C)\C=C\CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D21 compound treatment -0.009 -0.0086 -0.35 -0.0036 -0.0038 -0.15 -0.3546 -0.9314 3132007 CMLD2_000707 CCCC[C@H]1CN2[C@H]([C@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D22 compound treatment 0.0019 0.00235 0.1 0.0034 0.00324 0.13 0.1593 0.9883 3132008 CMLD2_000708 C[C@H]1CC[C@@H]2N(C[C@@H](COc3ccc(cc3)C(C)(C)C)OC2=O)[C@@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D23 mock treatment -0.003 -0.0026 -0.11 -6.0E-4 -8.03E-4 -0.03 -0.0974 -0.883 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 D24 mock treatment 0.006 0.00635 0.26 0.0064 0.00621 0.25 0.3583 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E01 mock treatment -0.007 -0.00665 -0.27 -0.0016 -0.00179 -0.07 -0.2414 -0.8651 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E02 mock treatment 0.0019 0.00235 0.1 0.0144 0.0142 0.57 0.4697 0.8142 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E03 compound treatment -0.0101 -0.00965 -0.39 0.0074 0.00717 0.29 -0.0732 -0.1507 3012286 CMLD2_000709 CO[C@@H]1COC(=O)CCC[C@@H](C)[C@@H](COC(=O)CCC[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E04 compound treatment 0.011 0.0114 0.46 0.0124 0.0122 0.49 0.6715 0.9996 3132009 CMLD2_000710 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)/C)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E05 compound treatment 0.019 0.0194 0.79 0.0194 0.0192 0.77 1.0997 0.9999 3012287 CMLD2_000711 C[C@@H](O/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3)c4cn(nn4)[C@H](CO)Cc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E06 compound treatment 0.009 0.00937 0.38 0.0094 0.0092 0.37 0.5298 0.9999 3132010 CMLD2_000712 C[C@@H](O/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)c2cn(nn2)[C@H](CO)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E07 compound treatment 0.007 0.0074 0.3 0.0014 0.00117 0.05 0.2453 0.8077 3012333 CMLD2_000713 CC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E08 compound treatment 0.02 0.0204 0.83 0.0204 0.0202 0.81 1.1585 1.0 3132011 CMLD2_000714 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OCC[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3)cc2)c4ccc(C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E09 mock treatment 0.019 0.0194 0.79 0.0124 0.0122 0.49 0.9009 0.9739 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E10 mock treatment 0.021 0.0214 0.87 0.0214 0.0212 0.85 1.2139 1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E11 compound treatment -0.007 -0.00665 -0.27 -0.0906 -0.0908 -3.65 -2.7681 -0.7574 3012334 CMLD2_000715 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)c4cc(no4)c5c(C)cc(C)cc5C)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E12 compound treatment 0.015 0.0154 0.62 0.0154 0.0152 0.61 0.8714 0.9999 3132012 CMLD2_000716 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@H](C)c4cn(nn4)[C@@H]5COC[C@H]5O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E13 compound treatment 0.002 0.00237 0.1 0.0094 0.0092 0.37 0.3291 0.8624 3012337 CMLD2_000717 OC[C@H]1O[C@H](CC=C)C=C[C@@H]1O/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E14 compound treatment 0.006 0.00637 0.26 -0.0026 -0.00279 -0.11 0.1033 0.3669 3132130 CMLD2_000718 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC(C)CN2CCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E15 compound treatment 0.022 0.0224 0.91 0.0094 0.00917 0.37 0.9026 0.9209 3132131 CMLD2_000719 CCc1cc2CN(CC/C(=N/OCC[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E16 compound treatment 0.01 0.0104 0.42 0.0074 0.0072 0.29 0.5026 0.983 3132132 CMLD2_000720 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C(\C)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6)c7ccccc7)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E17 mock treatment 0.007 0.00737 0.3 0.0054 0.00517 0.21 0.358 0.9841 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E18 mock treatment 0.021 0.0214 0.87 0.0234 0.0232 0.93 1.2706 0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E19 compound treatment 0.002 0.0024 0.1 -0.0036 -0.00379 -0.15 -0.0389 -0.2153 3012338 CMLD2_000721 CO/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(OC)cc2)c3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E20 mock treatment 0.001 0.0014 0.06 0.0164 0.0162 0.65 0.4992 0.766 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E21 compound treatment 0.011 0.0113 0.46 0.0184 0.0182 0.73 0.8413 0.9753 3131584 CMLD2_000722 C[C@@H]1CC[C@@H]2N(C[C@@H](CN=[N+]=[N-])OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E22 compound treatment -0.054 -0.0536 -2.17 -0.0756 -0.0758 -3.04 -3.6896 -0.9864 3012339 CMLD2_000723 COC(=O)C/C=C/[C@@H](C)[C@H](OCc1cccc(c1)c2ccccc2)C3CCCCC3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E23 mock treatment 0.0049 0.00535 0.22 0.0094 0.00921 0.37 0.4148 0.9677 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 E24 mock treatment 0.009 0.00937 0.38 0.0124 0.0122 0.49 0.6142 0.9923 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F01 mock treatment -0.014 -0.0136 -0.55 -0.0066 -0.00679 -0.27 -0.5838 -0.947 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F02 mock treatment -0.006 -0.0056 -0.23 -0.0086 -0.0088 -0.35 -0.4106 -0.9771 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F03 compound treatment 0.0019 0.00235 0.1 -0.0046 -0.0048 -0.19 -0.069 -0.3209 3132133 CMLD2_000724 C[C@H]1/C=C/CC(=O)OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)/C=C/CC(=O)OC[C@@H]1NS(=O)(=O)c3ccc(C)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F04 compound treatment -0.005 -0.00465 -0.19 -0.0096 -0.00983 -0.39 -0.4126 -0.9428 3012198 CMLD2_000725 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F05 compound treatment -1.0E-4 3.49E-4 0.01 4.0E-4 2.07E-4 0.01 0.0159 0.9675 3132134 CMLD2_000726 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C/C[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F06 compound treatment 0.004 0.00435 0.18 0.0014 0.00121 0.05 0.159 0.8692 3012341 CMLD2_000727 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCCc4nc(C)c(C)cc34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F07 compound treatment 0.003 0.00338 0.14 0.0014 0.0012 0.05 0.1309 0.9012 3132135 CMLD2_000728 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCc4nc(C)c(C)cc34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F08 compound treatment 0.008 0.00835 0.34 0.0134 0.0132 0.53 0.6134 0.9768 3132136 CMLD2_000729 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC(C)CN3CCCCc4nc(C)c(C)cc34)cc2)c5ccc(C)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F09 mock treatment -0.008 -0.00763 -0.31 -0.0026 -0.0028 -0.11 -0.2984 -0.9063 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F10 mock treatment 0.017 0.0173 0.7 0.0124 0.0122 0.49 0.8441 0.9844 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F11 compound treatment -0.004 -0.00363 -0.15 -0.0036 -0.0038 -0.15 -0.2121 -0.9998 3012342 CMLD2_000730 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC[C@@H](C)[C@H](OCc4ccccc4)C(C)C)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F12 compound treatment -0.024 -0.0236 -0.96 0.0014 0.00121 0.05 -0.6425 -0.6705 3132137 CMLD2_000731 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H](C)c4cn(nn4)[C@H](CO)Cc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F13 compound treatment 0.012 0.0124 0.5 0.0014 0.00121 0.05 0.389 0.7718 3010880 CMLD2_000732 O[C@@H](COCc1ccco1)CO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F14 compound treatment 0.005 0.00535 0.22 0.0014 0.00121 0.05 0.1877 0.8444 3012343 CMLD2_000733 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F15 compound treatment 0.006 0.00635 0.26 -0.0056 -0.00583 -0.23 0.0164 0.0472 3132138 CMLD2_000734 CCc1cc2CN(CC/C(=N/OC(C)CN3CCCCc4nc(C)c(C)cc34)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F16 compound treatment 0.014 0.0144 0.58 0.0094 0.00917 0.37 0.6723 0.9755 3132139 CMLD2_000735 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5)C=C[C@@H]1Oc6ccc(OC)cc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F17 mock treatment 0.0039 0.00435 0.18 0.0074 0.00721 0.29 0.3293 0.9718 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F18 mock treatment 0.004 0.00435 0.18 0.0034 0.00321 0.13 0.2158 0.988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F19 compound treatment 0.006 0.00635 0.26 0.0094 0.00921 0.37 0.4435 0.9844 3012344 CMLD2_000736 CO/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F20 mock treatment 0.0029 0.00335 0.14 0.0094 0.00921 0.37 0.3575 0.9075 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F21 compound treatment 0.012 0.0123 0.5 0.0124 0.0122 0.49 0.7016 1.0 3012345 CMLD2_000737 C[C@@H]1CC[C@@H]2N(C[C@@H](COc3ccc(cc3)C(C)(C)C)OC2=O)[C@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F22 compound treatment 0.014 0.0143 0.58 0.0034 0.00324 0.13 0.5034 0.8442 3132140 CMLD2_000738 CO[C@@H]([C@H](C)/C=C/CC(=O)OCCCc1ccccc1)C2CCCCC2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F23 mock treatment 0.018 0.0183 0.74 0.0134 0.0132 0.53 0.9021 0.9864 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 F24 mock treatment 0.0089 0.00935 0.38 0.0104 0.0102 0.41 0.5579 0.9992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G01 compound treatment -0.0101 -0.00965 -0.39 -0.0076 -0.00779 -0.31 -0.498 -0.9939 3132141 CMLD2_000739 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G02 compound treatment -0.013 -0.0126 -0.51 -6.0E-4 -7.93E-4 -0.03 -0.3847 -0.7496 3012346 CMLD2_000740 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G03 mock treatment -0.022 -0.0216 -0.88 -0.0196 -0.0198 -0.79 -1.1806 -0.9988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G04 mock treatment -0.005 -0.00465 -0.19 0.0054 0.00517 0.21 0.0134 0.0476 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G05 compound treatment -0.0121 -0.0117 -0.47 -0.0086 -0.00879 -0.35 -0.5837 -0.9897 3132142 CMLD2_000741 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2)C=C[C@@H]1Oc3ccc(OC)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G06 compound treatment 0.013 0.0134 0.54 -0.0016 -0.00179 -0.07 0.3327 0.6079 3012347 CMLD2_000742 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCCCc4nc(C)c(C)cc34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G07 mock treatment 0.028 0.0284 1.15 0.0194 0.0192 0.77 1.3606 0.9811 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G08 mock treatment 0.004 0.0044 0.18 0.0034 0.0032 0.13 0.2169 0.987 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G09 compound treatment 0.0069 0.00735 0.3 0.0044 0.00421 0.17 0.3302 0.9638 3132143 CMLD2_000743 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OCC[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G10 compound treatment 0.0089 0.00935 0.38 0.0114 0.0112 0.45 0.5863 0.9964 3132144 CMLD2_000744 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C\3/[C@H](O)[C@H](Oc4ccc(OC)cc34)c5cccc(OC)c5)c6ccccc6)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G11 compound treatment -0.011 -0.0106 -0.43 -0.0096 -0.00976 -0.39 -0.5818 -0.9989 3132145 CMLD2_000745 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G12 compound treatment -0.002 -0.00162 -0.07 -0.0026 -0.00279 -0.11 -0.1258 -0.9675 3012401 CMLD2_000746 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H](C)c4cc(no4)c5c(C)cc(C)cc5C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G13 compound treatment -0.019 -0.0186 -0.76 -0.0036 -0.0038 -0.15 -0.642 -0.8333 3132146 CMLD2_000747 C[C@@H](O/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)c6cn(nn6)[C@@H]7COC[C@H]7O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G14 compound treatment -0.001 -6.01E-4 -0.02 -0.0136 -0.0138 -0.55 -0.4081 -0.7376 3012403 CMLD2_000748 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@H]2C=C[C@@H](CC=C)O[C@@H]2CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G15 compound treatment 0.005 0.00537 0.22 0.0034 0.00317 0.13 0.2439 0.9672 3132147 CMLD2_000749 CCc1cc2CN(CC/C(=N/OC(C)CN3CCCc4nc(C)c(C)cc34)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G16 compound treatment -0.007 -0.00662 -0.27 -0.0086 -0.00876 -0.35 -0.4387 -0.9911 3012404 CMLD2_000750 CC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G17 compound treatment 0.009 0.0094 0.38 0.0044 0.00417 0.17 0.3878 0.9317 3132148 CMLD2_000751 CO[C@H](/C=N/OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(OC)cc2)c3ccccc3)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G18 compound treatment 0.0019 0.00235 0.1 0.0074 0.00717 0.29 0.2709 0.8935 3132267 CMLD2_000752 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CON=C(C)C)c3ccccc3)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G19 mock treatment 0.005 0.0054 0.22 -0.0106 -0.0108 -0.43 -0.1517 -0.3123 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G20 mock treatment -0.0111 -0.0107 -0.43 -0.0146 -0.0148 -0.59 -0.7255 -0.9877 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G21 compound treatment 0.0069 0.00735 0.3 0.0084 0.00821 0.33 0.4438 0.9987 3012405 CMLD2_000753 C[C@@H]1CC[C@@H]2N(C[C@H](COc3ccc(cc3)C(C)(C)C)OC2=O)[C@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G22 compound treatment -0.0031 -0.00265 -0.11 0.0044 0.00421 0.17 0.0434 0.217 3132268 CMLD2_000754 CO[C@H]([C@@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)CO)C2CCCCC2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G23 mock treatment -0.0021 -0.00165 -0.07 0.0044 0.00421 0.17 0.0723 0.3973 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 G24 mock treatment -0.014 -0.0136 -0.55 -0.0146 -0.0148 -0.6 -0.812 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H01 compound treatment -0.008 -0.00763 -0.31 -0.0106 -0.0108 -0.44 -0.5265 -0.9861 3012408 CMLD2_000755 CO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)CCC[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H02 compound treatment -0.01 -0.00963 -0.39 -0.0146 -0.0148 -0.6 -0.6974 -0.979 3132269 CMLD2_000756 C[C@H]/1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C\C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H03 mock treatment -0.006 -0.00563 -0.23 -0.0126 -0.0128 -0.52 -0.5259 -0.9329 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H04 mock treatment -0.007 -0.00663 -0.27 -0.0076 -0.00779 -0.31 -0.4115 -0.9971 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H05 compound treatment -0.004 -0.00365 -0.15 4.0E-4 2.14E-4 0.01 -0.0986 -0.665 3132270 CMLD2_000757 CC(=O)OC[C@H]1O[C@H](CCO/N=C/C[C@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C2)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H06 compound treatment -0.001 -6.51E-4 -0.03 -0.0056 -0.00579 -0.23 -0.1832 -0.7823 3012411 CMLD2_000758 C/C(=N\OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)/CCN3CCCCc4nc(C)c(C)cc34 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H07 mock treatment -0.014 -0.0136 -0.55 -0.0086 -0.00879 -0.35 -0.6405 -0.9765 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H08 compound treatment 0.0 3.49E-4 0.01 -0.0126 -0.0128 -0.52 -0.3544 -0.6874 3132271 CMLD2_000759 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)cc2)c5ccc(C)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H09 compound treatment 0.001 0.00135 0.05 -0.0036 -0.00379 -0.15 -0.069 -0.4265 3132272 CMLD2_000760 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC(C)CN2CCCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H10 compound treatment 0.004 0.00435 0.18 0.0014 0.00121 0.05 0.159 0.8692 3012412 CMLD2_000761 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C\2/[C@H](O)[C@H](Oc3ccc(OC)cc23)c4cccc(OC)c4)C=C[C@@H]1Oc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H11 compound treatment -0.014 -0.0136 -0.55 -0.0126 -0.0128 -0.52 -0.7553 -0.9994 3132273 CMLD2_000762 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@H](C)c4cn(nn4)[C@H](CO)Cc5ccccc5)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H12 compound treatment -0.016 -0.0156 -0.63 -0.0056 -0.00579 -0.23 -0.6127 -0.9075 3132274 CMLD2_000763 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](C)[C@H](OCc4ccccc4)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H13 compound treatment -0.0101 -0.00965 -0.39 -0.0356 -0.0358 -1.44 -1.2943 -0.8679 3012414 CMLD2_000764 C[C@H](O/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)c6cn(nn6)[C@H](CO)Cc7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H14 compound treatment -0.02 -0.0196 -0.8 -6.0E-4 -7.86E-4 -0.03 -0.5853 -0.7346 3132275 CMLD2_000765 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/OC[C@@H](O)COCc2ccco2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H15 compound treatment -0.0021 -0.00165 -0.07 -0.0136 -0.0138 -0.55 -0.439 -0.7868 3012415 CMLD2_000766 CCc1cc2CN(CC/C(=N/OC[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H16 compound treatment 0.0029 0.00335 0.14 0.0034 0.00321 0.13 0.1871 0.9996 3132276 CMLD2_000767 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H17 compound treatment 0.0029 0.00335 0.14 0.0084 0.00821 0.33 0.3291 0.9232 3132277 CMLD2_000768 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/[C@@H](OC)[C@H](C)\C=C\CC(=O)OC)C=C[C@@H]1Oc2ccc(OC)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H18 compound treatment -0.007 -0.00663 -0.27 -0.0076 -0.00779 -0.31 -0.4114 -0.9972 3012416 CMLD2_000769 CCCNC(=O)OC[C@H]1O[C@H](CCON=C(C)C)C=C[C@@H]1Oc2ccc(OC)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H19 mock treatment -0.014 -0.0136 -0.55 -0.0156 -0.0158 -0.64 -0.8405 -0.9976 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H20 mock treatment -1.0E-4 3.49E-4 0.01 -0.0046 -0.00479 -0.19 -0.126 -0.6533 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H21 compound treatment -0.0031 -0.00265 -0.11 -0.0036 -0.00379 -0.15 -0.1837 -0.9854 3132278 CMLD2_000770 C[C@@H]1CC[C@@H]2N(C[C@H](COc3ccc(cc3)C(C)(C)C)OC2=O)[C@@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H22 compound treatment -0.008 -0.00765 -0.31 -0.0066 -0.00679 -0.27 -0.4123 -0.9979 3012418 CMLD2_000771 CO[C@H]1[C@H](C)/C(=C\CCOCC#CC)/c2ccccc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H23 mock treatment -0.004 -0.00363 -0.15 0.0024 0.00224 0.09 -0.0406 -0.2354 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 H24 mock treatment 0.008 0.00835 0.34 0.0064 0.00621 0.25 0.4157 0.9886 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I01 compound treatment -0.0101 -0.00965 -0.39 0.0014 0.00121 0.05 -0.2425 -0.6149 3132279 CMLD2_000772 CO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](COC(=O)CCC[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I02 compound treatment -0.0111 -0.0107 -0.43 -0.0046 -0.00479 -0.19 -0.4414 -0.9336 3012419 CMLD2_000773 C[C@@H]/1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C\C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I03 compound treatment -0.011 -0.0106 -0.43 -0.0066 -0.00676 -0.27 -0.4966 -0.9753 3132280 CMLD2_000774 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C(\C)/CCC(=O)OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(OC)cc4)c5ccccc5)c6ccccc6)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I04 compound treatment -0.0131 -0.0127 -0.51 -0.0136 -0.0138 -0.55 -0.7545 -0.9993 3132281 CMLD2_000775 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4)C=C[C@@H]1Oc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I05 mock treatment -0.007 -0.00662 -0.27 -0.0056 -0.00579 -0.23 -0.3544 -0.9975 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I06 mock treatment -0.027 -0.0266 -1.08 -0.0056 -0.00579 -0.23 -0.9282 -0.8402 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I07 compound treatment -0.003 -0.0026 -0.11 -0.0066 -0.00676 -0.27 -0.2666 -0.9151 3012420 CMLD2_000776 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I08 compound treatment 0.006 0.00637 0.26 -6.0E-4 -7.93E-4 -0.03 0.1601 0.6152 3132282 CMLD2_000777 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@H]3C=C[C@@H](CC=C)O[C@@H]3CO)cc2)c4ccc(C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I09 compound treatment 0.012 0.0124 0.5 0.0194 0.0192 0.77 0.899 0.9785 3012421 CMLD2_000778 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC(C)CN2CCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I10 compound treatment 0.009 0.00937 0.38 0.0074 0.00717 0.29 0.4722 0.9906 3132283 CMLD2_000779 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OCC[C@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C4)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I11 compound treatment -0.017 -0.0166 -0.67 -0.0166 -0.0168 -0.67 -0.9526 -1.0 3012422 CMLD2_000780 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@H]4O[C@@H](C=C[C@@H]4Oc5ccc(OC)cc5)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I12 compound treatment -0.001 -6.01E-4 -0.02 -0.0016 -0.00176 -0.07 -0.0673 -0.8986 3012473 CMLD2_000781 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I13 compound treatment -0.006 -0.0056 -0.23 -0.0046 -0.0048 -0.19 -0.297 -0.9967 3132284 CMLD2_000782 C[C@H](O/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)c6cc(no6)c7c(C)cc(C)cc7C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I14 compound treatment -0.0121 -0.0117 -0.47 -0.0056 -0.00579 -0.23 -0.4985 -0.9467 3012475 CMLD2_000783 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@H](C)c2cn(nn2)[C@@H]3COC[C@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I15 compound treatment -0.014 -0.0136 -0.55 -0.0316 -0.0318 -1.28 -1.2946 -0.9296 3132285 CMLD2_000784 CCc1cc2CN(CC/C(=N/O[C@H]3C=C[C@@H](CC=C)O[C@@H]3CO)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I16 compound treatment 0.008 0.00838 0.34 0.0064 0.00624 0.25 0.4174 0.9887 3012476 CMLD2_000785 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C(\C)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I17 compound treatment 0.007 0.0074 0.3 0.0124 0.0122 0.49 0.5585 0.9723 3132408 CMLD2_000786 CO[C@H](/C=N/OCC[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I18 compound treatment -0.006 -0.00562 -0.23 0.0054 0.0052 0.21 -0.0136 -0.044 3012477 CMLD2_000787 CC(=NOCC[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I19 compound treatment -0.027 -0.0266 -1.08 -0.0116 -0.0118 -0.47 -1.0985 -0.9316 3132409 CMLD2_000788 CO/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I20 mock treatment 0.0029 0.00335 0.14 0.0014 0.00117 0.05 0.1292 0.899 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I21 mock treatment 0.015 0.0154 0.62 0.0074 0.00721 0.29 0.6454 0.9392 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I22 mock treatment 0.001 0.00135 0.05 -0.0046 -0.00479 -0.19 -0.0974 -0.4867 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I23 mock treatment 0.006 0.00635 0.26 0.0154 0.0152 0.61 0.6128 0.9266 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 I24 mock treatment -0.006 -0.00562 -0.23 -0.0056 -0.00576 -0.23 -0.3248 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J01 compound treatment -0.025 -0.0246 -1.0 -0.0236 -0.0238 -0.96 -1.383 -0.9998 3132410 CMLD2_000789 CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](OC)[C@H](C)COC(=O)CCC[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J02 compound treatment -0.034 -0.0336 -1.36 -0.0346 -0.0348 -1.4 -1.9518 -0.9999 3012478 CMLD2_000790 CO[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J03 compound treatment -0.021 -0.0206 -0.84 -0.0186 -0.0188 -0.76 -1.1264 -0.9987 3132411 CMLD2_000791 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(OC)cc3)c4ccccc4)C=C[C@@H]1Oc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J04 compound treatment -0.016 -0.0156 -0.63 -0.0136 -0.0138 -0.55 -0.8399 -0.9977 3132412 CMLD2_000792 CC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J05 mock treatment -0.0101 -0.00965 -0.39 -0.0086 -0.00879 -0.35 -0.5264 -0.9987 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J06 mock treatment -0.017 -0.0166 -0.67 -0.0096 -0.00983 -0.39 -0.7561 -0.9675 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J07 compound treatment -0.0101 -0.00965 -0.39 -0.0146 -0.0148 -0.59 -0.6968 -0.9795 3012479 CMLD2_000793 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J08 compound treatment 0.0029 0.00335 0.14 0.0014 0.00121 0.05 0.1304 0.9038 3012480 CMLD2_000794 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC[C@@H](O)COCc3ccco3)cc2)c4ccc(C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J09 compound treatment -0.004 -0.00365 -0.15 -0.0046 -0.00479 -0.19 -0.2408 -0.9916 3132413 CMLD2_000795 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J10 compound treatment -0.007 -0.0066 -0.27 -0.0176 -0.0178 -0.71 -0.6948 -0.9101 3132414 CMLD2_000796 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC(C)CN4CCCCc5nc(C)c(C)cc45)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J11 compound treatment -0.006 -0.00563 -0.23 -0.0076 -0.00783 -0.31 -0.3839 -0.9876 3132415 CMLD2_000797 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/2\C[C@@H](O)[C@@H](O)[C@@H]3[C@H]4[C@@H](CC[C@H]32)C(=O)N(CC)C4=O)C=C[C@@H]1Oc5ccc(OC)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J12 compound treatment -0.011 -0.0106 -0.43 -0.0106 -0.0108 -0.44 -0.6125 -1.0 3012481 CMLD2_000798 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/O[C@H](C)c4cn(nn4)[C@H](CO)Cc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J13 compound treatment -0.032 -0.0316 -1.28 -0.0306 -0.0308 -1.24 -1.7826 -0.9998 3132416 CMLD2_000799 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J14 compound treatment -0.019 -0.0186 -0.76 -0.0156 -0.0158 -0.64 -0.9838 -0.9963 3012482 CMLD2_000800 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J15 compound treatment -0.0021 -0.00165 -0.07 -0.0026 -0.00279 -0.11 -0.1265 -0.9697 3132417 CMLD2_000801 CCc1cc2CN(CC/C(=N/OC[C@@H](O)COCc3ccco3)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J16 compound treatment -0.017 -0.0166 -0.67 -0.0146 -0.0148 -0.59 -0.897 -0.998 3012484 CMLD2_000802 C/C(=N\OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)/CCN3CCc4nc(c5ccccc5)c(cc4C3)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J17 compound treatment 0.0029 0.00335 0.14 0.0054 0.00521 0.21 0.244 0.9781 3132418 CMLD2_000803 CO[C@H](/C=N/OC(C)CN1CCCCc2nc(C)c(C)cc12)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J18 compound treatment -1.0E-4 3.49E-4 0.01 -0.0086 -0.00883 -0.35 -0.2408 -0.6783 3012486 CMLD2_000804 CC(CN1CCCCc2nc(C)c(C)cc12)ON=C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J19 compound treatment -0.022 -0.0216 -0.88 -0.0156 -0.0158 -0.64 -1.0698 -0.9875 3132419 CMLD2_000805 CO/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J20 mock treatment 0.0069 0.00735 0.3 0.0084 0.00821 0.33 0.4438 0.9987 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J21 mock treatment 0.01 0.0103 0.42 0.0074 0.00721 0.29 0.5014 0.9835 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J22 mock treatment 0.004 0.00435 0.18 0.0014 0.0012 0.05 0.1587 0.8681 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J23 mock treatment -0.005 -0.0046 -0.19 0.0014 0.00124 0.05 -0.0968 -0.5014 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 J24 mock treatment 0.01 0.0103 0.42 0.0104 0.0102 0.41 0.5855 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K01 compound treatment -0.01 -0.00962 -0.39 -0.0056 -0.00576 -0.23 -0.4395 -0.9689 3132420 CMLD2_000806 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K02 compound treatment -0.019 -0.0186 -0.76 -0.0136 -0.0138 -0.55 -0.9259 -0.9884 3012487 CMLD2_000807 C[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H](Cc3ccccc3)NC1=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K03 compound treatment -0.0101 -0.00965 -0.39 -0.0126 -0.0128 -0.51 -0.64 -0.991 3132421 CMLD2_000808 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OCC[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3)/C)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K04 compound treatment -0.0111 -0.0107 -0.43 -0.0126 -0.0128 -0.51 -0.6687 -0.9963 3132422 CMLD2_000809 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C(\C)/CCC(=O)OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(C)cc4)C#Cc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K05 compound treatment -0.007 -0.00665 -0.27 -0.0136 -0.0138 -0.55 -0.5824 -0.9453 3012488 CMLD2_000810 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C/C[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K06 compound treatment -0.012 -0.0116 -0.47 -0.0206 -0.0208 -0.83 -0.9229 -0.9635 3132423 CMLD2_000811 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K07 mock treatment -0.041 -0.0406 -1.65 -0.0466 -0.0468 -1.88 -2.495 -0.9978 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K08 mock treatment -0.008 -0.00765 -0.31 -0.0096 -0.00979 -0.39 -0.4975 -0.9931 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K09 compound treatment -0.007 -0.00662 -0.27 -0.0066 -0.00679 -0.27 -0.3828 -1.0 3132424 CMLD2_000812 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@H]2C=C[C@@H](CC=C)O[C@@H]2CO 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K10 compound treatment 0.0159 0.0163 0.66 0.0174 0.0172 0.69 0.9563 0.9998 3011824 CMLD2_000813 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC(C)CN4CCCc5nc(C)c(C)cc45)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K11 compound treatment -0.011 -0.0106 -0.43 -0.0126 -0.0128 -0.51 -0.6664 -0.9962 3132425 CMLD2_000814 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OCC[C@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K12 compound treatment -0.004 -0.0036 -0.15 -0.0056 -0.0058 -0.23 -0.2681 -0.9746 3132426 CMLD2_000815 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C/3\[C@H]4O[C@H]4[C@@H](O)[C@H]5[C@@H]3CCn6n5c(=O)n(c7ccccc7)c6=O)c8ccccc8)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K13 compound treatment -0.024 -0.0236 -0.96 -0.0266 -0.0268 -1.08 -1.4379 -0.9983 3011825 CMLD2_000816 CC(=O)OC[C@H]1O[C@@H](O/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K14 compound treatment -0.007 -0.00662 -0.27 -0.0066 -0.00676 -0.27 -0.3819 -1.0 3132547 CMLD2_000817 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@@H](C)c2cc(no2)c3c(C)cc(C)cc3C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K15 mock treatment -0.016 -0.0156 -0.63 -0.0166 -0.0168 -0.67 -0.924 -0.9995 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K16 mock treatment 0.006 0.00637 0.26 0.0034 0.00317 0.13 0.2726 0.9467 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K17 compound treatment -0.013 -0.0126 -0.51 -0.0146 -0.0148 -0.59 -0.7812 -0.9973 3011826 CMLD2_000818 CO[C@H](/C=N/OC(C)CN1CCCc2nc(C)c(C)cc12)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K18 compound treatment 0.017 0.0174 0.7 0.0104 0.0102 0.41 0.7868 0.9664 3132548 CMLD2_000819 CC(CN1CCCc2nc(C)c(C)cc12)ON=C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K19 compound treatment -0.0131 -0.0127 -0.51 0.0014 0.0012 0.05 -0.3288 -0.6381 3011827 CMLD2_000820 CO/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K20 compound treatment -1.0E-4 3.48E-4 0.01 -0.0216 -0.0218 -0.87 -0.608 -0.6956 3131977 CMLD2_000821 COC(=O)C1=C2N(Cc3ccccc3)C(=C([C@H](N2C(=O)[C@@](O)(C1)C(=O)OC)c4ccccc4)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K21 compound treatment 0.006 0.00635 0.26 0.0024 0.00221 0.09 0.2447 0.8987 3132549 CMLD2_000822 C[C@@H]1CC[C@@H]2N(C[C@H](Cc3ccccc3)OC2=O)[C@H]1c4ccc(Br)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K22 compound treatment 0.008 0.00835 0.34 -0.0016 -0.00179 -0.07 0.1885 0.5445 3132550 CMLD2_000823 CCO[C@@H]([C@H](C)[C@@H](OC)[C@H](C)/C=C/CC(=O)OC)c1cc(OC)cc([N+](=O)[O-])c1OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K23 mock treatment 0.005 0.00535 0.22 0.0074 0.00721 0.29 0.358 0.9899 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 K24 mock treatment 0.0019 0.00235 0.1 -6.0E-4 -7.93E-4 -0.03 0.0448 0.4463 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L01 compound treatment -0.029 -0.0286 -1.16 -0.0266 -0.0268 -1.08 -1.583 -0.9993 3011828 CMLD2_000824 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L02 compound treatment -0.005 -0.00465 -0.19 -0.0036 -0.00379 -0.15 -0.2411 -0.9944 3132551 CMLD2_000825 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H](COCc3ccccc3)NC(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L03 compound treatment -1.0E-4 3.49E-4 0.01 4.0E-4 2.07E-4 0.01 0.0159 0.9675 3011829 CMLD2_000826 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC(C)CN3CCCCc4nc(C)c(C)cc34)/C)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L04 compound treatment 0.01 0.0104 0.42 0.0104 0.0102 0.41 0.5885 0.9999 3132552 CMLD2_000827 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C(\C)/CCC(=O)OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(C)cc4)C#Cc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L05 compound treatment 0.004 0.00435 0.18 0.0014 0.00121 0.05 0.159 0.8692 3132553 CMLD2_000828 CC(CN1CCCc2nc(C)c(C)cc12)O/N=C/C[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L06 compound treatment -0.013 -0.0126 -0.51 -0.0026 -0.00276 -0.11 -0.4407 -0.8408 3011830 CMLD2_000829 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L07 mock treatment -0.0071 -0.00665 -0.27 -0.0066 -0.00679 -0.27 -0.3837 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L08 mock treatment -0.014 -0.0136 -0.55 -0.0106 -0.0108 -0.43 -0.6962 -0.9926 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L09 compound treatment 0.011 0.0114 0.46 0.0044 0.00417 0.17 0.4443 0.9059 3132554 CMLD2_000830 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\OC[C@@H](O)COCc2ccco2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L10 compound treatment 0.004 0.0044 0.18 0.0124 0.0122 0.49 0.4736 0.906 3011831 CMLD2_000831 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC[C@@H](O)[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L11 compound treatment 0.0039 0.00435 0.18 0.0064 0.00621 0.25 0.3009 0.9856 3132555 CMLD2_000832 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC(C)CN4CCCCc5nc(C)c(C)cc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L12 compound treatment 0.004 0.00435 0.18 -0.0036 -0.00379 -0.15 0.017 0.0729 3132556 CMLD2_000833 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O)C=C[C@@H]1Oc7ccc(OC)cc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L13 compound treatment -0.009 -0.00862 -0.35 -0.0076 -0.00779 -0.31 -0.4685 -0.9985 3011832 CMLD2_000834 C[C@@H](O/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O)c6cn(nn6)[C@H](CO)Cc7ccccc7 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L14 compound treatment -0.007 -0.00665 -0.27 -6.0E-4 -7.86E-4 -0.03 -0.213 -0.7846 3132557 CMLD2_000835 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C/[C@@H](C)[C@H](OCc2ccccc2)C(C)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L15 mock treatment -0.004 -0.00365 -0.15 -0.0036 -0.00379 -0.15 -0.2124 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L16 mock treatment 0.001 0.00135 0.05 0.0044 0.00421 0.17 0.1581 0.8906 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L17 compound treatment 0.012 0.0124 0.5 0.0144 0.0142 0.57 0.757 0.998 3132558 CMLD2_000836 CO[C@H](/C=N/OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L18 compound treatment 0.014 0.0144 0.58 0.0124 0.0122 0.49 0.7587 0.9963 3011833 CMLD2_000837 CC(=NOC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L19 compound treatment 0.005 0.00535 0.22 0.0104 0.0102 0.41 0.4421 0.9562 3011834 CMLD2_000838 CO/N=C/c1ccc(cc1)C(=O)N2[C@@H](CC[C@H](C)[C@H]2c3ccc(C)cc3)C(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L20 compound treatment -0.025 -0.0246 -1.0 -0.0246 -0.0248 -0.99 -1.4092 -1.0 3132559 CMLD2_000839 CCC(=O)[C@]1(O)[C@H]2CCOC(=O)C2=C3N(Cc4ccccc4)C(=C([C@H](N3C1=O)c5ccccc5)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L21 compound treatment -0.001 -6.51E-4 -0.03 -0.0046 -0.0048 -0.19 -0.1551 -0.7964 3132529 CMLD2_000840 CCCC[C@@H]1CN2[C@@H]([C@@H](C)CC[C@H]2C(=O)O1)c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L22 compound treatment 0.015 0.0153 0.62 0.0114 0.0112 0.45 0.7584 0.9873 3011835 CMLD2_000841 CO[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)C)[C@@H](C)[C@H](OC)c1ccccc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L23 mock treatment 0.021 0.0214 0.87 0.0184 0.0182 0.73 1.1287 0.9963 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 L24 mock treatment 0.023 0.0234 0.95 0.0234 0.0232 0.93 1.328 1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M01 compound treatment -0.005 -0.0046 -0.19 -0.0036 -0.0038 -0.15 -0.2399 -0.9951 3132560 CMLD2_000842 CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H]2O[C@H](COC(=O)CCC[C@H]1C)[C@@H](O)C=C2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M02 compound treatment 0.009 0.0094 0.38 0.0074 0.0072 0.29 0.4739 0.9907 3011836 CMLD2_000843 C[C@H]/1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)C\C=C1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M03 compound treatment 0.0 3.49E-4 0.01 -0.0056 -0.00576 -0.23 -0.1537 -0.6626 3132561 CMLD2_000844 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC(C)CN3CCCc4nc(C)c(C)cc34)/C)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M04 compound treatment 0.004 0.0044 0.18 -6.0E-4 -8.03E-4 -0.03 0.1033 0.57 3132562 CMLD2_000845 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M05 compound treatment 0.006 0.0064 0.26 4.0E-4 1.97E-4 0.01 0.1891 0.7283 3011870 CMLD2_000846 CC(=O)OC[C@H]1O[C@H](C/C=N/OC[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M06 compound treatment -0.001 -6.01E-4 -0.02 -0.0066 -0.0068 -0.27 -0.2104 -0.7671 3132563 CMLD2_000847 C[C@@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@@H]4COC[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M07 compound treatment 0.003 0.0034 0.14 -0.0036 -0.0038 -0.15 -0.0105 -0.0512 3011871 CMLD2_000848 C[C@@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@@H]4COC[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M08 compound treatment 0.004 0.0044 0.18 -0.0026 -0.0028 -0.11 0.0465 0.2206 3132564 CMLD2_000849 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@H](C)c3cn(nn3)[C@@H]4COC[C@H]4O)cc2)c5ccc(C)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M09 mock treatment 0.003 0.0034 0.14 4.0E-4 1.97E-4 0.01 0.1031 0.7464 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M10 mock treatment 0.009 0.00937 0.38 -6.0E-4 -7.93E-4 -0.03 0.2461 0.6455 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M11 compound treatment 0.018 0.0184 0.75 0.0164 0.0162 0.65 0.9875 0.9977 3011872 CMLD2_000850 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC(C)CN4CCCc5nc(C)c(C)cc45 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M12 compound treatment 0.001 0.0014 0.06 0.0104 0.0102 0.41 0.3297 0.7975 3132565 CMLD2_000851 CC(=O)OC[C@H]1O[C@H](CCO/N=C/2\[C@H]3O[C@H]3[C@@H](O)[C@H]4[C@@H]2CCn5n4c(=O)n(c6ccccc6)c5=O)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M13 mock treatment -0.042 -0.0416 -1.69 -0.0106 -0.0108 -0.43 -1.4997 -0.8609 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M14 mock treatment 0.003 0.0034 0.14 0.0024 0.0022 0.09 0.1599 0.9767 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M15 compound treatment -0.004 -0.0036 -0.15 0.0034 0.0032 0.13 -0.0125 -0.0642 3132566 CMLD2_000852 CCc1cc2CN(CC/C(=N/O[C@H](C)c3cn(nn3)[C@@H]4COC[C@H]4O)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M16 compound treatment -0.003 -0.0026 -0.11 -0.0016 -0.0018 -0.07 -0.1258 -0.9832 3011873 CMLD2_000853 C/C(=N\O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M17 compound treatment 0.003 0.0034 0.14 0.0044 0.0042 0.17 0.2166 0.995 3130490 CMLD2_000854 CO[C@H](/C=N/O[C@H]1C=C[C@@H](CC=C)O[C@@H]1CO)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M18 compound treatment 0.014 0.0144 0.58 0.0044 0.0042 0.17 0.5321 0.8755 3011875 CMLD2_000855 CC(=NOC1C=C[C@@H](CC=C)O[C@@H]1CO)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M19 compound treatment 0.0 3.99E-4 0.02 0.0084 0.0082 0.33 0.2442 0.741 3130491 CMLD2_000856 CO/N=C/[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)\C=C\CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M20 compound treatment -0.0071 -0.00665 -0.27 -6.0E-4 -8.03E-4 -0.03 -0.2136 -0.7861 3132404 CMLD2_000857 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C([C@H](c4ccccc4)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5)C(=O)c6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M21 compound treatment 0.011 0.0114 0.46 0.0094 0.00917 0.37 0.5863 0.9938 3011876 CMLD2_000858 C[C@H]1CC[C@@H]2N(C[C@@H](CO)OC2=O)[C@@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M22 compound treatment -0.102 -0.102 -4.12 0.0114 0.0112 0.45 -2.5963 -0.6264 3130492 CMLD2_000859 CO[C@@H]([C@H](C)/C=C/CC(=O)OC)c1ccccc1Br 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M23 mock treatment 0.006 0.00635 0.26 0.0064 0.00617 0.25 0.3572 0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 M24 mock treatment -0.002 -0.00162 -0.07 0.0024 0.00217 0.09 0.015 0.138 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N01 compound treatment -0.03 -0.0296 -1.2 -0.0296 -0.0298 -1.2 -1.6969 -1.0 3130493 CMLD2_000860 CO[C@H]1COC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)CCC[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N02 compound treatment -0.038 -0.0376 -1.53 -0.0396 -0.0398 -1.6 -2.2102 -0.9997 3011877 CMLD2_000861 CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N03 compound treatment -0.02 -0.0196 -0.8 -0.0206 -0.0208 -0.84 -1.1545 -0.9997 3130494 CMLD2_000862 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)/C)c5ccccc5)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N04 compound treatment -0.036 -0.0356 -1.44 -0.0396 -0.0398 -1.6 -2.152 -0.9987 3130495 CMLD2_000863 C/C(=N\OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)/CCC(=O)OC[C@H]3O[C@@H](C=C[C@@H]3Oc4ccc(C)cc4)C#Cc5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N05 compound treatment -0.011 -0.0106 -0.43 -0.0186 -0.0188 -0.76 -0.8397 -0.9645 3011878 CMLD2_000864 CC(=O)OC[C@H]1O[C@H](C/C=N/O[C@H]2C=C[C@@H](CC=C)O[C@@H]2CO)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N06 compound treatment -0.025 -0.0246 -1.0 -0.0296 -0.0298 -1.2 -1.5535 -0.9959 3130496 CMLD2_000865 C[C@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N07 compound treatment -0.02 -0.0196 -0.8 -0.0186 -0.0188 -0.76 -1.0977 -0.9997 3011879 CMLD2_000866 C[C@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cn(nn3)[C@H](CO)Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N08 compound treatment -0.024 -0.0236 -0.96 -0.0256 -0.0258 -1.04 -1.4112 -0.9992 3130497 CMLD2_000867 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)cc2)c5ccc(C)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N09 mock treatment -0.033 -0.0326 -1.32 -0.0346 -0.0348 -1.4 -1.9248 -0.9996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N10 mock treatment -1.0E-4 3.49E-4 0.01 -0.0046 -0.00479 -0.19 -0.1261 -0.6533 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N11 compound treatment -0.016 -0.0156 -0.63 -0.0156 -0.0158 -0.64 -0.8978 -1.0 3011881 CMLD2_000868 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC[C@@H](O)[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N12 compound treatment -0.0101 -0.00965 -0.39 -0.0076 -0.00779 -0.31 -0.4979 -0.9938 3130498 CMLD2_000869 CC(CN1CCCCc2nc(C)c(C)cc12)O/N=C/3\[C@H]4O[C@H]4[C@@H](O)[C@H]5[C@@H]3CCn6n5c(=O)n(c7ccccc7)c6=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N13 mock treatment -0.0081 -0.00765 -0.31 -0.0086 -0.00879 -0.35 -0.4691 -0.9979 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N14 mock treatment 0.0 3.49E-4 0.01 -0.0106 -0.0108 -0.43 -0.2965 -0.6836 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N15 compound treatment -0.026 -0.0256 -1.04 -0.0196 -0.0198 -0.8 -1.2965 -0.9913 3130499 CMLD2_000870 CCc1cc2CN(CC/C(=N/O[C@@H](C)c3cn(nn3)[C@H](CO)Cc4ccccc4)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N16 compound treatment -0.02 -0.0196 -0.8 -0.0056 -0.00579 -0.23 -0.7273 -0.877 3011882 CMLD2_000871 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCN2CCc3nc(c4ccccc4)c(cc3C2)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N17 compound treatment -0.0111 -0.0107 -0.43 -0.0076 -0.00779 -0.31 -0.5267 -0.9875 3130500 CMLD2_000872 CO[C@H](/C=N/OC[C@@H](O)COCc1ccco1)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N18 compound treatment 0.0029 0.00335 0.14 4.0E-4 2.07E-4 0.01 0.1019 0.7489 3011884 CMLD2_000873 CC(=NOC[C@@H](O)COCc1ccco1)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N19 compound treatment -0.006 -0.00563 -0.23 -0.0106 -0.0108 -0.44 -0.4691 -0.9547 3130501 CMLD2_000874 CO/N=C\1/[C@H](O)[C@H](Oc2ccc(OC)cc12)c3cccc(OC)c3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N20 compound treatment -0.009 -0.00863 -0.35 -0.0056 -0.00579 -0.23 -0.412 -0.9803 3131849 CMLD2_000875 COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23O[C@]1(C(=O)OC)C(=O)N3[C@@H](C(=C(C)N2Cc4ccccc4)C(=O)OC)c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N21 compound treatment 0.012 0.0124 0.5 0.0114 0.0112 0.45 0.6718 0.9984 3011885 CMLD2_000876 C[C@@H]1CC[C@@H]2N(C[C@H](COC(=O)C(=C)C)OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N22 compound treatment -0.013 -0.0126 -0.51 -0.0046 -0.00479 -0.19 -0.4983 -0.9106 3130502 CMLD2_000877 CO[C@@H]([C@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)/C=C/CC(=O)OC)C2CCCCC2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N23 mock treatment 0.004 0.00435 0.18 0.0034 0.00321 0.13 0.2159 0.9882 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 N24 mock treatment 0.0029 0.00335 0.14 0.0044 0.00421 0.17 0.2156 0.9941 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O01 compound treatment -0.021 -0.0206 -0.84 -0.0156 -0.0158 -0.63 -1.0398 -0.9907 3011886 CMLD2_000878 CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)CCC[C@@H]1C)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O02 compound treatment 0.0 3.99E-4 0.02 -6.0E-4 -8.03E-4 -0.03 -0.0114 -0.3148 3130503 CMLD2_000879 CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O03 compound treatment -0.009 -0.0086 -0.35 -0.0116 -0.0118 -0.47 -0.5818 -0.9886 3130504 CMLD2_000880 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/O[C@H]3C=C[C@@H](CC=C)O[C@@H]3CO)/C)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O04 compound treatment -0.021 -0.0206 -0.84 -0.0226 -0.0228 -0.92 -1.2383 -0.9989 3130505 CMLD2_000881 C/C(=N\OC[C@@H](O)COCc1ccco1)/CCC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2Oc3ccc(C)cc3)C#Cc4ccccc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O05 compound treatment -0.011 -0.0106 -0.43 -0.0086 -0.0088 -0.35 -0.554 -0.9953 3130506 CMLD2_000882 CC(=O)OC[C@H]1O[C@H](C/C=N/OC[C@@H](O)COCc2ccco2)C=C[C@@H]1OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O06 compound treatment -0.008 -0.0076 -0.31 -0.0106 -0.0108 -0.43 -0.5247 -0.986 3011921 CMLD2_000883 C[C@H](O/N=C(\C)/CCN1CCCCc2nc(C)c(C)cc12)c3cc(no3)c4c(C)cc(C)cc4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O07 compound treatment -0.01 -0.00962 -0.39 -0.0196 -0.0198 -0.79 -0.837 -0.9466 3130507 CMLD2_000884 C[C@H](O/N=C(\C)/CCN1CCCc2nc(C)c(C)cc12)c3cc(no3)c4c(C)cc(C)cc4C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O08 compound treatment 0.009 0.0094 0.38 0.0084 0.0082 0.33 0.5023 0.9973 3130508 CMLD2_000885 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/O[C@@H](C)c3cc(no3)c4c(C)cc(C)cc4C)cc2)c5ccc(C)cc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O09 compound treatment -0.015 -0.0146 -0.59 -0.0116 -0.0118 -0.47 -0.7533 -0.9937 3011922 CMLD2_000886 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@H](C)c2cn(nn2)[C@@H]3COC[C@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O10 compound treatment -0.016 -0.0156 -0.63 -0.0096 -0.00979 -0.39 -0.7259 -0.9737 3130509 CMLD2_000887 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\O[C@H]4C=C[C@@H](CC=C)O[C@@H]4CO)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O11 mock treatment -0.004 -0.00362 -0.15 -0.0096 -0.00976 -0.39 -0.3811 -0.9102 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O12 mock treatment -0.005 -0.00465 -0.19 -0.0016 -0.00179 -0.07 -0.1843 -0.9128 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O13 compound treatment -0.017 -0.0166 -0.67 -0.0146 -0.0148 -0.59 -0.8958 -0.998 3011925 CMLD2_000888 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO/N=C/[C@@H](C)[C@H](OCc3ccccc3)C(C)C)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O14 compound treatment -0.005 -0.00462 -0.19 -0.0046 -0.0048 -0.19 -0.2689 -0.9999 3130636 CMLD2_000889 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O15 compound treatment -0.003 -0.0026 -0.11 0.0014 0.0012 0.05 -0.0406 -0.3503 3011927 CMLD2_000890 CCc1cc2CN(CC/C(=N/O[C@@H](C)c3cc(no3)c4c(C)cc(C)cc4C)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O16 compound treatment -0.002 -0.0016 -0.06 0.0014 0.0012 0.05 -0.0119 -0.1476 3130637 CMLD2_000891 C[C@@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@@H]6COC[C@H]6O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O17 compound treatment -0.004 -0.0036 -0.15 -0.0066 -0.00676 -0.27 -0.2953 -0.9576 3130638 CMLD2_000892 CO[C@H](/C=N/O[C@H](C)c1cn(nn1)[C@@H]2COC[C@H]2O)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O18 compound treatment 0.001 0.0014 0.06 0.0014 0.0012 0.05 0.0741 0.9966 3011928 CMLD2_000893 C[C@@H](ON=C(C)C)c1cn(nn1)[C@@H]2COC[C@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O19 compound treatment -0.007 -0.00662 -0.27 -0.0136 -0.0138 -0.55 -0.5807 -0.945 3130639 CMLD2_000894 CCN1C(=O)[C@@H]2CC[C@@H]/3[C@@H]([C@@H]2C1=O)[C@H](O)[C@H](O)C\C3=N/OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O20 compound treatment -0.028 -0.0276 -1.12 -0.0166 -0.0168 -0.67 -1.2675 -0.9704 3011929 CMLD2_000895 CCN1C(=C([C@H](N2C(=O)[C@@](O)(CC(=C12)C(=O)C)C(=O)OC)c3ccccc3)C(=O)OC)C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O21 compound treatment 0.0029 0.00335 0.14 0.0034 0.00321 0.13 0.1871 0.9996 3130640 CMLD2_000896 C[C@@H]1CC[C@@H]2N(C[C@@H](COC(=O)C(=C)C)OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O22 mock treatment 0.016 0.0164 0.66 0.0084 0.00821 0.33 0.7025 0.9478 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O23 mock treatment 0.02 0.0204 0.83 0.0224 0.0222 0.89 1.2136 0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 O24 mock treatment -0.004 -0.00365 -0.15 0.0014 0.00121 0.05 -0.0704 -0.4521 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P01 compound treatment -0.056 -0.0556 -2.25 -0.0486 -0.0488 -1.96 -2.9803 -0.9976 3011930 CMLD2_000897 CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@H](COC(=O)C/C=C/[C@@H]1C)NS(=O)(=O)c2ccc(C)cc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P02 compound treatment -0.027 -0.0266 -1.08 -0.0246 -0.0248 -1.0 -1.4688 -0.9992 3130641 CMLD2_000898 CO[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)COC(=O)CCC[C@H]1C 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P03 compound treatment -0.042 -0.0416 -1.69 -0.0406 -0.0408 -1.64 -2.3516 -0.9999 3130642 CMLD2_000899 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2COC(=O)CC/C(=N/OC[C@@H](O)COCc3ccco3)/C)c4ccccc4)cc1 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P04 compound treatment -0.034 -0.0336 -1.36 -0.0406 -0.0408 -1.64 -2.1239 -0.9958 3130643 CMLD2_000900 C[C@@H](O/N=C(\C)/CCC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C)cc2)C#Cc3ccccc3)c4cn(nn4)[C@@H]5COC[C@H]5O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P05 compound treatment -0.026 -0.0256 -1.04 -0.0316 -0.0318 -1.28 -1.6372 -0.9947 3011932 CMLD2_000901 C[C@@H](O/N=C/C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1)c2cn(nn2)[C@@H]3COC[C@H]3O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P06 compound treatment -0.023 -0.0226 -0.92 -0.0286 -0.0288 -1.16 -1.4649 -0.9934 3130644 CMLD2_000902 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P07 compound treatment -0.038 -0.0376 -1.53 -0.0346 -0.0348 -1.4 -2.0682 -0.9991 3011933 CMLD2_000903 CC(C)[C@@H](OCc1ccccc1)[C@H](C)CO/N=C(\C)/CCN2CCCc3nc(C)c(C)cc23 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P08 compound treatment -0.015 -0.0146 -0.59 -0.0156 -0.0158 -0.64 -0.8692 -0.9994 3130645 CMLD2_000904 COC(=O)[C@@H]1CC[C@H](C)[C@H](N1C(=O)c2ccc(/C=N/OC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)cc2)c4ccc(C)cc4 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P09 compound treatment -0.022 -0.0216 -0.88 -0.0186 -0.0188 -0.76 -1.1551 -0.9973 3011935 CMLD2_000905 COC(=O)C/C=C/[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)\C=N\O[C@@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P10 compound treatment -0.035 -0.0346 -1.4 -0.0206 -0.0208 -0.84 -1.5837 -0.9695 3130646 CMLD2_000906 COc1cccc(c1)[C@H]2Oc3ccc(OC)cc3/C(=N\OC[C@@H](O)COCc4ccco4)/[C@@H]2O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P11 mock treatment -0.033 -0.0326 -1.32 -0.0326 -0.0328 -1.32 -1.868 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P12 mock treatment -0.026 -0.0256 -1.04 -0.0246 -0.0248 -1.0 -1.4402 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P13 compound treatment -0.031 -0.0306 -1.24 -0.0316 -0.0318 -1.28 -1.7823 -0.9999 3130647 CMLD2_000907 CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/[C@@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1Oc3ccc(OC)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P14 compound treatment -0.015 -0.0146 -0.59 -0.0176 -0.0178 -0.72 -0.926 -0.9956 3011936 CMLD2_000908 CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N/O[C@H](C)c2cn(nn2)[C@H](CO)Cc3ccccc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P15 compound treatment -0.03 -0.0296 -1.2 -0.0286 -0.0288 -1.16 -1.6685 -0.9998 3130648 CMLD2_000909 CCc1cc2CN(CC/C(=N/OC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)/C)CCc2nc1CC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P16 compound treatment -0.036 -0.0356 -1.44 -0.0276 -0.0278 -1.12 -1.8121 -0.992 3130649 CMLD2_000910 C[C@H](O/N=C(\C)/CCN1CCc2nc(c3ccccc3)c(cc2C1)c4ccccc4)c5cn(nn5)[C@H](CO)Cc6ccccc6 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P17 compound treatment -0.018 -0.0176 -0.71 -0.0116 -0.0118 -0.48 -0.8415 -0.9803 3011937 CMLD2_000911 CO[C@H](/C=N/O[C@@H](C)c1cn(nn1)[C@H](CO)Cc2ccccc2)[C@H](C)/C=C/CC(=O)OC 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P18 compound treatment -0.03 -0.0296 -1.2 -0.0206 -0.0208 -0.84 -1.4413 -0.9843 3130650 CMLD2_000912 C[C@H](ON=C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P19 compound treatment -0.018 -0.0176 -0.71 -0.0166 -0.0168 -0.68 -0.9836 -0.9996 3011939 CMLD2_000913 CO/N=C/1\[C@H]2O[C@H]2[C@@H](O)[C@H]3[C@@H]1CCn4n3c(=O)n(c5ccccc5)c4=O 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P20 compound treatment -0.011 -0.0106 -0.43 -0.0106 -0.0108 -0.44 -0.6125 -1.0 3131985 CMLD2_000914 COC(=O)C1=C(C)N(Cc2ccccc2)C3=C4[C@H](C(=O)N(C)C4=O)[C@@](O)(C(=O)OC)C(=O)N3[C@@H]1c5ccccc5 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P21 compound treatment -0.012 -0.0116 -0.47 -0.0096 -0.00983 -0.39 -0.6128 -0.9961 3130651 CMLD2_000915 C[C@@H]1CC[C@@H]2N(C[C@H](COC=C)OC2=O)[C@H]1c3ccc(Br)cc3 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P22 mock treatment -0.013 -0.0126 -0.51 -0.0106 -0.0108 -0.44 -0.6698 -0.9967 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P23 mock treatment -0.034 -0.0336 -1.36 -0.0286 -0.0288 -1.16 -1.7832 -0.9967 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.2111 P24 mock treatment 0.013 0.0134 0.54 0.0174 0.0172 0.69 0.8709 0.9929 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A01 mock treatment -0.0638 -0.0644 -2.61 -0.0399 -0.0397 -1.59 -2.9738 -0.9718 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A02 mock treatment -0.0468 -0.0474 -1.92 -0.0319 -0.0317 -1.27 -2.2592 -0.9798 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A03 mock treatment -0.0648 -0.0654 -2.65 -0.0609 -0.0607 -2.44 -3.5988 -0.9991 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A04 mock treatment -0.0648 -0.0654 -2.65 -0.0678 -0.0677 -2.72 -3.7976 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A05 mock treatment -0.0388 -0.0394 -1.6 -0.0398 -0.0397 -1.59 -2.2569 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A06 mock treatment -0.0518 -0.0524 -2.13 -0.0529 -0.0527 -2.11 -2.9989 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A07 mock treatment -0.0588 -0.0594 -2.41 -0.0718 -0.0717 -2.88 -3.7392 -0.9961 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A08 mock treatment -0.0478 -0.0484 -1.96 -0.0498 -0.0497 -1.99 -2.799 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A09 mock treatment -0.0428 -0.0434 -1.76 -0.0329 -0.0327 -1.31 -2.1729 -0.9894 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A10 mock treatment -0.0438 -0.0444 -1.8 -0.0408 -0.0407 -1.63 -2.4287 -0.9988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A11 mock treatment -0.0468 -0.0474 -1.92 -0.0338 -0.0337 -1.35 -2.316 -0.9851 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A12 mock treatment -0.0418 -0.0424 -1.72 -0.0439 -0.0437 -1.75 -2.4564 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A13 mock treatment -0.0568 -0.0574 -2.33 -0.0559 -0.0557 -2.24 -3.2274 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A14 mock treatment -0.0538 -0.0544 -2.21 -0.0529 -0.0527 -2.11 -3.0562 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A15 mock treatment -0.0468 -0.0474 -1.92 -0.0549 -0.0547 -2.19 -2.9123 -0.9978 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A16 mock treatment -0.0428 -0.0434 -1.76 -0.0489 -0.0487 -1.95 -2.6273 -0.9987 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A17 mock treatment -0.0528 -0.0534 -2.17 -0.0568 -0.0567 -2.28 -3.1412 -0.9997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A18 mock treatment -0.0378 -0.0384 -1.56 -0.0539 -0.0537 -2.15 -2.6258 -0.9874 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A19 mock treatment -0.0398 -0.0404 -1.64 -0.0529 -0.0527 -2.11 -2.6548 -0.9921 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A20 mock treatment -0.0568 -0.0574 -2.33 -0.0629 -0.0627 -2.52 -3.4262 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A21 mock treatment -0.0448 -0.0454 -1.84 -0.0459 -0.0457 -1.83 -2.5994 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A22 mock treatment -0.0568 -0.0574 -2.33 -0.0578 -0.0577 -2.32 -3.2843 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A23 mock treatment -0.0458 -0.0464 -1.88 -0.0419 -0.0417 -1.67 -2.5159 -0.9983 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base A24 mock treatment -0.0668 -0.0674 -2.73 -0.0659 -0.0657 -2.64 -3.7982 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B01 mock treatment -0.0068 -0.00745 -0.3 -0.0059 -0.00565 -0.23 -0.3741 -0.99 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B02 mock treatment -0.0038 -0.00444 -0.18 -0.0039 -0.0037 -0.15 -0.2324 -0.9955 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B03 mock treatment 0.0122 0.0115 0.47 0.0131 0.0133 0.53 0.7088 0.9979 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B04 mock treatment -0.0048 -0.00544 -0.22 -0.0049 -0.00465 -0.19 -0.2881 -0.9966 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B05 mock treatment 0.0162 0.0156 0.63 0.0171 0.0173 0.69 0.9374 0.9988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B06 mock treatment 0.0042 0.00356 0.14 0.0021 0.0023 0.09 0.1674 0.9767 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B07 mock treatment -0.0068 -0.00745 -0.3 -0.0069 -0.00665 -0.27 -0.4026 -0.9981 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B08 mock treatment 0.0212 0.0206 0.83 0.0162 0.0163 0.66 1.0538 0.993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B09 mock treatment 0.0212 0.0206 0.83 0.0192 0.0193 0.78 1.139 0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B10 mock treatment 0.0152 0.0145 0.59 0.0151 0.0153 0.61 0.8517 0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B11 mock treatment 0.0152 0.0146 0.59 0.0131 0.0133 0.53 0.795 0.9987 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B12 mock treatment 0.0052 0.00455 0.18 0.0042 0.00435 0.17 0.254 0.9996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B13 mock treatment 0.0112 0.0105 0.43 0.0081 0.00835 0.34 0.5396 0.9927 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B14 mock treatment 0.0032 0.00255 0.1 1.0E-4 3.49E-4 0.01 0.0831 0.7956 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B15 mock treatment 0.0042 0.00355 0.14 -0.0019 -0.00165 -0.07 0.0549 0.3464 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B16 mock treatment -0.0028 -0.00345 -0.14 -8.0E-4 -6.51E-4 -0.03 -0.1174 -0.8249 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B17 mock treatment -0.0038 -0.00445 -0.18 0.0032 0.00335 0.13 -0.0324 -0.144 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B18 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0022 0.00235 0.09 0.0538 0.5597 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B19 mock treatment 0.0042 0.00355 0.14 0.0032 0.00335 0.13 0.1969 0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B20 mock treatment 0.0042 0.00355 0.14 0.0052 0.00535 0.21 0.2538 0.9812 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B21 mock treatment 0.0162 0.0156 0.63 0.0181 0.0183 0.74 0.9672 0.997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B22 mock treatment -0.0038 -0.00444 -0.18 -0.0019 -0.0017 -0.07 -0.1756 -0.9119 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B23 mock treatment -8.0E-4 -0.00143 -0.06 -9.0E-4 -7.01E-4 -0.03 -0.0609 -0.9448 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base B24 mock treatment 0.0092 0.00856 0.35 0.0041 0.0043 0.17 0.3675 0.948 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C01 mock treatment -0.0028 -0.00345 -0.14 -0.0059 -0.00565 -0.23 -0.2593 -0.9729 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C02 mock treatment -0.0098 -0.0104 -0.42 -0.0078 -0.00765 -0.31 -0.5168 -0.9876 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C03 mock treatment -0.0098 -0.0105 -0.42 -0.0019 -0.00165 -0.07 -0.3467 -0.8081 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C04 mock treatment -0.0068 -0.00745 -0.3 0.0021 0.00235 0.09 -0.1471 -0.4647 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C05 mock treatment -0.0078 -0.00845 -0.34 -0.0109 -0.0107 -0.43 -0.5447 -0.9939 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C06 mock treatment 0.0032 0.00255 0.1 -0.0019 -0.00165 -0.07 0.0264 0.2144 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C07 mock treatment -0.0048 -0.00545 -0.22 -0.0019 -0.00165 -0.07 -0.2032 -0.8804 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C08 mock treatment 0.0042 0.00355 0.14 0.0032 0.00335 0.13 0.1969 0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C09 mock treatment 0.0062 0.00555 0.23 0.0091 0.00935 0.38 0.4246 0.9702 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C10 mock treatment 0.0132 0.0125 0.51 0.0141 0.0143 0.58 0.7673 0.9981 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C11 mock treatment 0.0032 0.00255 0.1 0.0012 0.00135 0.05 0.1114 0.9545 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C12 mock treatment -8.0E-4 -0.00145 -0.06 1.0E-4 3.43E-4 0.01 -0.0319 -0.5272 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C13 mock treatment -0.0018 -0.00245 -0.1 -8.0E-4 -6.51E-4 -0.03 -0.0888 -0.8637 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C14 mock treatment -0.0088 -0.00945 -0.38 -8.0E-4 -6.51E-4 -0.03 -0.2895 -0.7536 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C15 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0022 0.00235 0.09 0.0538 0.5597 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C16 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0052 0.00535 0.21 0.139 0.6446 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C17 mock treatment 0.0022 0.00155 0.06 0.0081 0.00835 0.34 0.2815 0.8252 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C18 mock treatment 0.0032 0.00255 0.1 0.0072 0.00735 0.3 0.2819 0.9013 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C19 mock treatment 0.0012 5.69E-4 0.02 0.0081 0.00835 0.34 0.2534 0.754 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C20 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0041 0.00435 0.17 0.1105 0.6296 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C21 mock treatment 0.0132 0.0125 0.51 0.0152 0.0153 0.62 0.7957 0.9955 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C22 mock treatment -0.0018 -0.00245 -0.1 0.0012 0.00135 0.05 -0.032 -0.2824 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C23 mock treatment -0.0128 -0.0134 -0.55 -0.0089 -0.00865 -0.35 -0.6311 -0.9763 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base C24 mock treatment 0.0022 0.00155 0.06 -0.0029 -0.00265 -0.11 -0.0308 -0.2496 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D01 mock treatment -0.0088 -0.00944 -0.38 -0.0109 -0.0107 -0.43 -0.5732 -0.9985 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D02 mock treatment -0.0048 -0.00543 -0.22 -0.0089 -0.0087 -0.35 -0.4028 -0.9752 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D03 mock treatment -0.0078 -0.00844 -0.34 -0.0129 -0.0127 -0.51 -0.6027 -0.9812 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D04 mock treatment 0.0042 0.00355 0.14 0.0081 0.00835 0.34 0.3389 0.9287 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D05 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0029 -0.00265 -0.11 -0.0882 -0.8165 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D06 mock treatment -0.0128 -0.0134 -0.54 -0.0109 -0.0107 -0.43 -0.689 -0.9931 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D07 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0019 -0.00165 -0.07 -0.0598 -0.8696 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D08 mock treatment -0.0018 -0.00243 -0.1 0.0061 0.0063 0.25 0.1092 0.4021 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D09 mock treatment -0.0118 -0.0124 -0.5 -0.0079 -0.0077 -0.31 -0.5751 -0.9725 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D10 mock treatment 2.0E-4 -4.31E-4 -0.02 -0.0069 -0.0067 -0.27 -0.2026 -0.7514 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D11 mock treatment 0.0052 0.00456 0.18 0.0071 0.00735 0.29 0.3393 0.9747 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D12 mock treatment 0.0012 5.59E-4 0.02 -0.0039 -0.0037 -0.15 -0.0891 -0.5923 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D13 mock treatment -0.0168 -0.0174 -0.71 -0.0179 -0.0177 -0.71 -1.0014 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D14 mock treatment 0.0062 0.00555 0.23 -0.0059 -0.00565 -0.23 -0.0013 -0.0042 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D15 mock treatment -0.0218 -0.0224 -0.91 -0.0159 -0.0157 -0.63 -1.0876 -0.9837 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D16 mock treatment 0.0072 0.00655 0.27 0.0072 0.00735 0.3 0.3965 0.9986 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D17 mock treatment 0.0032 0.00255 0.1 0.0071 0.00735 0.3 0.2817 0.9012 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D18 mock treatment -0.0028 -0.00345 -0.14 0.0042 0.00435 0.17 0.0246 0.1097 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D19 mock treatment -0.0028 -0.00345 -0.14 1.0E-4 3.49E-4 0.01 -0.089 -0.6331 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D20 mock treatment -0.0088 -0.00944 -0.38 -0.0069 -0.00665 -0.27 -0.4596 -0.9845 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D21 mock treatment 0.0082 0.00755 0.31 0.0121 0.0123 0.49 0.5656 0.9736 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D22 mock treatment -0.0088 -0.00943 -0.38 -0.0039 -0.0037 -0.15 -0.3755 -0.9152 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D23 mock treatment 0.0052 0.00456 0.18 0.0061 0.0063 0.25 0.3096 0.9881 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base D24 mock treatment 0.0172 0.0166 0.67 0.0141 0.0143 0.58 0.8823 0.9971 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E01 mock treatment 0.0072 0.00656 0.27 0.0062 0.00635 0.25 0.3684 0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E02 mock treatment 0.0092 0.00856 0.35 0.0141 0.0143 0.58 0.6529 0.9706 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E03 mock treatment 0.0102 0.00955 0.39 0.0121 0.0123 0.5 0.6246 0.9925 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E04 mock treatment 0.0102 0.00955 0.39 0.0062 0.00635 0.25 0.4541 0.9794 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E05 mock treatment 0.0192 0.0186 0.75 0.0171 0.0173 0.7 1.0249 0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E06 mock treatment 0.0022 0.00156 0.06 0.0162 0.0163 0.66 0.509 0.7716 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E07 mock treatment -8.0E-4 -0.00145 -0.06 0.0121 0.0123 0.5 0.3092 0.6192 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E08 mock treatment 0.0202 0.0196 0.79 0.0112 0.0113 0.46 0.8832 0.9654 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E09 mock treatment 0.0192 0.0186 0.75 0.0152 0.0153 0.62 0.9681 0.9951 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E10 mock treatment 0.0342 0.0336 1.36 0.0312 0.0313 1.26 1.8526 0.9992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E11 mock treatment 0.0112 0.0106 0.43 0.0081 0.00835 0.34 0.54 0.9927 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E12 mock treatment 0.0012 5.69E-4 0.02 -0.0019 -0.00165 -0.07 -0.0307 -0.4359 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E13 mock treatment 0.0012 5.49E-4 0.02 0.0161 0.0163 0.65 0.4786 0.7308 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E14 mock treatment -0.0018 -0.00245 -0.1 0.0121 0.0123 0.49 0.2791 0.554 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E15 mock treatment 0.0152 0.0146 0.59 0.0152 0.0153 0.62 0.8534 0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E16 mock treatment 0.0132 0.0126 0.51 0.0162 0.0163 0.66 0.8244 0.9921 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E17 mock treatment 0.0272 0.0266 1.08 0.0242 0.0243 0.98 1.453 0.9988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E18 mock treatment 0.0102 0.00956 0.39 0.0042 0.00435 0.17 0.3976 0.9352 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E19 mock treatment 0.0012 5.53E-4 0.02 0.0062 0.00635 0.25 0.1962 0.7664 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E20 mock treatment 0.0162 0.0156 0.63 0.0202 0.0203 0.82 1.024 0.9918 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E21 mock treatment 0.0252 0.0246 1.0 0.0181 0.0183 0.74 1.2253 0.989 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E22 mock treatment 0.0172 0.0165 0.67 0.0112 0.0113 0.46 0.7968 0.9822 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E23 mock treatment 0.0162 0.0155 0.63 0.0112 0.0113 0.46 0.7682 0.9873 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base E24 mock treatment 0.0262 0.0256 1.04 0.0261 0.0263 1.06 1.4812 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F01 mock treatment -0.0068 -0.00745 -0.3 -0.0069 -0.00665 -0.27 -0.4024 -0.9981 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F02 mock treatment -0.0108 -0.0114 -0.46 -0.0139 -0.0137 -0.55 -0.7168 -0.9964 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F03 mock treatment 0.0012 5.69E-4 0.02 -0.0019 -0.00165 -0.07 -0.0306 -0.4352 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F04 mock treatment 0.0062 0.00555 0.23 0.0072 0.00735 0.3 0.3678 0.991 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F05 mock treatment 0.0032 0.00255 0.1 0.0022 0.00235 0.09 0.1398 0.999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F06 mock treatment 0.0062 0.00555 0.23 -0.0109 -0.0107 -0.43 -0.1447 -0.2984 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F07 mock treatment -0.0088 -0.00944 -0.38 0.0012 0.00135 0.05 -0.2324 -0.601 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F08 mock treatment 0.0172 0.0165 0.67 0.0162 0.0163 0.66 0.9388 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F09 mock treatment 0.0222 0.0216 0.87 0.0162 0.0163 0.66 1.0825 0.99 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F10 mock treatment 0.0082 0.00756 0.31 0.0121 0.0123 0.49 0.5659 0.9737 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F11 mock treatment 0.0072 0.00655 0.27 0.0081 0.00835 0.34 0.4248 0.9934 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F12 mock treatment -0.0098 -0.0104 -0.42 -0.0039 -0.00365 -0.15 -0.4031 -0.8996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F13 mock treatment 0.0112 0.0106 0.43 0.0092 0.00935 0.38 0.5684 0.9978 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F14 mock treatment 0.0212 0.0206 0.83 0.0192 0.0193 0.78 1.139 0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F15 mock treatment 0.0102 0.00955 0.39 0.0181 0.0183 0.74 0.795 0.9549 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F16 mock treatment 0.0192 0.0186 0.75 0.0132 0.0133 0.54 0.9113 0.9862 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F17 mock treatment 0.0172 0.0166 0.67 0.0162 0.0163 0.66 0.9391 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F18 mock treatment 0.0152 0.0146 0.59 0.0171 0.0173 0.7 0.9102 0.9966 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F19 mock treatment 0.0042 0.00355 0.14 0.0132 0.0133 0.54 0.4809 0.8663 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F20 mock treatment 0.0132 0.0126 0.51 0.0152 0.0153 0.62 0.796 0.9955 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F21 mock treatment 0.0152 0.0145 0.59 0.0162 0.0163 0.66 0.8815 0.9986 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F22 mock treatment 0.0162 0.0155 0.63 0.0141 0.0143 0.58 0.8534 0.999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F23 mock treatment -0.0058 -0.00643 -0.26 -0.0049 -0.0047 -0.19 -0.3179 -0.9874 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base F24 mock treatment 0.0342 0.0336 1.36 0.0312 0.0313 1.26 1.8526 0.9992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G01 mock treatment -0.0108 -0.0114 -0.46 -0.0098 -0.00965 -0.39 -0.602 -0.996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G02 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0052 0.00535 0.21 0.139 0.6446 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G03 mock treatment -0.0058 -0.00645 -0.26 -0.0049 -0.00465 -0.19 -0.3172 -0.9864 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G04 mock treatment 0.0012 5.49E-4 0.02 2.0E-4 3.49E-4 0.01 0.0257 0.9751 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G05 mock treatment -0.0038 -0.00443 -0.18 -0.0039 -0.0037 -0.15 -0.2321 -0.9956 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G06 mock treatment 0.0042 0.00355 0.14 0.0032 0.00335 0.13 0.1969 0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G07 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0078 -0.00765 -0.31 -0.2302 -0.7478 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G08 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0032 0.00335 0.13 0.0822 0.6055 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G09 mock treatment 0.0092 0.00856 0.35 0.0092 0.00935 0.38 0.5109 0.9992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G10 mock treatment 0.0162 0.0156 0.63 0.0151 0.0153 0.62 0.8821 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G11 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0019 -0.00165 -0.07 -0.0598 -0.8696 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G12 mock treatment -0.0138 -0.0145 -0.59 -0.0089 -0.0087 -0.35 -0.6615 -0.9695 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G13 mock treatment 2.0E-4 -4.31E-4 -0.02 -0.0299 -0.0297 -1.19 -0.8558 -0.7174 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G14 mock treatment -0.0018 -0.00243 -0.1 -0.0019 -0.0017 -0.07 -0.118 -0.984 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G15 mock treatment 0.0022 0.00157 0.06 0.0041 0.0043 0.17 0.1671 0.908 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G16 mock treatment -0.0088 -0.00944 -0.38 -0.0069 -0.00665 -0.27 -0.4596 -0.9845 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G17 mock treatment 0.0082 0.00756 0.31 0.0081 0.00835 0.34 0.4539 0.999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G18 mock treatment 0.0012 5.49E-4 0.02 -0.0059 -0.00565 -0.23 -0.1447 -0.6346 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G19 mock treatment -0.0108 -0.0115 -0.46 1.0E-4 3.49E-4 0.01 -0.3184 -0.6854 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G20 mock treatment -0.0058 -0.00645 -0.26 0.0042 0.00435 0.17 -0.0615 -0.1954 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G21 mock treatment 0.0042 0.00355 0.14 0.0012 0.00135 0.05 0.1401 0.9109 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G22 mock treatment -0.0018 -0.00245 -0.1 0.0041 0.00435 0.17 0.0532 0.2647 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G23 mock treatment 0.0012 5.49E-4 0.02 -0.0049 -0.00465 -0.19 -0.1163 -0.6184 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base G24 mock treatment -8.0E-4 -0.00144 -0.06 -0.0029 -0.00265 -0.11 -0.1166 -0.9602 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H01 mock treatment -0.0148 -0.0154 -0.63 -0.0098 -0.00965 -0.39 -0.7168 -0.9734 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H02 mock treatment 0.0112 0.0105 0.43 0.0081 0.00835 0.34 0.5396 0.9927 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H03 mock treatment -0.0038 -0.00443 -0.18 -0.0078 -0.00765 -0.31 -0.3443 -0.9673 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H04 mock treatment -0.0048 -0.00545 -0.22 -0.0059 -0.00565 -0.23 -0.3168 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H05 mock treatment -0.0018 -0.00245 -0.1 1.0E-4 3.43E-4 0.01 -0.0605 -0.6033 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H06 mock treatment -0.0048 -0.00543 -0.22 -0.0139 -0.0137 -0.55 -0.5448 -0.9192 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H07 mock treatment -0.0018 -0.00245 -0.1 -0.0019 -0.00165 -0.07 -0.1172 -0.9806 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H08 mock treatment -0.0068 -0.00744 -0.3 -8.0E-4 -6.51E-4 -0.03 -0.2318 -0.7655 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H09 mock treatment -0.0088 -0.00944 -0.38 -0.0089 -0.00865 -0.35 -0.5164 -0.9988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H10 mock treatment 0.0162 0.0155 0.63 0.0152 0.0153 0.62 0.8818 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H11 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0039 -0.00365 -0.15 -0.1166 -0.7891 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H12 mock treatment 0.0012 5.49E-4 0.02 -8.0E-4 -6.51E-4 -0.03 -0.0027 -0.0795 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H13 mock treatment -0.0118 -0.0125 -0.5 -0.0239 -0.0237 -0.95 -1.0286 -0.9563 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H14 mock treatment 0.0042 0.00355 0.14 -0.0129 -0.0127 -0.51 -0.2574 -0.4873 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H15 mock treatment -0.0098 -0.0105 -0.42 -0.0049 -0.00465 -0.19 -0.4317 -0.9322 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H16 mock treatment -0.0108 -0.0114 -0.46 -0.0029 -0.00265 -0.11 -0.4032 -0.8474 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H17 mock treatment -0.0098 -0.0104 -0.42 -0.0029 -0.00265 -0.11 -0.3744 -0.8583 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H18 mock treatment -0.0428 -0.0434 -1.76 -0.0059 -0.00565 -0.23 -1.4059 -0.7917 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H19 mock treatment -0.0088 -0.00944 -0.38 -0.0279 -0.0277 -1.11 -1.0559 -0.899 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H20 mock treatment -0.0018 -0.00245 -0.1 -0.0029 -0.00265 -0.11 -0.1455 -0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H21 mock treatment -8.0E-4 -0.00145 -0.06 -0.0029 -0.00265 -0.11 -0.1169 -0.9609 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H22 mock treatment 0.0052 0.00455 0.18 0.0042 0.00435 0.17 0.254 0.9996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H23 mock treatment 0.0152 0.0145 0.59 0.0101 0.0103 0.42 0.7111 0.9853 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base H24 mock treatment 0.0082 0.00755 0.31 0.0012 0.00135 0.05 0.2548 0.8195 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I01 mock treatment -8.0E-4 -0.00145 -0.06 -0.0069 -0.00665 -0.27 -0.2305 -0.8426 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I02 mock treatment 0.0062 0.00556 0.23 0.0042 0.00435 0.17 0.2829 0.992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I03 mock treatment -0.0018 -0.00245 -0.1 -0.0098 -0.00965 -0.39 -0.3443 -0.8606 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I04 mock treatment -0.0068 -0.00745 -0.3 -0.0059 -0.00565 -0.23 -0.3741 -0.99 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I05 mock treatment 0.0022 0.00156 0.06 0.0101 0.0103 0.42 0.3386 0.8054 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I06 mock treatment -0.0048 -0.00544 -0.22 -0.0089 -0.0087 -0.35 -0.4031 -0.9754 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I07 mock treatment 0.0042 0.00356 0.14 0.0111 0.0113 0.45 0.4229 0.8882 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I08 mock treatment -0.0268 -0.0274 -1.11 -0.0079 -0.00765 -0.31 -1.0042 -0.8699 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I09 mock treatment 0.0042 0.00355 0.14 0.0032 0.00335 0.13 0.1969 0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I10 mock treatment 0.0082 0.00756 0.31 0.0132 0.0133 0.54 0.5958 0.9648 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I11 mock treatment 0.0142 0.0136 0.55 -9.0E-4 -7.01E-4 -0.03 0.3689 0.67 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I12 mock treatment 0.0022 0.00157 0.06 1.0E-4 2.99E-4 0.01 0.0535 0.826 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I13 mock treatment -0.0328 -0.0334 -1.36 0.0021 0.0023 0.09 -0.8933 -0.6574 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I14 mock treatment 2.0E-4 -4.31E-4 -0.02 -0.0089 -0.0087 -0.35 -0.2594 -0.7415 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I15 mock treatment -8.0E-4 -0.00144 -0.06 -0.0129 -0.0127 -0.51 -0.4006 -0.7833 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I16 mock treatment -8.0E-4 -0.00145 -0.06 0.0022 0.00235 0.09 0.0251 0.2259 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I17 mock treatment -0.0028 -0.00345 -0.14 -0.0019 -0.00165 -0.07 -0.1458 -0.9418 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I18 mock treatment -0.0098 -0.0105 -0.42 -0.0029 -0.00265 -0.11 -0.375 -0.8581 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I19 mock treatment 0.0132 0.0126 0.51 -0.0029 -0.00265 -0.11 0.285 0.5475 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I20 mock treatment -0.0028 -0.00345 -0.14 -0.0019 -0.00165 -0.07 -0.1458 -0.9418 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I21 mock treatment -0.0128 -0.0135 -0.55 -0.0099 -0.00965 -0.39 -0.6598 -0.986 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I22 mock treatment 0.0042 0.00355 0.14 0.0061 0.00635 0.25 0.282 0.9634 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I23 mock treatment 0.0062 0.00555 0.23 0.0081 0.00835 0.34 0.3962 0.9812 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base I24 mock treatment -0.0118 -0.0125 -0.5 -0.0118 -0.0117 -0.47 -0.6879 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J01 mock treatment -0.0318 -0.0324 -1.32 -0.0188 -0.0187 -0.75 -1.4599 -0.9643 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J02 mock treatment -8.0E-4 -0.00145 -0.06 -0.0069 -0.00665 -0.27 -0.2305 -0.8426 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J03 mock treatment -0.0298 -0.0304 -1.23 -0.0259 -0.0257 -1.03 -1.601 -0.996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J04 mock treatment -0.0028 -0.00345 -0.14 -0.0039 -0.00365 -0.15 -0.2026 -0.9997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J05 mock treatment -0.0068 -0.00744 -0.3 -0.0019 -0.00165 -0.07 -0.2602 -0.8424 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J06 mock treatment 0.0082 0.00755 0.31 -0.0059 -0.00565 -0.23 0.056 0.147 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J07 mock treatment -0.0188 -0.0194 -0.79 -0.0228 -0.0227 -0.91 -1.2007 -0.9975 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J08 mock treatment -8.0E-4 -0.00145 -0.06 -0.0029 -0.00265 -0.11 -0.1169 -0.9609 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J09 mock treatment 0.0032 0.00255 0.1 -0.0118 -0.0117 -0.47 -0.2577 -0.5379 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J10 mock treatment -0.0068 -0.00744 -0.3 -8.0E-4 -6.51E-4 -0.03 -0.2318 -0.7655 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J11 mock treatment 0.0092 0.00855 0.35 0.0022 0.00235 0.09 0.3119 0.868 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J12 mock treatment -0.0098 -0.0104 -0.42 -0.0019 -0.00165 -0.07 -0.3463 -0.808 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J13 mock treatment -0.0218 -0.0224 -0.91 -0.0159 -0.0157 -0.63 -1.0879 -0.9837 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J14 mock treatment -0.0128 -0.0134 -0.55 0.0012 0.00135 0.05 -0.3471 -0.6337 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J15 mock treatment -0.0108 -0.0114 -0.46 -0.0268 -0.0267 -1.07 -1.0849 -0.93 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J16 mock treatment -0.0088 -0.00944 -0.38 -0.0098 -0.00965 -0.39 -0.5448 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J17 mock treatment -0.0118 -0.0124 -0.5 -0.0159 -0.0157 -0.63 -0.8012 -0.9941 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J18 mock treatment -0.0078 -0.00844 -0.34 0.0031 0.00335 0.13 -0.147 -0.3997 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J19 mock treatment -0.0098 -0.0104 -0.42 0.0032 0.00335 0.13 -0.2043 -0.4598 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J20 mock treatment 0.0062 0.00555 0.23 -0.0039 -0.00365 -0.15 0.0555 0.2065 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J21 mock treatment 0.0122 0.0115 0.47 0.0062 0.00635 0.25 0.5115 0.9591 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J22 mock treatment -0.0138 -0.0144 -0.59 -0.0149 -0.0147 -0.59 -0.8313 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J23 mock treatment -0.0048 -0.00543 -0.22 -0.0079 -0.0077 -0.31 -0.3744 -0.9862 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base J24 mock treatment 0.0102 0.00955 0.39 0.0081 0.00835 0.34 0.5109 0.9974 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K01 mock treatment -0.0068 -0.00745 -0.3 -0.0159 -0.0157 -0.63 -0.6581 -0.9437 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K02 mock treatment -0.0098 -0.0105 -0.42 -0.0019 -0.00165 -0.07 -0.3466 -0.8079 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K03 mock treatment -0.0128 -0.0135 -0.55 -0.0059 -0.00565 -0.23 -0.5462 -0.9245 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K04 mock treatment -0.0018 -0.00245 -0.1 0.0022 0.00235 0.09 -0.0036 -0.026 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K05 mock treatment 0.0042 0.00357 0.14 0.0071 0.0073 0.29 0.3096 0.9471 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K06 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0061 0.0063 0.25 0.166 0.6543 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K07 mock treatment -0.0018 -0.00243 -0.1 0.0141 0.0143 0.57 0.3364 0.5773 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K08 mock treatment 0.0032 0.00257 0.1 -0.0019 -0.00165 -0.07 0.0268 0.217 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K09 mock treatment 0.0032 0.00255 0.1 -0.0019 -0.00165 -0.07 0.0261 0.2124 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K10 mock treatment 0.0122 0.0116 0.47 0.0101 0.0103 0.42 0.6253 0.9982 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K11 mock treatment -8.0E-4 -0.00145 -0.06 0.0061 0.0063 0.25 0.1373 0.5286 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K12 mock treatment 2.0E-4 -4.31E-4 -0.02 0.0011 0.0013 0.05 0.0245 0.4461 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K13 mock treatment -0.0018 -0.00245 -0.1 -0.0039 -0.0037 -0.15 -0.1754 -0.9809 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K14 mock treatment -0.0108 -0.0114 -0.46 -0.0019 -0.0017 -0.07 -0.3762 -0.8026 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K15 mock treatment 0.0042 0.00357 0.14 0.0061 0.0063 0.25 0.2812 0.9649 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K16 mock treatment 0.0082 0.00756 0.31 0.0121 0.0123 0.5 0.5674 0.9733 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K17 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0029 -0.00265 -0.11 -0.0882 -0.8165 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K18 mock treatment -0.0068 -0.00745 -0.3 -0.0138 -0.0137 -0.55 -0.6013 -0.9606 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K19 mock treatment -0.0038 -0.00445 -0.18 -0.0079 -0.0077 -0.31 -0.3462 -0.967 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K20 mock treatment 0.0022 0.00155 0.06 -0.0069 -0.0067 -0.27 -0.1459 -0.5278 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K21 mock treatment -0.0028 -0.00345 -0.14 -0.0069 -0.0067 -0.27 -0.2892 -0.9536 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K22 mock treatment 0.0082 0.00755 0.31 0.0052 0.00535 0.21 0.3684 0.985 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K23 mock treatment 0.0062 0.00555 0.23 0.0041 0.00435 0.17 0.2825 0.9921 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base K24 mock treatment 0.0172 0.0166 0.67 0.0101 0.0103 0.42 0.7687 0.9734 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L01 mock treatment -8.0E-4 -0.00145 -0.06 -0.0029 -0.00265 -0.11 -0.1169 -0.9609 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L02 mock treatment 0.0082 0.00755 0.31 0.0042 0.00435 0.17 0.3401 0.9645 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L03 mock treatment -8.0E-4 -0.00145 -0.06 -0.0049 -0.00465 -0.19 -0.1737 -0.8869 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L04 mock treatment 0.0052 0.00455 0.18 0.0011 0.00134 0.05 0.1686 0.8771 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L05 mock treatment 0.0082 0.00755 0.31 0.0051 0.00535 0.21 0.3683 0.9849 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L06 mock treatment -0.0028 -0.00345 -0.14 -0.0109 -0.0107 -0.43 -0.4014 -0.8919 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L07 mock treatment -0.0148 -0.0154 -0.63 -0.0029 -0.00265 -0.11 -0.5179 -0.8156 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L08 mock treatment 0.0032 0.00255 0.1 -0.0019 -0.00165 -0.07 0.0262 0.2135 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L09 mock treatment 0.0172 0.0166 0.67 0.0081 0.00835 0.34 0.7119 0.9485 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L10 mock treatment 0.0232 0.0226 0.92 0.0162 0.0163 0.66 1.1115 0.9867 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L11 mock treatment 0.0122 0.0115 0.47 0.0181 0.0183 0.74 0.8522 0.9761 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L12 mock treatment 0.0122 0.0115 0.47 0.0132 0.0133 0.54 0.7103 0.9977 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L13 mock treatment 0.0052 0.00455 0.18 0.0062 0.00635 0.25 0.3108 0.9874 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L14 mock treatment 0.0042 0.00355 0.14 0.0012 0.00135 0.05 0.1402 0.9107 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L15 mock treatment -0.0058 -0.00645 -0.26 -0.0118 -0.0117 -0.47 -0.5158 -0.9623 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L16 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0132 0.0133 0.54 0.3662 0.6826 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L17 mock treatment 0.0282 0.0276 1.12 0.0242 0.0243 0.98 1.4817 0.9978 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L18 mock treatment 0.0122 0.0115 0.47 0.0032 0.00335 0.13 0.4263 0.8748 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L19 mock treatment 2.0E-4 -4.51E-4 -0.02 0.0111 0.0113 0.46 0.3093 0.6782 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L20 mock treatment 0.0172 0.0166 0.67 -9.0E-4 -6.55E-4 -0.03 0.4562 0.6789 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L21 mock treatment 0.0102 0.00955 0.39 0.0062 0.00635 0.25 0.4541 0.9794 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L22 mock treatment 0.0122 0.0115 0.47 0.0081 0.00835 0.34 0.5683 0.9866 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L23 mock treatment 0.0102 0.00955 0.39 0.0181 0.0183 0.74 0.795 0.9549 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base L24 mock treatment 0.0322 0.0316 1.28 0.0272 0.0273 1.1 1.6816 0.9971 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M01 mock treatment 2.0E-4 -4.31E-4 -0.02 0.0031 0.0033 0.13 0.0813 0.6086 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M02 mock treatment 0.0052 0.00457 0.19 0.0062 0.00635 0.25 0.3113 0.9877 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M03 mock treatment 0.0092 0.00857 0.35 0.0081 0.0083 0.33 0.4814 0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M04 mock treatment 0.0032 0.00257 0.1 1.0E-4 3.49E-4 0.01 0.0836 0.7951 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M05 mock treatment 0.0082 0.00757 0.31 0.0081 0.0083 0.33 0.4527 0.9992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M06 mock treatment 0.0072 0.00657 0.27 0.0051 0.0053 0.21 0.3389 0.9938 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M07 mock treatment 0.0162 0.0156 0.63 0.0131 0.0133 0.53 0.8241 0.9965 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M08 mock treatment 0.0192 0.0186 0.75 0.0151 0.0153 0.61 0.9666 0.9949 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M09 mock treatment 0.0202 0.0196 0.79 0.0211 0.0213 0.86 1.1671 0.9992 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M10 mock treatment -0.0148 -0.0154 -0.63 0.0012 0.00135 0.05 -0.4043 -0.6435 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M11 mock treatment 0.0122 0.0116 0.47 0.0052 0.00535 0.21 0.4834 0.9374 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M12 mock treatment -0.0148 -0.0155 -0.63 0.0032 0.00335 0.13 -0.3479 -0.543 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M13 mock treatment 0.0122 0.0116 0.47 -0.0059 -0.0057 -0.23 0.1699 0.3254 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M14 mock treatment 0.0222 0.0216 0.87 0.0191 0.0193 0.78 1.1666 0.9982 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M15 mock treatment 0.0012 5.69E-4 0.02 0.0011 0.0013 0.05 0.0532 0.9328 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M16 mock treatment -0.0108 -0.0115 -0.46 -0.0019 -0.00165 -0.07 -0.3752 -0.8 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M17 mock treatment 0.0162 0.0156 0.63 0.0161 0.0163 0.65 0.9093 0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M18 mock treatment -0.0028 -0.00344 -0.14 0.0011 0.0013 0.05 -0.0618 -0.4147 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M19 mock treatment 0.0062 0.00556 0.23 0.0131 0.0133 0.53 0.5371 0.9264 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M20 mock treatment 0.0162 0.0156 0.63 0.0121 0.0123 0.49 0.7954 0.9927 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M21 mock treatment 0.0152 0.0146 0.59 0.0101 0.0103 0.42 0.7114 0.9852 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M22 mock treatment 0.0112 0.0105 0.43 0.0072 0.00735 0.3 0.5112 0.9836 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M23 mock treatment 0.0092 0.00855 0.35 -8.0E-4 -6.51E-4 -0.03 0.2267 0.6519 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base M24 mock treatment 0.0012 5.49E-4 0.02 0.0022 0.00235 0.09 0.0825 0.8507 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N01 mock treatment -0.0138 -0.0145 -0.59 -0.0118 -0.0117 -0.47 -0.7452 -0.9938 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N02 mock treatment -0.0268 -0.0274 -1.11 -0.0259 -0.0257 -1.03 -1.5153 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N03 mock treatment -0.0278 -0.0284 -1.15 -0.0268 -0.0267 -1.07 -1.5724 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N04 mock treatment -0.0228 -0.0234 -0.95 -0.0209 -0.0207 -0.83 -1.2586 -0.9977 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N05 mock treatment -0.0028 -0.00345 -0.14 0.0012 0.00135 0.05 -0.0606 -0.4041 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N06 mock treatment -0.0038 -0.00445 -0.18 -0.0078 -0.00765 -0.31 -0.3448 -0.9677 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N07 mock treatment -0.0048 -0.00545 -0.22 -0.0039 -0.00365 -0.15 -0.26 -0.9801 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N08 mock treatment 2.0E-4 -4.42E-4 -0.02 -0.0089 -0.00865 -0.35 -0.2583 -0.7426 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N09 mock treatment -0.0128 -0.0134 -0.55 -0.0149 -0.0147 -0.59 -0.8015 -0.9993 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N10 mock treatment 0.0122 0.0115 0.47 0.0012 0.00135 0.05 0.3695 0.7837 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N11 mock treatment -0.0128 -0.0134 -0.55 -0.0219 -0.0217 -0.87 -1.0002 -0.9747 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N12 mock treatment 0.0022 0.00155 0.06 0.0031 0.00335 0.13 0.1396 0.9404 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N13 mock treatment 0.0012 5.49E-4 0.02 0.0011 0.00135 0.05 0.054 0.9231 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N14 mock treatment -0.0068 -0.00745 -0.3 -0.0049 -0.00465 -0.19 -0.3457 -0.9733 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N15 mock treatment 0.0102 0.00955 0.39 0.0081 0.00835 0.34 0.5109 0.9974 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N16 mock treatment -0.0078 -0.00843 -0.34 -0.0169 -0.0167 -0.67 -0.7146 -0.9515 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N17 mock treatment -0.0048 -0.00545 -0.22 -0.0089 -0.00865 -0.35 -0.402 -0.9762 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N18 mock treatment -0.0228 -0.0234 -0.95 -0.0239 -0.0237 -0.95 -1.3438 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N19 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0049 -0.00465 -0.19 -0.145 -0.7726 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N20 mock treatment 0.0052 0.00455 0.18 0.0091 0.00935 0.38 0.3959 0.9465 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N21 mock treatment 0.0142 0.0136 0.55 0.0081 0.00835 0.34 0.6259 0.9719 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N22 mock treatment 0.0072 0.00656 0.27 0.0022 0.00235 0.09 0.2548 0.9028 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N23 mock treatment -0.0018 -0.00243 -0.1 0.0012 0.00135 0.05 -0.0314 -0.2791 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base N24 mock treatment 0.0152 0.0145 0.59 0.0141 0.0143 0.58 0.8247 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O01 mock treatment 0.0032 0.00255 0.1 1.0E-4 3.49E-4 0.01 0.083 0.7957 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O02 mock treatment 0.0052 0.00457 0.19 0.0121 0.0123 0.5 0.4817 0.9099 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O03 mock treatment -0.0028 -0.00344 -0.14 -0.0059 -0.0057 -0.23 -0.2606 -0.9718 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O04 mock treatment 0.0162 0.0156 0.63 0.0091 0.0093 0.37 0.7102 0.9687 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O05 mock treatment 0.0092 0.00857 0.35 0.0071 0.0073 0.29 0.453 0.9964 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O06 mock treatment 0.0012 5.69E-4 0.02 0.0011 0.0013 0.05 0.0532 0.9328 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O07 mock treatment 0.0092 0.00857 0.35 0.0061 0.0063 0.25 0.4246 0.9878 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O08 mock treatment 0.0012 5.49E-4 0.02 0.0011 0.0013 0.05 0.0526 0.928 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O09 mock treatment 0.0062 0.00556 0.23 0.0041 0.0043 0.17 0.2815 0.9913 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O10 mock treatment 0.0022 0.00155 0.06 -8.0E-4 -6.51E-4 -0.03 0.0259 0.3813 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O11 mock treatment 0.0022 0.00157 0.06 -0.0019 -0.0017 -0.07 -0.0033 -0.0353 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O12 mock treatment -0.0028 -0.00343 -0.14 -9.0E-4 -7.01E-4 -0.03 -0.1183 -0.8333 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O13 mock treatment 0.0172 0.0166 0.67 0.0171 0.0173 0.69 0.9664 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O14 mock treatment 0.0172 0.0166 0.67 0.0161 0.0163 0.65 0.9377 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O15 mock treatment 0.0152 0.0146 0.59 0.0121 0.0123 0.49 0.7668 0.9961 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O16 mock treatment 0.0092 0.00856 0.35 0.0101 0.0103 0.42 0.5393 0.996 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O17 mock treatment 0.0152 0.0146 0.59 0.0141 0.0143 0.58 0.825 0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O18 mock treatment -0.0058 -0.00645 -0.26 1.0E-4 3.49E-4 0.01 -0.1751 -0.6682 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O19 mock treatment 0.0062 0.00556 0.23 0.0021 0.0023 0.09 0.2247 0.9223 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O20 mock treatment 0.0042 0.00356 0.14 0.0022 0.00235 0.09 0.1688 0.9788 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O21 mock treatment 0.0102 0.00955 0.39 0.0081 0.00835 0.34 0.5109 0.9974 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O22 mock treatment 0.0052 0.00455 0.18 0.0061 0.00635 0.25 0.3107 0.9874 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O23 mock treatment 0.0022 0.00155 0.06 1.0E-4 3.49E-4 0.01 0.0543 0.8441 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base O24 mock treatment -0.0088 -0.00945 -0.38 -0.0109 -0.0107 -0.43 -0.5735 -0.9985 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P01 mock treatment -0.0188 -0.0194 -0.79 -0.0179 -0.0177 -0.71 -1.0587 -0.9986 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P02 mock treatment -0.0148 -0.0154 -0.63 -0.0199 -0.0197 -0.79 -1.0009 -0.9934 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P03 mock treatment -0.0088 -0.00945 -0.38 -0.0098 -0.00965 -0.39 -0.5451 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P04 mock treatment -0.0208 -0.0214 -0.87 -0.0239 -0.0237 -0.95 -1.2864 -0.999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P05 mock treatment -0.0248 -0.0254 -1.03 -0.0259 -0.0257 -1.03 -1.4579 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P06 mock treatment -0.0208 -0.0214 -0.87 -0.0239 -0.0237 -0.95 -1.2864 -0.999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P07 mock treatment -0.0248 -0.0254 -1.03 -0.0259 -0.0257 -1.03 -1.4591 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P08 mock treatment 2.0E-4 -4.42E-4 -0.02 -0.0059 -0.00565 -0.23 -0.1731 -0.7605 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P09 mock treatment -0.0198 -0.0204 -0.83 -0.0239 -0.0237 -0.95 -1.2578 -0.9977 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P10 mock treatment -0.0178 -0.0184 -0.75 -0.0209 -0.0207 -0.83 -1.1164 -0.9986 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P11 mock treatment -0.0218 -0.0224 -0.91 -0.0259 -0.0257 -1.03 -1.3719 -0.9981 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P12 mock treatment -0.0078 -0.00845 -0.34 -0.0069 -0.00665 -0.27 -0.4312 -0.9924 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P13 mock treatment -0.0398 -0.0404 -1.64 -0.0408 -0.0407 -1.63 -2.314 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P14 mock treatment -0.0128 -0.0134 -0.55 -0.0159 -0.0157 -0.63 -0.8299 -0.9975 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P15 mock treatment -8.0E-4 -0.00145 -0.06 -0.0049 -0.00465 -0.19 -0.1737 -0.8868 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P16 mock treatment -0.0088 -0.00944 -0.38 -0.0169 -0.0167 -0.67 -0.7436 -0.965 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P17 mock treatment -0.0268 -0.0274 -1.11 -0.0299 -0.0297 -1.19 -1.6289 -0.9994 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P18 mock treatment -0.0058 -0.00644 -0.26 -0.0078 -0.00765 -0.31 -0.402 -0.9967 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P19 mock treatment -0.0118 -0.0124 -0.5 -0.0059 -0.00565 -0.23 -0.5172 -0.9349 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P20 mock treatment -0.0088 -0.00944 -0.38 -0.0089 -0.00865 -0.35 -0.5164 -0.9988 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P21 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0059 -0.00565 -0.23 -0.1734 -0.7616 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P22 mock treatment -0.0098 -0.0104 -0.42 -0.0109 -0.0107 -0.43 -0.6016 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P23 mock treatment -0.0068 -0.00743 -0.3 -0.0119 -0.0117 -0.47 -0.5453 -0.9769 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Base P24 mock treatment 2.0E-4 -4.51E-4 -0.02 -0.0049 -0.00465 -0.19 -0.145 -0.7726 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A01 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5039 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A02 positive control -0.537 -0.538 -21.8 -0.5305 -0.53 -21.3 -30.4758 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A03 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2757 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A04 positive control -0.538 -0.539 -21.84 -0.5325 -0.532 -21.38 -30.5613 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A05 positive control -0.535 -0.536 -21.72 -0.5345 -0.534 -21.46 -30.5321 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A06 positive control -0.536 -0.537 -21.76 -0.5335 -0.533 -21.42 -30.5323 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A07 positive control -0.531 -0.532 -21.56 -0.5295 -0.529 -21.26 -30.2754 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A08 positive control -0.536 -0.537 -21.76 -0.5335 -0.533 -21.42 -30.5323 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A09 positive control -0.541 -0.542 -21.96 -0.5355 -0.535 -21.5 -30.7325 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A10 positive control -0.539 -0.54 -21.88 -0.5365 -0.536 -21.54 -30.7036 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A11 positive control -0.539 -0.54 -21.88 -0.5335 -0.533 -21.42 -30.6184 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A12 positive control -0.536 -0.537 -21.76 -0.5335 -0.533 -21.42 -30.5323 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A13 positive control -0.538 -0.539 -21.84 -0.5345 -0.534 -21.46 -30.6181 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A14 positive control -0.54 -0.541 -21.92 -0.5385 -0.538 -21.62 -30.789 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A15 positive control -0.537 -0.538 -21.8 -0.5345 -0.534 -21.46 -30.5894 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A16 positive control -0.541 -0.542 -21.96 -0.5385 -0.538 -21.62 -30.8177 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A17 positive control -0.541 -0.542 -21.96 -0.5395 -0.539 -21.66 -30.8461 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A18 positive control -0.543 -0.544 -22.05 -0.5405 -0.54 -21.7 -30.9318 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A19 positive control -0.54 -0.541 -21.92 -0.5365 -0.536 -21.54 -30.7322 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A20 positive control -0.539 -0.54 -21.88 -0.5385 -0.538 -21.62 -30.7604 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A21 positive control -0.546 -0.547 -22.17 -0.5435 -0.543 -21.82 -31.1031 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A22 positive control -0.545 -0.546 -22.13 -0.5455 -0.545 -21.9 -31.1312 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A23 positive control -0.543 -0.544 -22.05 -0.5415 -0.541 -21.74 -30.9602 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos A24 positive control -0.556 -0.557 -22.57 -0.5515 -0.551 -22.14 -31.617 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B01 positive control -0.537 -0.538 -21.8 -0.5305 -0.53 -21.3 -30.4758 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B02 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B03 positive control -0.526 -0.527 -21.36 -0.5225 -0.522 -20.98 -29.9335 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B04 positive control -0.525 -0.526 -21.32 -0.5225 -0.522 -20.98 -29.9045 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B05 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1615 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B06 positive control -0.535 -0.536 -21.72 -0.5315 -0.531 -21.34 -30.4472 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B07 positive control -0.529 -0.53 -21.48 -0.5255 -0.525 -21.1 -30.1047 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B08 positive control -0.528 -0.529 -21.44 -0.5245 -0.524 -21.06 -30.0474 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B09 positive control -0.531 -0.532 -21.56 -0.5305 -0.53 -21.3 -30.3042 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B10 positive control -0.534 -0.535 -21.68 -0.5305 -0.53 -21.3 -30.3901 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B11 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.333 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B12 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5042 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B13 positive control -0.531 -0.532 -21.56 -0.5255 -0.525 -21.1 -30.1621 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B14 positive control -0.529 -0.53 -21.48 -0.5255 -0.525 -21.1 -30.1044 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B15 positive control -0.531 -0.532 -21.56 -0.5285 -0.528 -21.22 -30.2473 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B16 positive control -0.531 -0.532 -21.56 -0.5285 -0.528 -21.22 -30.2473 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B17 positive control -0.532 -0.533 -21.6 -0.5295 -0.529 -21.26 -30.304 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B18 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B19 positive control -0.532 -0.533 -21.6 -0.5305 -0.53 -21.3 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B20 positive control -0.531 -0.532 -21.56 -0.5305 -0.53 -21.3 -30.3041 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B21 positive control -0.537 -0.538 -21.8 -0.5345 -0.534 -21.46 -30.5897 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B22 positive control -0.538 -0.539 -21.84 -0.5345 -0.534 -21.46 -30.6184 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B23 positive control -0.535 -0.536 -21.72 -0.5345 -0.534 -21.46 -30.5323 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos B24 positive control -0.542 -0.543 -22.01 -0.5375 -0.537 -21.58 -30.8183 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C01 positive control -0.527 -0.528 -21.4 -0.5225 -0.522 -20.98 -29.9622 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C02 positive control -0.528 -0.529 -21.44 -0.5255 -0.525 -21.1 -30.076 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C03 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2757 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C04 positive control -0.53 -0.531 -21.52 -0.5255 -0.525 -21.1 -30.1334 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C05 positive control -0.528 -0.529 -21.44 -0.5245 -0.524 -21.06 -30.0474 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C06 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2189 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C07 positive control -0.53 -0.531 -21.52 -0.5255 -0.525 -21.1 -30.1334 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C08 positive control -0.529 -0.53 -21.48 -0.5255 -0.525 -21.1 -30.1047 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C09 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.219 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C10 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5042 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C11 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3046 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C12 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2189 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C13 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1618 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C14 positive control -0.533 -0.534 -21.64 -0.5305 -0.53 -21.3 -30.3614 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C15 positive control -0.533 -0.534 -21.64 -0.5275 -0.527 -21.18 -30.2759 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C16 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1615 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C17 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1618 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C18 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C19 positive control -0.532 -0.533 -21.6 -0.5295 -0.529 -21.26 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C20 positive control -0.534 -0.535 -21.68 -0.5315 -0.531 -21.34 -30.4185 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C21 positive control -0.535 -0.536 -21.72 -0.5335 -0.533 -21.42 -30.504 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C22 positive control -0.537 -0.538 -21.8 -0.5355 -0.535 -21.5 -30.6181 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C23 positive control -0.54 -0.541 -21.92 -0.5375 -0.537 -21.58 -30.7609 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos C24 positive control -0.544 -0.545 -22.09 -0.5375 -0.537 -21.58 -30.8755 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D01 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2186 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D02 positive control -0.529 -0.53 -21.48 -0.5275 -0.527 -21.18 -30.1612 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D03 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D04 positive control -0.537 -0.538 -21.8 -0.5325 -0.532 -21.38 -30.5326 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D05 positive control -0.535 -0.536 -21.72 -0.5315 -0.531 -21.34 -30.4469 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D06 positive control -0.534 -0.535 -21.68 -0.5285 -0.528 -21.22 -30.333 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D07 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2186 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D08 positive control -0.534 -0.535 -21.68 -0.5295 -0.529 -21.26 -30.3617 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D09 positive control -0.536 -0.537 -21.76 -0.5295 -0.529 -21.26 -30.419 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D10 positive control -0.537 -0.538 -21.8 -0.5325 -0.532 -21.38 -30.5326 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D11 positive control -0.529 -0.53 -21.48 -0.5235 -0.523 -21.02 -30.0479 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D12 positive control -0.535 -0.536 -21.72 -0.5305 -0.53 -21.3 -30.4185 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D13 positive control -0.533 -0.534 -21.64 -0.5265 -0.526 -21.14 -30.2478 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D14 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2757 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D15 positive control -0.538 -0.539 -21.84 -0.5315 -0.531 -21.34 -30.5329 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D16 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3046 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D17 positive control -0.536 -0.537 -21.76 -0.5295 -0.529 -21.26 -30.4187 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D18 positive control -0.537 -0.538 -21.8 -0.5305 -0.53 -21.3 -30.4761 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D19 positive control -0.537 -0.538 -21.8 -0.5305 -0.53 -21.3 -30.4758 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D20 positive control -0.533 -0.534 -21.64 -0.5305 -0.53 -21.3 -30.3614 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D21 positive control -0.54 -0.541 -21.92 -0.5345 -0.534 -21.46 -30.6754 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D22 positive control -0.535 -0.536 -21.72 -0.5345 -0.534 -21.46 -30.5323 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D23 positive control -0.538 -0.539 -21.84 -0.5335 -0.533 -21.42 -30.5897 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos D24 positive control -0.538 -0.539 -21.84 -0.5335 -0.533 -21.42 -30.5901 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E01 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2189 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E02 positive control -0.53 -0.531 -21.52 -0.5255 -0.525 -21.1 -30.1331 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E03 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1618 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E04 positive control -0.529 -0.53 -21.48 -0.5245 -0.524 -21.06 -30.0763 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E05 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E06 positive control -0.528 -0.529 -21.44 -0.5235 -0.523 -21.02 -30.019 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E07 positive control -0.529 -0.53 -21.48 -0.5265 -0.526 -21.14 -30.1328 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E08 positive control -0.528 -0.529 -21.44 -0.5255 -0.525 -21.1 -30.0758 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E09 positive control -0.531 -0.532 -21.56 -0.5285 -0.528 -21.22 -30.247 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E10 positive control -0.53 -0.531 -21.52 -0.5255 -0.525 -21.1 -30.1331 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E11 positive control -0.537 -0.538 -21.8 -0.5295 -0.529 -21.26 -30.4474 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E12 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E13 positive control -0.528 -0.529 -21.44 -0.5235 -0.523 -21.02 -30.019 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E14 positive control -0.533 -0.534 -21.64 -0.5305 -0.53 -21.3 -30.3611 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E15 positive control -0.523 -0.524 -21.23 -0.5185 -0.518 -20.81 -29.7336 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E16 positive control -0.532 -0.533 -21.6 -0.5245 -0.524 -21.06 -30.1623 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E17 positive control -0.536 -0.537 -21.76 -0.5295 -0.529 -21.26 -30.4187 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E18 positive control -0.531 -0.532 -21.56 -0.5255 -0.525 -21.1 -30.1618 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E19 positive control -0.53 -0.531 -21.52 -0.5275 -0.527 -21.18 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E20 positive control -0.533 -0.534 -21.64 -0.5275 -0.527 -21.18 -30.2759 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E21 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E22 positive control -0.533 -0.534 -21.64 -0.5305 -0.53 -21.3 -30.3611 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E23 positive control -0.534 -0.535 -21.68 -0.5305 -0.53 -21.3 -30.3901 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos E24 positive control -0.542 -0.543 -22.01 -0.5385 -0.538 -21.62 -30.8464 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F01 positive control -0.532 -0.533 -21.6 -0.5295 -0.529 -21.26 -30.304 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F02 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F03 positive control -0.528 -0.529 -21.44 -0.5245 -0.524 -21.06 -30.0476 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F04 positive control -0.534 -0.535 -21.68 -0.5295 -0.529 -21.26 -30.3614 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F05 positive control -0.528 -0.529 -21.44 -0.5225 -0.522 -20.98 -29.9909 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F06 positive control -0.529 -0.53 -21.48 -0.5245 -0.524 -21.06 -30.0762 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F07 positive control -0.528 -0.529 -21.44 -0.5265 -0.526 -21.14 -30.1044 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F08 positive control -0.528 -0.529 -21.44 -0.5245 -0.524 -21.06 -30.0476 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F09 positive control -0.538 -0.539 -21.84 -0.5335 -0.533 -21.42 -30.5897 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F10 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2186 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F11 positive control -0.535 -0.536 -21.72 -0.5305 -0.53 -21.3 -30.4185 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F12 positive control -0.532 -0.533 -21.6 -0.5295 -0.529 -21.26 -30.304 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F13 positive control -0.527 -0.528 -21.4 -0.5225 -0.522 -20.98 -29.9619 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F14 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2761 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F15 positive control -0.53 -0.531 -21.52 -0.5285 -0.528 -21.22 -30.2183 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F16 positive control -0.53 -0.531 -21.52 -0.5225 -0.522 -20.98 -30.0479 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F17 positive control -0.533 -0.534 -21.64 -0.5275 -0.527 -21.18 -30.2763 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F18 positive control -0.534 -0.535 -21.68 -0.5295 -0.529 -21.26 -30.3618 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F19 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2189 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F20 positive control -0.53 -0.531 -21.52 -0.5255 -0.525 -21.1 -30.1331 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F21 positive control -0.536 -0.537 -21.76 -0.5305 -0.53 -21.3 -30.4474 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F22 positive control -0.534 -0.535 -21.68 -0.5295 -0.529 -21.26 -30.3617 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F23 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3045 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos F24 positive control -0.541 -0.542 -21.97 -0.5375 -0.537 -21.58 -30.7896 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G01 positive control -0.531 -0.532 -21.56 -0.5245 -0.524 -21.06 -30.1337 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G02 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2189 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G03 positive control -0.535 -0.536 -21.72 -0.5325 -0.532 -21.38 -30.4753 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G04 positive control -0.529 -0.53 -21.48 -0.5225 -0.522 -20.98 -30.0192 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G05 positive control -0.53 -0.531 -21.52 -0.5235 -0.523 -21.02 -30.0766 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G06 positive control -0.532 -0.533 -21.6 -0.5275 -0.527 -21.18 -30.2475 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G07 positive control -0.526 -0.527 -21.36 -0.5215 -0.521 -20.94 -29.9048 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G08 positive control -0.529 -0.53 -21.48 -0.5265 -0.526 -21.14 -30.1328 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G09 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1618 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G10 positive control -0.531 -0.532 -21.56 -0.5295 -0.529 -21.26 -30.2757 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G11 positive control -0.526 -0.527 -21.36 -0.5275 -0.527 -21.18 -30.0754 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G12 positive control -0.529 -0.53 -21.48 -0.5215 -0.521 -20.94 -29.9908 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G13 positive control -0.52 -0.521 -21.11 -0.5195 -0.519 -20.85 -29.6763 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G14 positive control -0.53 -0.531 -21.52 -0.5285 -0.528 -21.22 -30.2183 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G15 positive control -0.528 -0.529 -21.44 -0.5245 -0.524 -21.06 -30.0474 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G16 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G17 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G18 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2186 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G19 positive control -0.527 -0.528 -21.4 -0.5265 -0.526 -21.14 -30.0758 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G20 positive control -0.538 -0.539 -21.84 -0.5355 -0.535 -21.5 -30.6465 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G21 positive control -0.536 -0.537 -21.76 -0.5335 -0.533 -21.42 -30.5326 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G22 positive control -0.538 -0.539 -21.84 -0.5345 -0.534 -21.46 -30.6184 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G23 positive control -0.537 -0.538 -21.8 -0.5335 -0.533 -21.42 -30.5613 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos G24 positive control -0.544 -0.545 -22.09 -0.5415 -0.541 -21.74 -30.9889 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H01 positive control -0.533 -0.534 -21.64 -0.5265 -0.526 -21.14 -30.2475 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H02 positive control -0.538 -0.539 -21.84 -0.5325 -0.532 -21.38 -30.5613 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H03 positive control -0.528 -0.529 -21.44 -0.5235 -0.523 -21.02 -30.019 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H04 positive control -0.532 -0.533 -21.6 -0.5265 -0.526 -21.14 -30.2189 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H05 positive control -0.533 -0.534 -21.64 -0.5265 -0.526 -21.14 -30.2475 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H06 positive control -0.531 -0.532 -21.56 -0.5255 -0.525 -21.1 -30.1618 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H07 positive control -0.53 -0.531 -21.52 -0.5235 -0.523 -21.02 -30.0763 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H08 positive control -0.532 -0.533 -21.6 -0.5275 -0.527 -21.18 -30.2473 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H09 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.333 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H10 positive control -0.531 -0.532 -21.56 -0.5245 -0.524 -21.06 -30.1337 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H11 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H12 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.333 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H13 positive control -0.529 -0.53 -21.48 -0.5245 -0.524 -21.06 -30.0763 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H14 positive control -0.53 -0.531 -21.52 -0.5235 -0.523 -21.02 -30.0763 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H15 positive control -0.531 -0.532 -21.56 -0.5245 -0.524 -21.06 -30.1334 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H16 positive control -0.532 -0.533 -21.6 -0.5275 -0.527 -21.18 -30.2475 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H17 positive control -0.529 -0.53 -21.48 -0.5235 -0.523 -21.02 -30.0479 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H18 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5039 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H19 positive control -0.534 -0.535 -21.68 -0.5315 -0.531 -21.34 -30.4182 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H20 positive control -0.533 -0.534 -21.64 -0.5305 -0.53 -21.3 -30.3615 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H21 positive control -0.534 -0.535 -21.68 -0.5305 -0.53 -21.3 -30.3901 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H22 positive control -0.537 -0.538 -21.8 -0.5335 -0.533 -21.42 -30.5613 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H23 positive control -0.537 -0.538 -21.8 -0.5345 -0.534 -21.46 -30.5894 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos H24 positive control -0.538 -0.539 -21.84 -0.5345 -0.534 -21.46 -30.6184 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I01 positive control -0.527 -0.528 -21.4 -0.5225 -0.522 -20.98 -29.9622 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I02 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3045 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I03 positive control -0.524 -0.525 -21.28 -0.5215 -0.521 -20.94 -29.8478 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I04 positive control -0.532 -0.533 -21.6 -0.5275 -0.527 -21.18 -30.2475 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I05 positive control -0.531 -0.532 -21.56 -0.5285 -0.528 -21.22 -30.2473 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I06 positive control -0.532 -0.533 -21.6 -0.5275 -0.527 -21.18 -30.2475 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I07 positive control -0.53 -0.531 -21.52 -0.5235 -0.523 -21.02 -30.0763 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I08 positive control -0.533 -0.534 -21.64 -0.5235 -0.523 -21.02 -30.1626 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I09 positive control -0.527 -0.528 -21.4 -0.5225 -0.522 -20.98 -29.9619 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I10 positive control -0.523 -0.524 -21.24 -0.5235 -0.523 -21.02 -29.8759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I11 positive control -0.53 -0.531 -21.52 -0.5295 -0.529 -21.26 -30.247 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I12 positive control -0.531 -0.532 -21.56 -0.5285 -0.528 -21.22 -30.247 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I13 positive control -0.524 -0.525 -21.28 -0.5195 -0.519 -20.85 -29.7907 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I14 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2189 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I15 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I16 positive control -0.537 -0.538 -21.8 -0.5315 -0.531 -21.34 -30.5045 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I17 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I18 positive control -0.531 -0.532 -21.56 -0.5195 -0.519 -20.85 -29.9914 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I19 positive control -0.532 -0.533 -21.6 -0.5315 -0.531 -21.34 -30.3608 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I20 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I21 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1615 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I22 positive control -0.534 -0.535 -21.68 -0.5305 -0.53 -21.3 -30.3901 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I23 positive control -0.532 -0.533 -21.6 -0.5295 -0.529 -21.26 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos I24 positive control -0.539 -0.54 -21.88 -0.5365 -0.536 -21.54 -30.7038 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J01 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1615 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J02 positive control -0.539 -0.54 -21.88 -0.5365 -0.536 -21.54 -30.7036 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J03 positive control -0.533 -0.534 -21.64 -0.5255 -0.525 -21.1 -30.2191 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J04 positive control -0.527 -0.528 -21.4 -0.5225 -0.522 -20.98 -29.9619 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J05 positive control -0.534 -0.535 -21.68 -0.5255 -0.525 -21.1 -30.2481 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J06 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1616 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J07 positive control -0.53 -0.531 -21.52 -0.5205 -0.52 -20.9 -29.9911 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J08 positive control -0.532 -0.533 -21.6 -0.5195 -0.519 -20.85 -30.0202 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J09 positive control -0.528 -0.529 -21.44 -0.5225 -0.522 -20.98 -29.9909 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J10 positive control -0.53 -0.531 -21.52 -0.5245 -0.524 -21.06 -30.1047 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J11 positive control -0.527 -0.528 -21.4 -0.5185 -0.518 -20.81 -29.8486 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J12 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2186 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J13 positive control -0.534 -0.535 -21.68 -0.5275 -0.527 -21.18 -30.3046 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J14 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J15 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2186 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J16 positive control -0.533 -0.534 -21.64 -0.5275 -0.527 -21.18 -30.2759 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J17 positive control -0.53 -0.531 -21.52 -0.5255 -0.525 -21.1 -30.1333 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J18 positive control -0.534 -0.535 -21.68 -0.5305 -0.53 -21.3 -30.3901 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J19 positive control -0.529 -0.53 -21.48 -0.5275 -0.527 -21.18 -30.1612 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J20 positive control -0.53 -0.531 -21.52 -0.5275 -0.527 -21.18 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J21 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.333 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J22 positive control -0.534 -0.535 -21.68 -0.5315 -0.531 -21.34 -30.4185 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J23 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5039 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos J24 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5042 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K01 positive control -0.524 -0.525 -21.28 -0.5185 -0.518 -20.81 -29.7626 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K02 positive control -0.532 -0.533 -21.6 -0.5235 -0.523 -21.02 -30.134 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K03 positive control -0.527 -0.528 -21.4 -0.5205 -0.52 -20.9 -29.9051 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K04 positive control -0.529 -0.53 -21.48 -0.5255 -0.525 -21.1 -30.1047 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K05 positive control -0.529 -0.53 -21.48 -0.5255 -0.525 -21.1 -30.1044 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K06 positive control -0.526 -0.527 -21.36 -0.5235 -0.523 -21.02 -29.9616 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K07 positive control -0.538 -0.539 -21.84 -0.5315 -0.531 -21.34 -30.5332 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K08 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3046 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K09 positive control -0.533 -0.534 -21.64 -0.5195 -0.519 -20.85 -30.049 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K10 positive control -0.526 -0.527 -21.36 -0.5225 -0.522 -20.98 -29.9335 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K11 positive control -0.528 -0.529 -21.44 -0.5265 -0.526 -21.14 -30.1042 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K12 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K13 positive control -0.534 -0.535 -21.68 -0.5325 -0.532 -21.38 -30.4469 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K14 positive control -0.527 -0.528 -21.4 -0.5245 -0.524 -21.06 -30.0187 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K15 positive control -0.528 -0.529 -21.44 -0.5235 -0.523 -21.02 -30.0191 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K16 positive control -0.529 -0.53 -21.48 -0.5245 -0.524 -21.06 -30.076 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K17 positive control -0.534 -0.535 -21.68 -0.5315 -0.531 -21.34 -30.4185 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K18 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K19 positive control -0.532 -0.533 -21.6 -0.5255 -0.525 -21.1 -30.1905 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K20 positive control -0.537 -0.538 -21.8 -0.5335 -0.533 -21.42 -30.5613 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K21 positive control -0.535 -0.536 -21.72 -0.5325 -0.532 -21.38 -30.4756 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K22 positive control -0.534 -0.535 -21.68 -0.5325 -0.532 -21.38 -30.4469 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K23 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos K24 positive control -0.541 -0.542 -21.97 -0.5385 -0.538 -21.62 -30.818 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L01 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5039 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L02 positive control -0.53 -0.531 -21.52 -0.5155 -0.515 -20.69 -29.8494 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L03 positive control -0.529 -0.53 -21.48 -0.5245 -0.524 -21.06 -30.0763 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L04 positive control -0.528 -0.529 -21.44 -0.5255 -0.525 -21.1 -30.0759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L05 positive control -0.53 -0.531 -21.52 -0.5275 -0.527 -21.18 -30.1899 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L06 positive control -0.527 -0.528 -21.4 -0.5205 -0.52 -20.9 -29.9054 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L07 positive control -0.528 -0.529 -21.44 -0.5215 -0.521 -20.94 -29.9622 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L08 positive control -0.532 -0.533 -21.6 -0.5265 -0.526 -21.14 -30.2191 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L09 positive control -0.53 -0.531 -21.52 -0.5245 -0.524 -21.06 -30.1047 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L10 positive control -0.533 -0.534 -21.64 -0.5315 -0.531 -21.34 -30.3895 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L11 positive control -0.528 -0.529 -21.44 -0.5265 -0.526 -21.14 -30.1046 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L12 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L13 positive control -0.526 -0.527 -21.36 -0.5235 -0.523 -21.02 -29.962 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L14 positive control -0.527 -0.528 -21.4 -0.5265 -0.526 -21.14 -30.0758 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L15 positive control -0.529 -0.53 -21.48 -0.5235 -0.523 -21.02 -30.0479 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L16 positive control -0.531 -0.532 -21.56 -0.5255 -0.525 -21.1 -30.1621 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L17 positive control -0.53 -0.531 -21.52 -0.5255 -0.525 -21.1 -30.1331 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L18 positive control -0.527 -0.528 -21.4 -0.5245 -0.524 -21.06 -30.019 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L19 positive control -0.535 -0.536 -21.72 -0.5245 -0.524 -21.06 -30.2481 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L20 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L21 positive control -0.535 -0.536 -21.72 -0.5335 -0.533 -21.42 -30.504 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L22 positive control -0.532 -0.533 -21.6 -0.5305 -0.53 -21.3 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L23 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos L24 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M01 positive control -0.527 -0.528 -21.4 -0.5205 -0.52 -20.9 -29.9054 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M02 positive control -0.522 -0.523 -21.19 -0.5155 -0.515 -20.69 -29.6197 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M03 positive control -0.527 -0.528 -21.4 -0.5225 -0.522 -20.98 -29.9622 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M04 positive control -0.526 -0.527 -21.36 -0.5125 -0.512 -20.57 -29.6492 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M05 positive control -0.526 -0.527 -21.36 -0.5135 -0.513 -20.61 -29.6776 -0.9998 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M06 positive control -0.527 -0.528 -21.4 -0.5265 -0.526 -21.14 -30.0755 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M07 positive control -0.524 -0.525 -21.28 -0.5215 -0.521 -20.94 -29.8475 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M08 positive control -0.532 -0.533 -21.6 -0.5275 -0.527 -21.18 -30.2473 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M09 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2757 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M10 positive control -0.531 -0.532 -21.56 -0.5285 -0.528 -21.22 -30.247 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M11 positive control -0.527 -0.528 -21.4 -0.5235 -0.523 -21.02 -29.9903 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M12 positive control -0.53 -0.531 -21.52 -0.5295 -0.529 -21.26 -30.2467 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M13 positive control -0.53 -0.531 -21.52 -0.5245 -0.524 -21.06 -30.1047 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M14 positive control -0.528 -0.529 -21.44 -0.5245 -0.524 -21.06 -30.0474 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M15 positive control -0.526 -0.527 -21.36 -0.5235 -0.523 -21.02 -29.9616 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M16 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M17 positive control -0.531 -0.532 -21.56 -0.5285 -0.528 -21.22 -30.247 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M18 positive control -0.529 -0.53 -21.48 -0.5265 -0.526 -21.14 -30.1328 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M19 positive control -0.529 -0.53 -21.48 -0.5255 -0.525 -21.1 -30.1044 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M20 positive control -0.535 -0.536 -21.72 -0.5315 -0.531 -21.34 -30.4473 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M21 positive control -0.53 -0.531 -21.52 -0.5285 -0.528 -21.22 -30.2183 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M22 positive control -0.535 -0.536 -21.72 -0.5315 -0.531 -21.34 -30.4469 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M23 positive control -0.531 -0.532 -21.56 -0.5285 -0.528 -21.22 -30.2473 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos M24 positive control -0.543 -0.544 -22.05 -0.5395 -0.539 -21.66 -30.9037 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N01 positive control -0.537 -0.538 -21.8 -0.5335 -0.533 -21.42 -30.561 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N02 positive control -0.534 -0.535 -21.68 -0.5295 -0.529 -21.26 -30.3614 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N03 positive control -0.528 -0.529 -21.44 -0.5245 -0.524 -21.06 -30.0474 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N04 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N05 positive control -0.529 -0.53 -21.48 -0.5265 -0.526 -21.14 -30.1328 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N06 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N07 positive control -0.53 -0.531 -21.52 -0.5275 -0.527 -21.18 -30.1899 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N08 positive control -0.537 -0.538 -21.8 -0.5355 -0.535 -21.5 -30.6178 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N09 positive control -0.538 -0.539 -21.84 -0.5355 -0.535 -21.5 -30.6465 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N10 positive control -0.529 -0.53 -21.48 -0.5275 -0.527 -21.18 -30.1615 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N11 positive control -0.532 -0.533 -21.6 -0.5295 -0.529 -21.26 -30.304 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N12 positive control -0.529 -0.53 -21.48 -0.5265 -0.526 -21.14 -30.133 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N13 positive control -0.526 -0.527 -21.36 -0.5235 -0.523 -21.02 -29.962 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N14 positive control -0.524 -0.525 -21.28 -0.5225 -0.522 -20.98 -29.8762 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N15 positive control -0.531 -0.532 -21.56 -0.5325 -0.532 -21.38 -30.3606 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N16 positive control -0.526 -0.527 -21.36 -0.5295 -0.529 -21.26 -30.1323 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N17 positive control -0.531 -0.532 -21.56 -0.5315 -0.531 -21.34 -30.3325 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N18 positive control -0.53 -0.531 -21.52 -0.5275 -0.527 -21.18 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N19 positive control -0.536 -0.537 -21.76 -0.5305 -0.53 -21.3 -30.4471 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N20 positive control -0.535 -0.536 -21.72 -0.5285 -0.528 -21.22 -30.362 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N21 positive control -0.532 -0.533 -21.6 -0.5265 -0.526 -21.14 -30.2189 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N22 positive control -0.534 -0.535 -21.68 -0.5285 -0.528 -21.22 -30.333 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N23 positive control -0.532 -0.533 -21.6 -0.5275 -0.527 -21.18 -30.2475 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos N24 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5042 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O01 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O02 positive control -0.525 -0.526 -21.32 -0.5215 -0.521 -20.94 -29.8761 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O03 positive control -0.527 -0.528 -21.4 -0.5225 -0.522 -20.98 -29.9619 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O04 positive control -0.526 -0.527 -21.36 -0.5235 -0.523 -21.02 -29.9616 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O05 positive control -0.525 -0.526 -21.32 -0.5215 -0.521 -20.94 -29.8761 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O06 positive control -0.526 -0.527 -21.36 -0.5225 -0.522 -20.98 -29.9332 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O07 positive control -0.528 -0.529 -21.44 -0.5255 -0.525 -21.1 -30.0758 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O08 positive control -0.526 -0.527 -21.36 -0.5235 -0.523 -21.02 -29.9616 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O09 positive control -0.53 -0.531 -21.52 -0.5245 -0.524 -21.06 -30.105 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O10 positive control -0.532 -0.533 -21.6 -0.5285 -0.528 -21.22 -30.2759 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O11 positive control -0.53 -0.531 -21.52 -0.5275 -0.527 -21.18 -30.1899 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O12 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3046 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O13 positive control -0.53 -0.531 -21.52 -0.5255 -0.525 -21.1 -30.1334 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O14 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1615 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O15 positive control -0.523 -0.524 -21.23 -0.5185 -0.518 -20.81 -29.7336 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O16 positive control -0.531 -0.532 -21.56 -0.5265 -0.526 -21.14 -30.1902 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O17 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2186 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O18 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O19 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O20 positive control -0.536 -0.537 -21.76 -0.5335 -0.533 -21.42 -30.5326 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O21 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O22 positive control -0.536 -0.537 -21.76 -0.5295 -0.529 -21.26 -30.4187 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O23 positive control -0.533 -0.534 -21.64 -0.5275 -0.527 -21.18 -30.2759 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos O24 positive control -0.543 -0.544 -22.05 -0.5375 -0.537 -21.58 -30.8469 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P01 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P02 positive control -0.531 -0.532 -21.56 -0.5275 -0.527 -21.18 -30.2186 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P03 positive control -0.535 -0.536 -21.72 -0.5305 -0.53 -21.3 -30.4185 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P04 positive control -0.529 -0.53 -21.48 -0.5295 -0.529 -21.26 -30.218 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P05 positive control -0.533 -0.534 -21.64 -0.5285 -0.528 -21.22 -30.3043 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P06 positive control -0.53 -0.531 -21.52 -0.5265 -0.526 -21.14 -30.1618 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P07 positive control -0.533 -0.534 -21.64 -0.5315 -0.531 -21.34 -30.3895 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P08 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5039 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P09 positive control -0.533 -0.534 -21.64 -0.5315 -0.531 -21.34 -30.3895 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P10 positive control -0.537 -0.538 -21.8 -0.5325 -0.532 -21.38 -30.5326 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P11 positive control -0.538 -0.539 -21.84 -0.5355 -0.535 -21.5 -30.6465 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P12 positive control -0.537 -0.538 -21.8 -0.5335 -0.533 -21.42 -30.561 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P13 positive control -0.529 -0.53 -21.48 -0.5255 -0.525 -21.1 -30.1044 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P14 positive control -0.529 -0.53 -21.48 -0.5255 -0.525 -21.1 -30.1044 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P15 positive control -0.532 -0.533 -21.6 -0.5295 -0.529 -21.26 -30.304 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P16 positive control -0.533 -0.534 -21.64 -0.5295 -0.529 -21.26 -30.3327 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P17 positive control -0.53 -0.531 -21.52 -0.5285 -0.528 -21.22 -30.2183 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P18 positive control -0.535 -0.536 -21.72 -0.5345 -0.534 -21.46 -30.5321 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P19 positive control -0.533 -0.534 -21.64 -0.5305 -0.53 -21.3 -30.3611 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P20 positive control -0.536 -0.537 -21.76 -0.5305 -0.53 -21.3 -30.4471 -0.9999 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P21 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5039 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P22 positive control -0.54 -0.541 -21.92 -0.5365 -0.536 -21.54 -30.7322 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P23 positive control -0.544 -0.545 -22.09 -0.5415 -0.541 -21.74 -30.9889 -1.0 1021.0020 Calc(E1-E2)(1021.0020) DihydroorotateDehydrogenase 1021.0020.Pos P24 positive control -0.536 -0.537 -21.76 -0.5325 -0.532 -21.38 -30.5039 -1.0