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 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A01 compound treatment -0.0121 -0.0121 -0.47 -0.0103 -0.0113 -0.46 -0.6612 -1.0 1463 SMP1_000001 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A02 compound treatment 9.0E-4 8.94E-4 0.03 -0.0063 -0.00735 -0.3 -0.1883 -0.6212 3414725 SMP1_000002 NC(C1CC(=NO1)Cl)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A03 compound treatment 0.0089 0.00889 0.35 0.0077 0.00669 0.27 0.4389 0.9933 3414698 SMP1_000003 CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A04 compound treatment -0.0061 -0.0061 -0.24 -0.0113 -0.0123 -0.5 -0.5247 -0.9409 3198847 SMP1_000004 CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@@H]1[C@@]3(C5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)C5[C@]4(OC(=O)C)[C@@H](O)C6OC)C(C[C@H]2O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A05 compound treatment -1.0E-4 -1.06E-4 0.0 -0.0053 -0.00635 -0.26 -0.1869 -0.7183 329 SMP1_000005 CC(C)C1NC(=O)C(NC(=O)c2ccc(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 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A06 compound treatment -0.0081 -0.00811 -0.32 -0.0103 -0.0113 -0.46 -0.551 -0.9825 3414705 SMP1_000006 CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A07 compound treatment 0.0209 0.0209 0.81 0.0187 0.0177 0.72 1.0882 0.9983 839 SMP1_000007 Nc1nc2n(COCCO)cnc2c(=O)[nH]1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A08 compound treatment -0.0031 -0.00311 -0.12 -0.0043 -0.00535 -0.22 -0.2405 -0.9608 1000141 SMP1_000008 OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A09 compound treatment -0.0151 -0.0151 -0.59 -0.0163 -0.0173 -0.71 -0.9177 -0.9957 756 SMP1_000009 CCCCCCc1ccc(O)cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A10 compound treatment -0.0061 -0.0061 -0.24 -0.0113 -0.0123 -0.5 -0.5246 -0.941 907119 SMP1_000010 CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A11 compound treatment -0.0021 -0.00211 -0.08 -0.0013 -0.00235 -0.1 -0.1262 -0.9968 3074205 SMP1_000011 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A12 compound treatment 0.0029 0.00289 0.11 -0.0043 -0.00535 -0.22 -0.0753 -0.3053 1606 SMP1_000012 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A13 compound treatment -0.0111 -0.0111 -0.43 -0.0023 -0.00335 -0.14 -0.403 -0.8878 209 SMP1_000013 CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4cc(O)ccc34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(=O)N)C(=O)N5CC(O)CC5C(=O)NC(C(C)C(O)CO)C(=O)N2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A14 compound treatment -0.0201 -0.0201 -0.78 -0.0203 -0.0213 -0.87 -1.1711 -0.9985 1000229 SMP1_000014 Nc1c(Br)cc(Br)cc1CN[C@H]2CC[C@H](O)CC2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A15 compound treatment -1.0E-4 -1.06E-4 0.0 -0.0023 -0.00335 -0.14 -0.0999 -0.7281 3198849 SMP1_000015 NCCC(O)C(=O)N[C@@H]1C[C@H](N)C(O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A16 compound treatment -0.0061 -0.0061 -0.24 -0.0083 -0.00931 -0.38 -0.4377 -0.974 3074259 SMP1_000016 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A17 compound treatment 0.0019 0.0019 0.07 7.0E-4 -3.48E-4 -0.01 0.0424 0.561 1469 SMP1_000017 CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A18 compound treatment -0.0061 -0.00611 -0.24 -0.0143 -0.0153 -0.63 -0.6118 -0.9119 3074401 SMP1_000018 CN(C)CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H](O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A19 compound treatment 0.0059 0.0059 0.23 0.0097 0.00861 0.35 0.4122 0.9785 880 SMP1_000019 CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A20 compound treatment -0.0041 -0.00411 -0.16 -0.0053 -0.00635 -0.26 -0.2971 -0.9727 2141034 SMP1_000020 NC(CCCNN=CN[C@@H](CC(=O)O)C(=O)O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A21 compound treatment -0.0201 -0.0201 -0.78 -0.0213 -0.0223 -0.91 -1.2001 -0.997 3074462 SMP1_000021 NCC(O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A22 mock treatment -0.0151 -0.0151 -0.59 -0.1308 -0.132 -5.4 -4.2368 -0.7795 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A23 mock treatment 9.0E-4 8.94E-4 0.03 -0.0033 -0.00435 -0.18 -0.1015 -0.5585 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 A24 mock treatment -0.0271 -0.0271 -1.06 -0.0263 -0.0273 -1.12 -1.5381 -0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B01 compound treatment 0.0019 0.00189 0.07 -0.0033 -0.00435 -0.18 -0.0738 -0.3828 3198851 SMP1_000022 OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B02 compound treatment 0.0129 0.0129 0.5 0.0057 0.00465 0.19 0.4899 0.9119 2117676 SMP1_000023 COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(=O)C)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B03 compound treatment 0.0229 0.0229 0.89 0.0197 0.0187 0.77 1.1722 0.9971 2141035 SMP1_000024 Cn1cncc1CC(NC(=O)CCN)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B04 compound treatment 0.0259 0.0259 1.01 0.0187 0.0177 0.73 1.226 0.9869 154 SMP1_000025 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]3C[C@@H]4C[C@@]32CC[C@]4(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B05 compound treatment 0.0289 0.0289 1.13 0.0247 0.0237 0.97 1.4824 0.9973 2141036 SMP1_000026 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](O)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 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B06 compound treatment -0.0581 -0.0581 -2.26 -0.0593 -0.0603 -2.47 -3.3493 -0.999 899 SMP1_000027 CN1CCc2cccc-3c2[C@H]1Cc4ccc(O)c(O)c43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B07 compound treatment 0.0159 0.0159 0.62 0.0137 0.0127 0.52 0.8055 0.9962 3174242 SMP1_000028 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B08 compound treatment 0.0279 0.0279 1.09 0.0217 0.0207 0.85 1.3681 0.9925 3198852 SMP1_000029 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2ccc(=O)[nH]c2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B09 compound treatment 0.0109 0.0109 0.42 0.0107 0.00965 0.4 0.5798 0.9994 2060 SMP1_000030 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B10 compound treatment 0.0189 0.0189 0.74 0.0127 0.0117 0.48 0.8593 0.9784 1000124 SMP1_000031 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B11 compound treatment 0.0089 0.00889 0.35 0.0037 0.00265 0.11 0.3219 0.8863 3074586 SMP1_000032 C[C@H]1[C@H]2[C@H](OC1=O)C3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B12 compound treatment 0.0029 0.00289 0.11 -3.0E-4 -0.00135 -0.06 0.0407 0.3239 3198853 SMP1_000033 COC(=O)[C@@]1(C)OC[C@]2([C@H]3[C@H]4OC[C@@]3([C@@H](C[C@@H]2OC(=O)/C(=C\C)/C)OC(=O)C)C(=O)OC)[C@@H]1[C@@](C)([C@@H]4O)[C@@]56OC6(C)C7C[C@H]5OC8OC=CC78O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B13 compound treatment 0.0139 0.0139 0.54 0.0107 0.00969 0.4 0.6636 0.9884 3198854 SMP1_000034 CC(=O)OC1C2=C(C)C(O)C3(C)CC4(O)C(OC(=O)c5ccccc5)C6C7(COC7C8(C)CC(O)C(C)(C1=O)C68C234)OC(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B14 compound treatment 0.0289 0.0289 1.13 0.0287 0.0277 1.13 1.5987 1.0 3198855 SMP1_000035 CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)C[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B15 compound treatment 0.0129 0.0129 0.5 0.0127 0.0117 0.48 0.694 0.9997 678 SMP1_000036 NCC(CC(=O)O)c1ccc(Cl)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B16 compound treatment -0.2346 -0.235 -9.14 -0.2438 -0.245 -10.03 -13.5581 -0.9989 1950 SMP1_000037 Oc1cc2oc(cc(=O)c2c(O)c1O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B17 compound treatment 0.0249 0.0249 0.97 0.0187 0.0177 0.73 1.1985 0.9897 3074655 SMP1_000038 COC1C=CC=C(C)CC(C)C(O)C(C)C=C(C)C=C(OC)C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](O2)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B18 compound treatment 0.0139 0.0139 0.54 0.0127 0.0117 0.48 0.7216 0.9982 3074707 SMP1_000039 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B19 compound treatment 0.0119 0.0119 0.46 0.0087 0.00769 0.32 0.5506 0.9824 900 SMP1_000040 CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B20 compound treatment 0.0099 0.00989 0.39 0.0107 0.00969 0.4 0.5533 0.9999 3471542 SMP1_000041 CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B21 compound treatment 0.0149 0.0149 0.58 0.0127 0.0117 0.48 0.7492 0.9955 952 SMP1_000042 CC(C)(S)[C@@H](N)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B22 mock treatment -0.0031 -0.00311 -0.12 7.0E-4 -3.52E-4 -0.01 -0.0957 -0.7858 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B23 mock treatment 0.0169 0.0169 0.66 0.0167 0.0157 0.64 0.9201 0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 B24 mock treatment 0.0109 0.0109 0.42 0.0127 0.0117 0.48 0.6388 0.9982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C01 compound treatment -0.0021 -0.00211 -0.08 -0.0013 -0.00235 -0.1 -0.1261 -0.9969 3068885 SMP1_000043 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C02 compound treatment 0.0059 0.0059 0.23 7.0E-4 -3.5E-4 -0.01 0.1523 0.6617 2110 SMP1_000044 C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(=C[C@@]14C3=O)C)C2(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C03 compound treatment 0.0039 0.0039 0.15 -0.0013 -0.00235 -0.1 0.0395 0.2195 1602 SMP1_000045 COc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C04 compound treatment 0.0199 0.0199 0.78 0.0207 0.0196 0.8 1.1166 0.9998 1000140 SMP1_000046 CC[C@@H]1OC(OC(C(NC(=O)c2nc(nc(N)c2C)C(CC(=O)N)NCC(N)C(=O)N)C(=O)NC(C)C(O)C(C)C(=O)NC(C(C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCCNC(=N)N)c5c[nH]cn5)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]6O)[C@@H](C)[C@@H]1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C05 compound treatment 0.0209 0.0209 0.81 0.0167 0.0157 0.64 1.0303 0.9932 1737132 SMP1_000047 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C06 compound treatment -0.0031 -0.00311 -0.12 -0.0053 -0.00631 -0.26 -0.2684 -0.9402 3176860 SMP1_000048 C[C@H]1CCC/C=C/C2C[C@H](O)C[C@@]2(O)C/C=C/C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C07 compound treatment -1.0E-4 -1.06E-4 0.0 -0.0053 -0.00635 -0.26 -0.1869 -0.7183 404 SMP1_000049 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C08 compound treatment 0.0089 0.0089 0.35 0.0027 0.00165 0.07 0.293 0.8295 2069232 SMP1_000050 NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C09 compound treatment 0.0229 0.0229 0.89 0.0227 0.0216 0.89 1.2573 1.0 1055735 SMP1_000051 OC(=O)c1cc2ccccc2c(N=Nc3c(O)cc(c4ccccc34)S(=O)(=O)O)c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C10 compound treatment -0.0011 -0.0011 -0.04 7.0E-4 -3.48E-4 -0.01 -0.0403 -0.8946 3198857 SMP1_000052 CC(O)C1(C)CCC(O1)C2(C)CCC(CC(O)C(C)C(O)C(C)/C=C/CC(C)CC(C)C(=O)CC(=O)C(C)CC(C)CC(C)CCC(=O)O)O2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C11 compound treatment 0.0029 0.00289 0.11 -0.0033 -0.00435 -0.18 -0.0463 -0.2195 3198858 SMP1_000053 COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(C=CC[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=C(C)C(=CC=CC(=CC#N)C)C)OC)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C12 compound treatment 0.0059 0.00589 0.23 -0.0023 -0.00335 -0.14 0.0654 0.2443 1014 SMP1_000054 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C13 compound treatment 0.0019 0.00189 0.07 -0.0053 -0.00635 -0.26 -0.1318 -0.4874 2431 SMP1_000055 CCN(CC)CCNC(=O)c1ccc(N)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C14 compound treatment -0.0061 -0.00611 -0.24 -0.0103 -0.0113 -0.46 -0.4959 -0.952 861 SMP1_000056 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C15 compound treatment -0.0191 -0.0191 -0.74 -0.0213 -0.0223 -0.91 -1.1728 -0.9948 1000171 SMP1_000057 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C16 compound treatment 0.0109 0.0109 0.42 0.0077 0.00669 0.27 0.494 0.9777 3198859 SMP1_000058 Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C17 compound treatment 0.0089 0.00889 0.35 0.0027 0.00169 0.07 0.294 0.8321 379 SMP1_000059 O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C18 compound treatment 0.0049 0.00489 0.19 -3.0E-4 -0.00135 -0.06 0.0958 0.4824 1733214 SMP1_000060 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C19 compound treatment 0.0029 0.0029 0.11 7.0E-4 -3.48E-4 -0.01 0.0697 0.613 3187753 SMP1_000061 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C20 compound treatment -0.0041 -0.00411 -0.16 -0.0073 -0.00835 -0.34 -0.3551 -0.94 994 SMP1_000062 N[C@@H](CCONC(=N)N)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C21 compound treatment -0.0031 -0.00311 -0.12 -0.0053 -0.00635 -0.26 -0.2695 -0.9394 349 SMP1_000063 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C22 mock treatment -0.0111 -0.0111 -0.43 -0.0063 -0.00735 -0.3 -0.519 -0.9843 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C23 mock treatment -0.0071 -0.00711 -0.28 -0.0083 -0.00935 -0.38 -0.4668 -0.9873 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 C24 mock treatment -0.0011 -0.00111 -0.04 -3.0E-4 -0.00135 -0.06 -0.0697 -0.9922 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D01 compound treatment 0.0019 0.0019 0.07 -0.0023 -0.00335 -0.14 -0.0448 -0.2873 1000071 SMP1_000064 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 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D02 compound treatment -1.0E-4 -1.06E-4 0.0 -0.0023 -0.00335 -0.14 -0.0999 -0.7281 1160 SMP1_000065 OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D03 compound treatment 0.0029 0.0029 0.11 0.0017 6.52E-4 0.03 0.0989 0.8508 3074003 SMP1_000066 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D04 compound treatment -0.0121 -0.0121 -0.47 -0.0143 -0.0153 -0.63 -0.7768 -0.9901 3198950 SMP1_000067 CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D05 compound treatment -0.0291 -0.0291 -1.13 -0.0303 -0.0314 -1.29 -1.7111 -0.998 2838 SMP1_000068 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CCC3=C)/CCC[C@]12C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D06 compound treatment 9.0E-4 8.94E-4 0.03 -0.0043 -0.00531 -0.22 -0.1292 -0.5865 3198951 SMP1_000069 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D07 compound treatment 0.0049 0.00489 0.19 7.0E-4 -3.52E-4 -0.01 0.1246 0.6518 1225 SMP1_000070 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D08 compound treatment 9.0E-4 8.94E-4 0.03 -0.0043 -0.00535 -0.22 -0.1305 -0.5875 1268 SMP1_000071 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D09 compound treatment -0.0161 -0.0161 -0.63 -0.0223 -0.0233 -0.96 -1.1191 -0.9792 1010377 SMP1_000072 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D10 compound treatment -0.0021 -0.0021 -0.08 -0.0053 -0.00635 -0.26 -0.2417 -0.8865 1999 SMP1_000073 Oc1c(I)cc(Cl)c2cccnc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D11 compound treatment 0.0179 0.0179 0.7 0.0157 0.0147 0.6 0.9187 0.9973 359 SMP1_000074 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D12 compound treatment -0.0061 -0.00611 -0.24 -0.0113 -0.0123 -0.51 -0.526 -0.9408 2141037 SMP1_000075 O[C@H](COc1cccc(Cl)c1)/C=C/[C@@H]2[C@@H](O)C[C@@H](O)[C@H]2C/C=C\CCCC(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D13 compound treatment 0.0069 0.00689 0.27 0.0017 6.52E-4 0.03 0.2088 0.7737 1001919 SMP1_000076 CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c3ccc(OC)c(=O)cc13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D14 compound treatment -0.0051 -0.00511 -0.2 -0.0113 -0.0123 -0.5 -0.4974 -0.9172 3177244 SMP1_000077 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D15 compound treatment -0.0131 -0.0131 -0.51 -0.0203 -0.0213 -0.87 -0.9785 -0.9673 3198953 SMP1_000078 C[C@@H]1O[C@@H](OC2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CCC5(O)[C@@H]4CCC3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D16 compound treatment -0.0021 -0.00211 -0.08 -0.0053 -0.00635 -0.26 -0.242 -0.887 3054850 SMP1_000079 C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D17 compound treatment -0.0091 -0.00911 -0.35 -0.0103 -0.0113 -0.47 -0.5797 -0.9911 450 SMP1_000080 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D18 compound treatment -0.0031 -0.00311 -0.12 -0.0063 -0.00735 -0.3 -0.2985 -0.9198 2141038 SMP1_000081 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)C23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D19 compound treatment 0.0049 0.0049 0.19 0.0047 0.00365 0.15 0.2409 0.9927 2081006 SMP1_000082 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D20 compound treatment 0.0039 0.00389 0.15 0.0047 0.00365 0.15 0.2131 1.0 3074156 SMP1_000083 CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D21 compound treatment -0.0151 -0.0151 -0.59 -0.0143 -0.0153 -0.63 -0.8598 -0.9995 3382 SMP1_000084 Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D22 mock treatment 0.0119 0.0119 0.46 0.0087 0.00765 0.31 0.5493 0.9819 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D23 mock treatment -0.0021 -0.00211 -0.08 -0.0033 -0.00435 -0.18 -0.184 -0.9381 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 D24 mock treatment 0.0029 0.00289 0.11 0.0017 6.52E-4 0.03 0.0986 0.8511 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E01 compound treatment 0.0079 0.00789 0.31 0.0067 0.00565 0.23 0.3812 0.9902 3198954 SMP1_000085 CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E02 compound treatment 0.0269 0.0269 1.05 0.0227 0.0217 0.89 1.3698 0.9966 2141039 SMP1_000086 CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E03 compound treatment -0.0031 -0.0031 -0.12 -0.0063 -0.00735 -0.3 -0.2982 -0.9194 3198955 SMP1_000087 CC1C2C(Cc3ccccc3)NC(=O)C42OC(=O)C=CC(=O)CCCC(C)CC=CC4C(O)C1=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E04 compound treatment 0.0189 0.0189 0.74 0.0177 0.0167 0.68 1.0042 0.9993 3414684 SMP1_000088 CC1C2C(Cc3ccccc3)NC(=O)C42OC(=O)C=CC(O)CCCC(C)CC=CC4C(O)C1=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E05 compound treatment 0.0199 0.0199 0.78 0.0217 0.0207 0.85 1.1477 0.999 592 SMP1_000089 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E06 compound treatment 0.0219 0.0219 0.85 0.0167 0.0157 0.64 1.0578 0.9903 3198956 SMP1_000090 CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](O)[C@@]3(C)O[C@](C)(CC(=O)C32)C=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E07 compound treatment 0.0279 0.0279 1.09 0.0247 0.0237 0.97 1.455 0.9984 1451 SMP1_000091 CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E08 compound treatment 0.0299 0.0299 1.16 0.0267 0.0257 1.05 1.5681 0.9987 2081077 SMP1_000092 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E09 compound treatment 0.0229 0.0229 0.89 0.0177 0.0167 0.68 1.1144 0.9914 832268 SMP1_000093 NC(=N)c1ccc(cc1)c2cc3ccc(cc3[nH]2)C(=N)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E10 compound treatment 0.0219 0.0219 0.85 0.0177 0.0167 0.68 1.0869 0.994 2080198 SMP1_000094 CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E11 compound treatment -0.0081 -0.00811 -0.32 -0.0143 -0.0153 -0.63 -0.6669 -0.9496 2141040 SMP1_000095 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cc(Cl)c(Cl)cc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E12 compound treatment 0.0149 0.0149 0.58 0.0087 0.00769 0.32 0.6332 0.9589 3074726 SMP1_000096 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E13 compound treatment 0.0219 0.0219 0.85 0.0117 0.0107 0.44 0.9118 0.9516 3198957 SMP1_000097 C[C@H]1OC(C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)OC(C[C@@H]2O)O[C@@H]3[C@@H](C)OC(C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E14 compound treatment -0.0021 -0.00211 -0.08 -0.0063 -0.00735 -0.3 -0.271 -0.8681 2080186 SMP1_000098 CC=CCC=CCCC(=O)C1OC1C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E15 compound treatment 0.0389 0.0389 1.52 0.0337 0.0327 1.34 2.0189 0.9981 3074733 SMP1_000099 Nc1nc(=O)c2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2[nH]1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E16 compound treatment 0.0129 0.0129 0.5 0.0077 0.00669 0.27 0.5491 0.9595 3472295 SMP1_000100 COc1c(O)cc2C(=O)OC3C(O)C(O)C(CO)OC3c2c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E17 compound treatment 0.0109 0.0109 0.42 0.0067 0.00569 0.23 0.4651 0.9603 2141041 SMP1_000101 CCCCCCCCCCCCC/C=C/C(O)C(N)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E18 compound treatment -0.0926 -0.0926 -3.61 -0.0793 -0.0803 -3.29 -4.8793 -0.999 3074792 SMP1_000102 CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C(=CC=C3C[C@H](O)CC[C@@H]3C)CCC[C@]12C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E19 compound treatment 0.0059 0.00589 0.23 0.0047 0.00365 0.15 0.2682 0.9785 2141042 SMP1_000103 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E20 compound treatment 0.0139 0.0139 0.54 0.0107 0.00969 0.4 0.6636 0.9884 3198959 SMP1_000104 CO/N=C(/C(=O)N[C@H]1C2SCC(=C(N2C1=O)C(=O)O)CSc3nc(=O)c(O)nn3C)\c4csc(N)n4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E21 compound treatment 0.0189 0.0189 0.74 0.0157 0.0147 0.6 0.9463 0.995 3198960 SMP1_000105 CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E22 mock treatment 0.0149 0.0149 0.58 0.0167 0.0157 0.64 0.8649 0.9987 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E23 mock treatment 0.0119 0.0119 0.46 0.0157 0.0147 0.6 0.7533 0.9916 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 E24 mock treatment 0.0049 0.00489 0.19 0.0067 0.00569 0.23 0.2998 0.995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F01 compound treatment 0.0019 0.00189 0.07 7.0E-4 -3.48E-4 -0.01 0.0421 0.5601 1000279 SMP1_000106 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F02 compound treatment 0.0089 0.0089 0.35 0.0057 0.00465 0.19 0.3801 0.9603 980 SMP1_000107 C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F03 compound treatment 0.0149 0.0149 0.58 0.0107 0.00969 0.4 0.6912 0.9829 697 SMP1_000108 Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F04 compound treatment 0.0019 0.00189 0.07 7.0E-4 -3.48E-4 -0.01 0.0421 0.5601 1001936 SMP1_000109 C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F05 compound treatment 0.0329 0.0329 1.28 0.0277 0.0267 1.09 1.6796 0.9969 3074864 SMP1_000110 CC(C)[C@@]12O[C@H]2[C@@H]3O[C@]34[C@]5(O[C@H]5CC6C7=C(CC[C@@]64C)C(=O)OC7)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F06 compound treatment 0.0359 0.0359 1.4 0.0277 0.0266 1.09 1.7603 0.9924 598 SMP1_000111 Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F07 compound treatment 0.0089 0.00889 0.35 7.0E-4 -3.48E-4 -0.01 0.2349 0.6774 3198961 SMP1_000112 CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F08 compound treatment 0.0239 0.0239 0.93 0.0187 0.0177 0.73 1.171 0.9924 1048 SMP1_000113 CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F09 compound treatment -0.0161 -0.0161 -0.63 -0.0213 -0.0223 -0.92 -1.091 -0.9829 907310 SMP1_000114 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F10 compound treatment 0.0249 0.0249 0.97 0.0167 0.0156 0.64 1.1385 0.9796 1001923 SMP1_000115 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F11 compound treatment -0.0181 -0.0181 -0.71 -0.0183 -0.0194 -0.79 -1.0604 -0.9982 2141043 SMP1_000116 NC(=C(C#N)C#N)C(=Cc1ccc2[nH]ccc2c1)C#N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F12 compound treatment 0.0099 0.00989 0.39 0.0037 0.00269 0.11 0.3506 0.8744 3074929 SMP1_000117 CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CCC2C(=CC=C3C[C@@H](O)CCC3=C)CCC[C@]12C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F13 compound treatment 0.0289 0.0289 1.13 0.0207 0.0197 0.81 1.3666 0.9867 2965 SMP1_000118 C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F14 compound treatment 0.0099 0.00989 0.39 0.0017 6.52E-4 0.03 0.2915 0.7543 935 SMP1_000119 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F15 compound treatment 0.0029 0.0029 0.11 -0.0073 -0.00835 -0.34 -0.1621 -0.45 1532 SMP1_000120 OC[C@H]1O[C@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F16 compound treatment 0.0179 0.0179 0.7 0.0127 0.0117 0.48 0.8318 0.9833 386 SMP1_000121 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CC[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F17 compound treatment 0.0069 0.00689 0.27 0.0027 0.00165 0.07 0.2378 0.8585 3188281 SMP1_000122 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2C[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F18 compound treatment 0.0069 0.00689 0.27 0.0027 0.00165 0.07 0.2378 0.8585 3060043 SMP1_000123 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F19 compound treatment 0.0109 0.0109 0.42 0.0097 0.00869 0.36 0.552 0.9962 3073959 SMP1_000124 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(O[C@H]4O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F20 compound treatment 0.0179 0.0179 0.7 0.0137 0.0127 0.52 0.8607 0.9896 757 SMP1_000125 OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F21 compound treatment 0.0049 0.00489 0.19 0.0017 6.52E-4 0.03 0.1537 0.7984 3198963 SMP1_000126 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]61CC[C@H](C)CN6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F22 mock treatment 0.0049 0.00489 0.19 0.0037 0.00265 0.11 0.2117 0.9645 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F23 mock treatment 0.0199 0.0199 0.78 0.0177 0.0167 0.68 1.0318 0.9981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 F24 mock treatment -1.0E-4 -1.06E-4 0.0 7.0E-4 -3.54E-4 -0.01 -0.0132 -0.8743 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G01 compound treatment 0.0109 0.0109 0.42 0.0097 0.00869 0.36 0.5519 0.9962 3187752 SMP1_000127 C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G02 compound treatment 0.0029 0.00289 0.11 -3.0E-4 -0.00135 -0.06 0.0407 0.3239 424 SMP1_000128 CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G03 compound treatment -0.0061 -0.00611 -0.24 -0.0073 -0.00831 -0.34 -0.409 -0.9846 1188 SMP1_000129 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G04 compound treatment 0.0139 0.0139 0.54 0.0097 0.00865 0.35 0.6335 0.979 3198964 SMP1_000130 C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@H]3[C@H]2[C@@H](O)CC4/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C[C@@]43C)OC(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G05 compound treatment 0.0029 0.0029 0.11 7.0E-4 -3.48E-4 -0.01 0.0697 0.613 1202 SMP1_000131 COc1ccc2CN(C)CC[C@]34C=C[C@H](O)C[C@@H]4Oc1c23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G06 compound treatment -0.0131 -0.0131 -0.51 -0.0243 -0.0253 -1.04 -1.0944 -0.9467 3419531 SMP1_000132 COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C1O)C)C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G07 compound treatment 0.0199 0.0199 0.78 0.0067 0.00569 0.23 0.713 0.8809 425 SMP1_000133 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G08 compound treatment 0.0049 0.0049 0.19 0.0037 0.00265 0.11 0.2118 0.9644 1028 SMP1_000134 Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G09 compound treatment 0.0019 0.00189 0.07 -0.0023 -0.00335 -0.14 -0.0448 -0.2877 962 SMP1_000135 CCC1(C(=O)NCNC1=O)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G10 compound treatment -0.0011 -0.00111 -0.04 -0.0043 -0.00535 -0.22 -0.1856 -0.8302 2060138 SMP1_000136 C[C@]1([C@H]2[C@H](C(=O)O)[C@]3(CC(=C)[C@@]4(O)C3)[C@@H](CC4)[C@]52OC1=O)[C@@H](O)C=C5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G11 compound treatment -1.0E-4 -1.06E-4 0.0 -0.0043 -0.00535 -0.22 -0.1579 -0.7204 2141044 SMP1_000137 C[C@@H]1C(=O)OC2[C@@H](O)[C@]34[C@H]5C[C@@H](C(C)(C)C)C46[C@@H](O)C(=O)OC6O[C@@]3(C(=O)O5)[C@@]12O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G12 compound treatment -1.0E-4 -1.01E-4 0.0 -0.0093 -0.0103 -0.42 -0.3026 -0.7137 2141045 SMP1_000138 C[C@@H]1C(=O)O[C@H]2[C@@H](O)C34[C@@H]5OC(=O)[C@]4(OC6OC(=O)[C@H](O)C63[C@@H]([C@@H]5O)C(C)(C)C)[C@@]12O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G13 compound treatment 0.0039 0.00389 0.15 -0.0043 -0.00535 -0.22 -0.0477 -0.179 3074092 SMP1_000139 C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]2(O)C[C@H](O)[C@@H]1C5=CC(=O)OC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G14 compound treatment -0.0051 -0.00511 -0.2 -0.0113 -0.0123 -0.51 -0.4985 -0.9168 936 SMP1_000140 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G15 compound treatment -0.0761 -0.0761 -2.96 -0.0843 -0.0854 -3.5 -4.5708 -0.9966 2080095 SMP1_000141 CN1C(=O)C23CC4=CC=CC(O)C4N3C(=O)C1(CO)SS2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G16 compound treatment -0.0071 -0.00711 -0.28 -0.0103 -0.0114 -0.47 -0.5247 -0.9693 1000325 SMP1_000142 C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G17 compound treatment 0.0079 0.00789 0.31 7.0E-4 -3.48E-4 -0.01 0.2074 0.6736 3074163 SMP1_000143 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)C2C(=O)C=C4[C@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G18 compound treatment -0.0051 -0.00511 -0.2 7.0E-4 -3.48E-4 -0.01 -0.1507 -0.7558 76 SMP1_000144 CC1(C)[C@@H](O)C[C@@H]2[C@]1(O)[C@H](O)C[C@@]3(C[C@@](C)(O)C4CC[C@H]3[C@@]2(C)O)[C@@H]4O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G19 compound treatment 9.0E-4 8.99E-4 0.04 -0.0033 -0.00435 -0.18 -0.1012 -0.5575 1578 SMP1_000145 CC1=NCCc2c1[nH]c3cc(O)ccc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G20 compound treatment -0.0251 -0.0251 -0.98 -0.0313 -0.0323 -1.32 -1.6279 -0.9889 818206 SMP1_000146 N[C@@H](CCCNC(=O)N)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G21 compound treatment -0.0011 -0.00111 -0.04 -0.0053 -0.00635 -0.26 -0.2145 -0.8131 1061 SMP1_000147 Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G22 mock treatment -0.0101 -0.0101 -0.39 -0.0123 -0.0133 -0.55 -0.6641 -0.9872 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G23 mock treatment -0.0031 -0.00311 -0.12 -0.0043 -0.00531 -0.22 -0.2394 -0.9617 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 G24 mock treatment -0.0271 -0.0271 -1.06 -0.0273 -0.0283 -1.16 -1.5671 -0.9989 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H01 compound treatment 9.0E-4 8.98E-4 0.03 7.0E-4 -3.5E-4 -0.01 0.0146 0.3861 1610 SMP1_000148 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H02 compound treatment -0.0131 -0.0131 -0.51 -0.0163 -0.0173 -0.71 -0.8623 -0.9869 3075213 SMP1_000149 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H03 compound treatment 0.0049 0.0049 0.19 0.0017 6.52E-4 0.03 0.154 0.7983 1651081 SMP1_000150 COc1cc(O)c2c(=O)c(coc2c1)c3ccc(O)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H04 compound treatment 0.0159 0.0159 0.62 0.0107 0.00965 0.4 0.7178 0.9765 465 SMP1_000151 NCCc1c[nH]cn1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H05 compound treatment 0.0109 0.0109 0.42 7.0E-4 -3.54E-4 -0.01 0.2899 0.6826 2141046 SMP1_000152 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H06 compound treatment 0.0019 0.00189 0.07 -0.0083 -0.00935 -0.38 -0.2187 -0.5606 3075214 SMP1_000153 C/C=C\1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(=C2)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H07 compound treatment 0.0049 0.00489 0.19 0.0017 6.52E-4 0.03 0.1537 0.7984 1105 SMP1_000154 CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H08 compound treatment -0.0111 -0.0111 -0.43 -0.0013 -0.00235 -0.1 -0.374 -0.8437 3198966 SMP1_000155 CN1=Cc2cc3OCOc3cc2CC1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H09 compound treatment 0.0049 0.00489 0.19 -0.0023 -0.00335 -0.14 0.0378 0.161 2080102 SMP1_000156 C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H10 compound treatment 0.0019 0.00189 0.07 -0.0133 -0.0143 -0.59 -0.3626 -0.6133 3198967 SMP1_000157 CC[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H11 compound treatment -0.0121 -0.0121 -0.47 -0.0143 -0.0153 -0.63 -0.7771 -0.9901 3199059 SMP1_000158 CC[C@H](C1OC([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@@]3(O[C@@]4(CC[C@](C)(O4)C5CC[C@@H](O)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H12 compound treatment -0.0021 -0.00211 -0.08 -0.0123 -0.0133 -0.55 -0.4448 -0.8042 1055159 SMP1_000159 NC(CC(=O)c1cccc(O)c1N)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H13 compound treatment 0.0049 0.00489 0.19 7.0E-4 -3.48E-4 -0.01 0.1247 0.6524 2141047 SMP1_000160 OCC1COCCOCCOCCOCCOCCO1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H14 compound treatment 0.0019 0.00189 0.07 -0.0063 -0.00735 -0.3 -0.1608 -0.5185 2141048 SMP1_000161 CCC(=C(c1ccc(O)cc1)c2ccc(OCCN(C)C)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H15 compound treatment 9.0E-4 8.94E-4 0.03 -0.0023 -0.00335 -0.14 -0.0725 -0.5116 718 SMP1_000162 Cn1c(=O)n(C)c2ncn(CCO)c2c1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H16 compound treatment -1.0E-4 -1.01E-4 0.0 -0.0053 -0.00635 -0.26 -0.1868 -0.7178 3199060 SMP1_000163 CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@@H]32)O[C@H]([C@H](N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H17 compound treatment 0.0069 0.00689 0.27 0.0037 0.00265 0.11 0.2668 0.9207 3075215 SMP1_000164 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H18 compound treatment -0.0151 -0.0151 -0.59 -0.0163 -0.0173 -0.71 -0.9177 -0.9957 2141049 SMP1_000165 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(=O)[nH]cnc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H19 compound treatment -0.0071 -0.00711 -0.28 -0.0103 -0.0113 -0.46 -0.5235 -0.9697 2141050 SMP1_000166 O[C@@H]1COC2[C@H](O)COC12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H20 compound treatment -0.0041 -0.00411 -0.16 -0.0083 -0.00935 -0.38 -0.3841 -0.9249 760 SMP1_000167 N[C@@H]1CONC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H21 mock treatment -0.0041 -0.00411 -0.16 -0.0073 -0.00831 -0.34 -0.3539 -0.9407 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H22 mock treatment -0.0021 -0.0021 -0.08 -0.0033 -0.00435 -0.18 -0.1837 -0.9374 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H23 mock treatment -0.0091 -0.00911 -0.35 -0.0093 -0.0103 -0.42 -0.5496 -0.9962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 H24 mock treatment -0.0011 -0.00111 -0.04 -3.0E-4 -0.00135 -0.06 -0.0697 -0.9922 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I01 compound treatment 0.0089 0.00889 0.35 0.0087 0.00769 0.32 0.4679 0.9989 422 SMP1_000168 Oc1cccc2C(=O)C=CC(=O)c12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I02 compound treatment -0.0011 -0.00111 -0.04 -0.0063 -0.00731 -0.3 -0.2422 -0.8006 1476 SMP1_000169 CNCCCC1(CCC2c3ccccc31)c4ccccc24 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I03 compound treatment 0.0199 0.0199 0.78 0.0177 0.0167 0.68 1.0316 0.9981 3172730 SMP1_000170 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4ccco4)ncnc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I04 compound treatment 0.0019 0.0019 0.07 -0.0013 -0.00235 -0.1 -0.0156 -0.1283 1506 SMP1_000171 OCc1cc(=O)c(O)co1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I05 compound treatment -0.0011 -0.0011 -0.04 -0.0053 -0.00635 -0.26 -0.2144 -0.8128 949 SMP1_000172 OC(=O)c1cc(O)c2ccccc2n1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I06 compound treatment 9.0E-4 9.04E-4 0.04 -0.0113 -0.0123 -0.5 -0.3318 -0.6562 439 SMP1_000173 CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(=O)C)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I07 compound treatment -0.0031 -0.0031 -0.12 -0.0083 -0.00935 -0.38 -0.3564 -0.8871 3199061 SMP1_000174 OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I08 compound treatment -0.0111 -0.0111 -0.43 -0.0083 -0.00935 -0.38 -0.5767 -0.9982 2117250 SMP1_000175 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I09 compound treatment 0.0189 0.0189 0.74 0.0117 0.0107 0.44 0.8292 0.9689 1589 SMP1_000176 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc2ccc(O)cc2)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I10 compound treatment 0.0069 0.00689 0.27 -0.0053 -0.00635 -0.26 0.0059 0.0159 2141051 SMP1_000177 O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I11 compound treatment -0.0081 -0.00811 -0.32 -0.0133 -0.0143 -0.59 -0.6391 -0.9575 1000220 SMP1_000178 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I12 compound treatment 0.0069 0.00689 0.27 -0.0013 -0.00235 -0.1 0.1219 0.4272 1000323 SMP1_000179 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I13 compound treatment 0.0049 0.00489 0.19 7.0E-4 -3.08E-4 -0.01 0.1259 0.6589 1009367 SMP1_000180 OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I14 compound treatment -0.0091 -0.00911 -0.35 -0.0113 -0.0123 -0.51 -0.6087 -0.9849 2141052 SMP1_000181 CN1[C@H](CC(O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I15 compound treatment -0.0191 -0.0191 -0.74 -0.0313 -0.0323 -1.32 -1.4625 -0.9629 3199063 SMP1_000182 CCCCC[C@@H](O)C1C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)C(=CC=CC=CC=CC=CC(O)C(C)OC1=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I16 compound treatment -0.0191 -0.0191 -0.74 -0.0233 -0.0243 -1.0 -1.2307 -0.9897 3199064 SMP1_000183 COc1ccc(cc1O)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I17 compound treatment 0.0119 0.0119 0.46 0.0087 0.00769 0.32 0.5506 0.9824 2139 SMP1_000184 O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@H]32)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I18 compound treatment 0.0069 0.00689 0.27 0.0047 0.00369 0.15 0.2969 0.9631 1134 SMP1_000185 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I19 compound treatment -0.0111 -0.0111 -0.43 -0.0183 -0.0193 -0.79 -0.8656 -0.9596 2141053 SMP1_000186 OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I20 compound treatment 0.0019 0.0019 0.07 -0.0063 -0.00735 -0.3 -0.1607 -0.5182 2141054 SMP1_000187 C[C@@H](O)[C@@H](N)c1ccc(O)c(O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I21 mock treatment 0.0099 0.00989 0.39 0.0117 0.0107 0.44 0.5824 0.998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I22 mock treatment -0.0041 -0.00411 -0.16 -0.0073 -0.00835 -0.34 -0.355 -0.9401 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I23 mock treatment 0.0079 0.00789 0.31 0.0047 0.00365 0.15 0.3232 0.9451 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 I24 mock treatment -0.0061 -0.00611 -0.24 -0.0083 -0.00935 -0.38 -0.4392 -0.9737 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J01 compound treatment -0.0041 -0.00411 -0.16 -0.0073 -0.00835 -0.34 -0.355 -0.94 2141055 SMP1_000188 OC[C@H]1O[C@@](CO)(O[C@@H]2OC(CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@H]3OC(CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J02 compound treatment -0.0251 -0.0251 -0.98 -0.0343 -0.0353 -1.45 -1.7145 -0.9818 683 SMP1_000189 Cc1ncc([N+](=O)[O-])n1CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J03 compound treatment -0.0041 -0.00411 -0.16 -0.0113 -0.0123 -0.5 -0.4698 -0.8878 3075222 SMP1_000190 CC1C[C@H](C)C(=O)C(C1)[C@@H](O)CC2CC(=O)NC(=O)C2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J04 compound treatment 0.0059 0.0059 0.23 -0.0013 -0.00235 -0.1 0.0946 0.3795 1077 SMP1_000191 CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J05 compound treatment -0.0021 -0.00211 -0.08 -0.0153 -0.0163 -0.67 -0.5306 -0.788 82 SMP1_000192 Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J06 compound treatment -0.0061 -0.00611 -0.24 -0.0123 -0.0133 -0.55 -0.555 -0.9305 3199066 SMP1_000193 CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J07 compound treatment 9.0E-4 8.99E-4 0.04 -0.0083 -0.00935 -0.38 -0.2461 -0.6398 3075223 SMP1_000194 COC1=C[C@@]23CCCN3CCc4cc5OCOc5cc4[C@@H]2[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J08 compound treatment 0.0049 0.00489 0.19 -0.0063 -0.00735 -0.3 -0.0782 -0.2193 1528 SMP1_000195 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J09 compound treatment 0.0019 0.0019 0.07 -0.0043 -0.00535 -0.22 -0.1027 -0.4441 281 SMP1_000196 Ic1cccc2c(cccc12)S(=O)(=O)N3CCCNCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J10 compound treatment -0.0081 -0.00811 -0.32 -0.0203 -0.0213 -0.87 -0.8408 -0.9055 438 SMP1_000197 CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(O)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J11 compound treatment -0.0051 -0.00511 -0.2 -0.0113 -0.0123 -0.51 -0.4985 -0.9168 3187756 SMP1_000198 CC[C@]1(CC[C@@H](O1)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)[C@@H](OC)C(C)C(=O)O)O2)[C@@H]4O[C@H](C[C@@H]4C)[C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J12 compound treatment -0.0111 -0.0111 -0.43 -0.0143 -0.0153 -0.63 -0.7504 -0.9833 1538 SMP1_000199 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J13 compound treatment -0.0311 -0.0311 -1.21 -0.0403 -0.0413 -1.69 -2.054 -0.9866 1000139 SMP1_000200 CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J14 compound treatment -0.0121 -0.0121 -0.47 -0.0173 -0.0183 -0.75 -0.8642 -0.975 2178 SMP1_000201 NCc1cc(O)no1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J15 compound treatment 9.0E-4 8.99E-4 0.04 -0.0033 -0.00435 -0.18 -0.1013 -0.5576 1060170 SMP1_000202 COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J16 compound treatment -0.0111 -0.0111 -0.43 -0.0123 -0.0133 -0.55 -0.6916 -0.9934 1055 SMP1_000203 CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J17 compound treatment -0.0011 -0.00111 -0.04 -0.0033 -0.00435 -0.18 -0.1565 -0.8536 3177283 SMP1_000204 O[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC6CCC6)c54 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J18 compound treatment -0.0041 -0.00411 -0.16 -0.0113 -0.0123 -0.51 -0.4709 -0.8874 929 SMP1_000205 Oc1ccc2C[C@H]3N(CC=C)CC[C@]4([C@H]5Oc1c24)[C@@]3(O)CCC5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J19 compound treatment 0.0019 0.00189 0.07 -0.0023 -0.00335 -0.14 -0.0449 -0.2879 3189051 SMP1_000206 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@]5([C@H]6Oc1c25)[C@@]3(O)CCC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J20 compound treatment 0.0059 0.00589 0.23 0.0047 0.00365 0.15 0.2682 0.9785 2141056 SMP1_000207 COC(=O)[C@H](N)Cc1ccc(O)c(O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J21 mock treatment 0.0029 0.0029 0.11 0.0017 6.5E-4 0.03 0.0987 0.8506 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J22 mock treatment 0.0029 0.00289 0.11 0.0037 0.00265 0.11 0.1566 0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J23 mock treatment -0.0091 -0.00911 -0.35 -0.0103 -0.0113 -0.46 -0.5786 -0.9913 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 J24 mock treatment 0.0049 0.00489 0.19 0.0027 0.00165 0.07 0.1827 0.903 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K01 compound treatment 0.0109 0.0109 0.42 0.0167 0.0157 0.64 0.7548 0.9797 3199068 SMP1_000208 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K02 compound treatment -0.0051 -0.00511 -0.2 -0.0113 -0.0123 -0.5 -0.4974 -0.9172 3075224 SMP1_000209 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc3O2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K03 compound treatment 0.0089 0.0089 0.35 0.0017 6.5E-4 0.03 0.264 0.7592 3173760 SMP1_000210 COc1cc2CCN(C)[C@@H]3Cc4cccc(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)c(O)c5)c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K04 compound treatment 0.0119 0.0119 0.46 0.0067 0.00561 0.23 0.4906 0.9476 1092 SMP1_000211 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K05 compound treatment 0.0039 0.00389 0.15 -0.0023 -0.00335 -0.14 0.0103 0.0501 1010814 SMP1_000212 CC(=CCCC(=CCO)C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K06 compound treatment 0.0079 0.00789 0.31 7.0E-4 -3.48E-4 -0.01 0.2074 0.6736 3199069 SMP1_000213 CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H](O2)[C@H](C)C(=O)O)O[C@]3(O[C@@](C)(C[C@H]3C)[C@H]4CC[C@](C)(O4)[C@@H]5O[C@H](C[C@@H]5C)[C@H]6O[C@@](O)(CO)[C@H](C)C[C@@H]6C)[C@@H]1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K07 compound treatment -0.0251 -0.0251 -0.98 -0.0303 -0.0313 -1.28 -1.599 -0.991 2141057 SMP1_000214 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K08 compound treatment -0.0081 -0.00811 -0.32 -0.0173 -0.0183 -0.75 -0.7538 -0.926 3075226 SMP1_000215 CC(C)c1c(O)ccc2c1CC[C@H]3C(C)(C)CCC[C@@]32C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K09 compound treatment -0.0101 -0.0101 -0.39 -0.0173 -0.0183 -0.75 -0.8089 -0.9547 747 SMP1_000216 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K10 compound treatment 0.0039 0.00389 0.15 -0.0043 -0.00535 -0.22 -0.0477 -0.1788 3180381 SMP1_000217 O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K11 compound treatment -0.0031 -0.00311 -0.12 -0.0093 -0.0103 -0.42 -0.3854 -0.874 770 SMP1_000218 CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K12 compound treatment -0.0021 -0.00211 -0.08 -0.0103 -0.0113 -0.47 -0.3869 -0.8192 3199070 SMP1_000219 C[C@H]1O[C@@H](OC/2CC3OC(O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)/C=C/C=C/CC\C=C\C=C\C=C\C=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K13 compound treatment -0.0371 -0.0371 -1.45 -0.0363 -0.0373 -1.53 -2.1034 -0.9996 3075227 SMP1_000220 CC1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K14 compound treatment -1.0E-4 -1.06E-4 0.0 -0.0053 -0.00635 -0.26 -0.1869 -0.7183 893 SMP1_000221 NCC(O)c1ccc(O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K15 compound treatment 0.0109 0.0109 0.42 0.0097 0.00869 0.36 0.552 0.9962 3199071 SMP1_000222 C[C@@H](C[C@H](O)[C@H]1C[C@@H]2CC[C@@]3(CC[C@@H](O3)/C=C/[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K16 compound treatment 0.0029 0.00289 0.11 0.0027 0.00165 0.07 0.1276 0.9702 3199072 SMP1_000223 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K17 compound treatment -0.0151 -0.0151 -0.59 -0.0173 -0.0183 -0.75 -0.9467 -0.9928 1001980 SMP1_000224 CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K18 compound treatment 0.0059 0.00589 0.23 0.0047 0.00369 0.15 0.2694 0.9795 3075228 SMP1_000225 CCC/1CCC2OC3(CC[C@@H](C)C(C[C@H](C)O)O3)[C@H](C)C(OC(=O)/C=C/[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C1)[C@H]2C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K19 compound treatment -0.0091 -0.00911 -0.35 -0.0143 -0.0153 -0.63 -0.6946 -0.9636 2141058 SMP1_000226 CCCCCc1cc(O)cc(O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K20 compound treatment -0.0171 -0.0171 -0.67 -0.0203 -0.0213 -0.87 -1.0888 -0.9911 1001920 SMP1_000227 CNC[C@H](O)c1ccc(O)c(O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K21 mock treatment -0.0111 -0.0111 -0.43 -0.0133 -0.0143 -0.59 -0.7206 -0.9888 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K22 mock treatment 0.0029 0.0029 0.11 7.0E-4 -3.48E-4 -0.01 0.0697 0.613 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K23 mock treatment -0.0061 -0.00611 -0.24 -0.0053 -0.00631 -0.26 -0.351 -0.9991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 K24 mock treatment -0.0131 -0.0131 -0.51 -0.0133 -0.0143 -0.59 -0.7758 -0.9976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L01 compound treatment -0.0011 -0.00111 -0.04 -0.0053 -0.00635 -0.26 -0.2145 -0.8131 1000045 SMP1_000228 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L02 compound treatment 0.0169 0.0169 0.66 0.0047 0.00365 0.15 0.5712 0.8463 2141059 SMP1_000229 OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L03 compound treatment 0.0169 0.0169 0.66 0.0077 0.00665 0.27 0.6582 0.9239 1066 SMP1_000230 OC1OCC=C2OC(=O)C=C12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L04 compound treatment 0.0169 0.0169 0.66 0.0107 0.00969 0.4 0.7463 0.9708 652 SMP1_000231 COc1c(O)cc(O)c2c(=O)c(coc12)c3ccc(O)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L05 compound treatment 0.0049 0.0049 0.19 -0.0063 -0.00735 -0.3 -0.078 -0.2188 3199074 SMP1_000232 CC(=C)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)C(CC[C@@]3(O)[C@@]52O[C@@H]5[C@H]1O)[C@@H]6OC(C)(C)[C@H]7C[C@@H]8C(=C)Cc9c(Cl)cc%10[nH]c4c6c%10c9[C@@]87O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L06 compound treatment 0.0249 0.0249 0.97 0.0177 0.0167 0.68 1.1683 0.9852 3470993 SMP1_000233 COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)C1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L07 compound treatment 0.0029 0.00289 0.11 -0.0073 -0.00835 -0.34 -0.1622 -0.4503 907471 SMP1_000234 CC(O)C1NC(=O)C(C)NC(=O)C(CC(C)(O)CO)NC(=O)C2Cc3c(SCC(NC1=O)C(=O)N4CC(O)CC4C(=O)NC(C)C(=O)N2)[nH]c5ccccc35 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L08 compound treatment -0.0011 -0.00111 -0.04 -0.0023 -0.00335 -0.14 -0.1275 -0.8865 1511 SMP1_000235 Oc1ccc(cc1)C2(OC(=O)c3ccccc32)c4ccc(O)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L09 compound treatment 0.0159 0.0159 0.62 0.0067 0.00565 0.23 0.6016 0.91 3046406 SMP1_000236 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L10 compound treatment -0.0041 -0.00411 -0.16 -0.0193 -0.0203 -0.83 -0.7017 -0.8279 924 SMP1_000237 NC(=N)NC(=N)Nc1ccccc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L11 compound treatment 0.0079 0.0079 0.31 -3.0E-4 -0.00135 -0.06 0.1787 0.5712 647 SMP1_000238 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L12 compound treatment 0.0029 0.00289 0.11 7.0E-4 -3.48E-4 -0.01 0.0696 0.6128 1355 SMP1_000239 CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@@]53C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L13 compound treatment 0.0069 0.00689 0.27 0.0067 0.00569 0.23 0.3549 0.9975 3199166 SMP1_000240 C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)C[C@H]4O[C@@H]4C=CC(=O)O[C@H](C)CC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L14 compound treatment 0.0059 0.00589 0.23 -0.0033 -0.00435 -0.18 0.0364 0.1252 2117626 SMP1_000241 Fc1ccc(cc1)C(CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34)c5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L15 compound treatment 0.0189 0.0189 0.74 0.0147 0.0137 0.56 0.9173 0.991 1258 SMP1_000242 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCNCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L16 compound treatment 0.0029 0.00289 0.11 -0.0053 -0.00635 -0.26 -0.1042 -0.3676 1001531 SMP1_000243 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L17 compound treatment 0.0229 0.0229 0.89 0.0237 0.0227 0.93 1.2883 0.9998 3199167 SMP1_000244 CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC(=O)C(CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC1=O)C(C)O)NC(=O)C(CCN)NC(=O)C(N)C(C)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L18 compound treatment 0.0159 0.0159 0.62 0.0087 0.00765 0.31 0.6596 0.9503 3075229 SMP1_000245 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc2ccc(O)c(O)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L19 compound treatment 0.0029 0.00289 0.11 0.0027 0.00165 0.07 0.1276 0.9702 3075230 SMP1_000246 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)C(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L20 compound treatment 0.0109 0.0109 0.42 0.0077 0.00669 0.27 0.494 0.9777 740 SMP1_000247 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L21 mock treatment -0.0091 -0.00911 -0.35 -0.0093 -0.0103 -0.42 -0.5496 -0.9962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L22 mock treatment 0.0089 0.00889 0.35 0.0087 0.00765 0.31 0.4667 0.9987 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L23 mock treatment 0.0189 0.0189 0.74 0.0167 0.0157 0.64 0.9752 0.9977 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 L24 mock treatment 0.0209 0.0209 0.81 0.0207 0.0197 0.81 1.1462 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M01 compound treatment 0.0299 0.0299 1.16 0.0277 0.0267 1.09 1.597 0.9995 3199168 SMP1_000248 CO[C@@H]([C@@H]1Cc2cc3cc(O[C@@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@@H](OC)[C@@H](C)O5)[C@H](OC(=O)C)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6OC[C@@H](O[C@H]7OC[C@@H](O[C@H]8C[C@](C)(O)[C@@H](OC(=O)C)[C@H](C)O8)[C@H](O)[C@H]7C)[C@H](O)[C@H]6C)C(=O)[C@@H](O)[C@@H](C)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M02 compound treatment 0.0289 0.0289 1.13 0.0237 0.0227 0.93 1.4536 0.9955 3075231 SMP1_000249 CCCCCCCCCCCCCC=CC(O)C(N)C(O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M03 compound treatment 0.0149 0.0149 0.58 0.0087 0.00765 0.31 0.6319 0.9582 3075232 SMP1_000250 COc1ccc(C[C@@H](N)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M04 compound treatment 0.0259 0.0259 1.01 0.0177 0.0167 0.68 1.1971 0.9821 3075233 SMP1_000251 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M05 compound treatment 0.0129 0.0129 0.5 0.0037 0.00265 0.11 0.4323 0.8406 353 SMP1_000252 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M06 compound treatment 0.0199 0.0199 0.78 0.0147 0.0137 0.56 0.9448 0.9874 3199169 SMP1_000253 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M07 compound treatment 0.0109 0.0109 0.42 0.0057 0.00465 0.19 0.4349 0.9348 3199170 SMP1_000254 COc1ccc2nccc([C@@H](O)[C@@H]3CC4CCN3C[C@H]4C=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M08 compound treatment 0.0069 0.00689 0.27 -0.0063 -0.00739 -0.3 -0.0242 -0.0597 3199171 SMP1_000255 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M09 compound treatment 9.0E-4 9.04E-4 0.04 -0.0063 -0.00739 -0.3 -0.1892 -0.6207 1011756 SMP1_000256 Oc1ccc2nc3ccc(=O)cc3oc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M10 compound treatment -0.0061 -0.00611 -0.24 -0.0133 -0.0143 -0.59 -0.5828 -0.9211 1652119 SMP1_000257 Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M11 compound treatment 0.0119 0.0119 0.46 -0.0023 -0.00335 -0.14 0.2306 0.4773 2141060 SMP1_000258 CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M12 compound treatment 0.0079 0.00789 0.31 0.0017 6.92E-4 0.03 0.2375 0.7691 3199172 SMP1_000259 C/C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M13 compound treatment -1.0E-4 -1.06E-4 0.0 -3.0E-4 -0.00135 -0.06 -0.042 -0.7581 3075417 SMP1_000260 COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M14 compound treatment 0.0089 0.00889 0.35 -0.0013 -0.00235 -0.1 0.177 0.4921 1380 SMP1_000261 NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M15 compound treatment -1.0E-4 -1.06E-4 0.0 0.0017 6.52E-4 0.03 0.016 0.5904 2141061 SMP1_000262 Cc1cc2nc3c(=O)[nH]c(=O)nc3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M16 compound treatment 0.0129 0.0129 0.5 0.0017 6.52E-4 0.03 0.3741 0.7437 2551 SMP1_000263 COc1cc(NC(C)CCCN)c2ncccc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M17 compound treatment -0.0091 -0.00911 -0.35 -0.0143 -0.0154 -0.63 -0.6968 -0.963 3199174 SMP1_000264 COC1C=COC2(C)Oc3c(C2=O)c4c(O)c(C=NN5CCN(C)CC5)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(C1C)C(=O)OC)C)c(O)c4c(O)c3C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M18 compound treatment 0.0189 0.0189 0.74 0.0137 0.0127 0.52 0.8871 0.9853 2141062 SMP1_000265 CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC(=O)C2COC(=O)CNC(=O)/C=C/[C@](O)(CCl)[C@@H](C)Oc3ccc(cc3)[C@H](NC1=O)C(=O)N(C)[C@@H](Cc4ccccc4)C(=O)N[C@H]([C@@H](C)O)C(=O)N2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M19 compound treatment 0.0139 0.0139 0.54 0.0097 0.00869 0.36 0.6346 0.9794 291 SMP1_000266 CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M20 compound treatment -0.0011 -0.00111 -0.04 -0.0043 -0.00535 -0.22 -0.1855 -0.8302 2141063 SMP1_000267 N[C@@H](CCCNC=NNO)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M21 mock treatment 0.0119 0.0119 0.46 0.0147 0.0137 0.56 0.7243 0.9955 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M22 mock treatment 0.0049 0.0049 0.19 0.0127 0.0117 0.48 0.4739 0.9187 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M23 mock treatment 0.0129 0.0129 0.5 0.0147 0.0137 0.56 0.7523 0.9985 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 M24 mock treatment -0.0091 -0.00911 -0.35 -0.0103 -0.0113 -0.47 -0.5797 -0.9911 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N01 compound treatment -0.0201 -0.0201 -0.78 -0.0213 -0.0223 -0.91 -1.2004 -0.997 1523 SMP1_000268 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N02 compound treatment -0.0131 -0.0131 -0.51 -0.0193 -0.0203 -0.83 -0.9495 -0.9725 3471131 SMP1_000269 CCC(C1CCC(C)C(O1)C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C5CCC(O)(CC)C(C)O5)C(O)C=C3)C(C)CC2C)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N03 compound treatment 0.0139 0.0139 0.54 0.0037 0.00265 0.11 0.4596 0.8325 3075421 SMP1_000270 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N04 compound treatment -0.0051 -0.00511 -0.2 -0.0133 -0.0143 -0.59 -0.5553 -0.8968 3199176 SMP1_000271 OC[C@H]1O[C@@H](Oc2cccc3[C@@H]([C@@H]4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N05 compound treatment -0.0051 -0.00511 -0.2 -0.0153 -0.0163 -0.67 -0.6132 -0.8795 429 SMP1_000272 NCCc1c[nH]c2ccc(O)cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N06 compound treatment -0.0141 -0.0141 -0.55 -0.0183 -0.0193 -0.79 -0.9481 -0.9841 2141064 SMP1_000273 COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N07 compound treatment -0.0231 -0.0231 -0.9 -0.0253 -0.0263 -1.08 -1.3989 -0.996 3069775 SMP1_000274 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N08 compound treatment -0.0311 -0.0311 -1.21 -0.0433 -0.0443 -1.82 -2.1409 -0.9807 3199177 SMP1_000275 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N09 compound treatment -0.0431 -0.0431 -1.68 -0.0473 -0.0483 -1.98 -2.5874 -0.9967 795 SMP1_000276 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N10 compound treatment 0.0069 0.00689 0.27 0.0027 0.00165 0.07 0.2377 0.8584 2141065 SMP1_000277 CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N11 compound treatment -0.0211 -0.0211 -0.82 -0.0273 -0.0283 -1.16 -1.4018 -0.9858 688 SMP1_000278 CO[C@H]1[C@H](O)CC(=O)O[C@@H](C)CC=CC=C[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N12 compound treatment 0.0039 0.00389 0.15 -0.0053 -0.00635 -0.26 -0.0767 -0.2546 3075481 SMP1_000279 CN[C@H]1C[C@H]2O[C@@](C)([C@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N13 compound treatment -0.0051 -0.00511 -0.2 -0.0033 -0.00435 -0.18 -0.2667 -0.9985 3075482 SMP1_000280 CC[C@H](C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N14 compound treatment -1.0E-4 -1.06E-4 0.0 -3.0E-4 -0.00135 -0.06 -0.042 -0.7581 324 SMP1_000281 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N15 compound treatment -0.0161 -0.0161 -0.63 -0.0233 -0.0243 -1.0 -1.1481 -0.9752 1149 SMP1_000282 CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N16 compound treatment 0.0029 0.00289 0.11 -0.0053 -0.00635 -0.26 -0.1043 -0.3677 1241 SMP1_000283 NC(=N)NS(=O)(=O)c1ccc(N)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N17 compound treatment -0.0171 -0.0171 -0.67 -0.0113 -0.0123 -0.51 -0.8291 -0.9908 799 SMP1_000284 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N18 compound treatment 0.0039 0.00389 0.15 -0.0063 -0.00739 -0.3 -0.1068 -0.3154 3199269 SMP1_000285 C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N19 compound treatment -0.0191 -0.0191 -0.74 -0.0213 -0.0223 -0.91 -1.1729 -0.9948 197 SMP1_000286 O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N20 compound treatment -0.0061 -0.00611 -0.24 -0.0113 -0.0123 -0.51 -0.526 -0.9408 999 SMP1_000287 CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N21 mock treatment 0.0109 0.0109 0.42 0.0137 0.0127 0.52 0.6679 0.9949 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N22 mock treatment -0.0071 -0.00711 -0.28 -0.0033 -0.00435 -0.18 -0.3217 -0.9773 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N23 mock treatment 0.0089 0.00889 0.35 0.0047 0.00365 0.15 0.3509 0.9295 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 N24 mock treatment 0.0029 0.00289 0.11 7.0E-4 -3.48E-4 -0.01 0.0696 0.6128 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O01 compound treatment 0.0119 0.0119 0.46 0.0057 0.00465 0.19 0.4624 0.9229 3199270 SMP1_000288 CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O02 compound treatment 0.0219 0.0219 0.85 0.0097 0.00869 0.36 0.855 0.925 2141066 SMP1_000289 CC[C@H]1O[C@@H]2O[C@@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O03 compound treatment 0.0219 0.0219 0.85 0.0157 0.0147 0.6 1.0288 0.9854 2141067 SMP1_000290 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O04 compound treatment 0.0159 0.0159 0.62 0.0057 0.00469 0.19 0.5739 0.885 856 SMP1_000291 Cn1c(=O)n(C)c2nc[nH]c2c1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O05 compound treatment 0.0159 0.0159 0.62 0.0047 0.00365 0.15 0.5437 0.8534 1000110 SMP1_000292 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O06 compound treatment 0.0259 0.0259 1.01 0.0197 0.0186 0.76 1.253 0.9905 3075485 SMP1_000293 O=c1cc[nH]c(=S)[nH]1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O07 compound treatment -0.0051 -0.0051 -0.2 -0.0033 -0.00435 -0.18 -0.2666 -0.9985 312 SMP1_000294 CCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O08 compound treatment 0.0189 0.0189 0.74 0.0077 0.00665 0.27 0.7133 0.9087 3199272 SMP1_000295 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]61CCC(C)CO6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O09 compound treatment 0.0069 0.00689 0.27 -0.0083 -0.00939 -0.38 -0.0821 -0.175 1813 SMP1_000296 N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O10 compound treatment -0.0061 -0.00611 -0.24 -0.0143 -0.0153 -0.63 -0.6129 -0.9115 3075541 SMP1_000297 O=C1CNC2(CCN(CCc3ccccc3)CC2)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O11 compound treatment 0.0019 0.00189 0.07 -0.0123 -0.0134 -0.55 -0.3358 -0.6066 909 SMP1_000298 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O12 compound treatment 0.0029 0.00289 0.11 -0.0063 -0.00735 -0.3 -0.1333 -0.4144 2141068 SMP1_000299 OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O13 compound treatment -0.0051 -0.00511 -0.2 -0.0143 -0.0154 -0.63 -0.5866 -0.8871 1002008 SMP1_000300 C[C@@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C[C@@H](O)[C@]1(O)C(=O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O14 compound treatment 0.0079 0.00789 0.31 -3.0E-4 -0.00135 -0.06 0.1784 0.571 3075542 SMP1_000301 Nc1nc(N)c(nc1Cl)C(=O)NC(=N)NCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O15 compound treatment 0.0249 0.0249 0.97 0.0257 0.0247 1.01 1.4013 0.9998 3199275 SMP1_000302 C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O16 compound treatment -1.0E-4 -1.01E-4 0.0 -0.0043 -0.00535 -0.22 -0.1579 -0.7197 3075543 SMP1_000303 C[C@H](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O17 compound treatment 0.0059 0.00589 0.23 0.0017 6.52E-4 0.03 0.1813 0.7841 1075 SMP1_000304 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O18 compound treatment 0.0059 0.00589 0.23 0.0017 6.92E-4 0.03 0.1824 0.7885 1040 SMP1_000305 CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(Cc6ccccc6)NC1=O)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O19 compound treatment -0.0061 -0.00611 -0.24 -0.0083 -0.00935 -0.38 -0.4391 -0.9737 3199276 SMP1_000306 CC(C)CCCCCCCCCCC/C=C/C(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CC(O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ccc(=O)[nH]c3=O)O[C@H]1O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4NC(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O20 compound treatment -0.0101 -0.0101 -0.39 -0.0083 -0.00935 -0.38 -0.5493 -0.9999 1000019 SMP1_000307 CO[C@@]12[C@H]3N[C@H]3CN2C4=C([C@H]1COC(=O)N)C(=O)C(=C(C)C4=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O21 mock treatment 0.0169 0.0169 0.66 0.0127 0.0117 0.48 0.8042 0.9878 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O22 mock treatment 0.0119 0.0119 0.46 0.0127 0.0117 0.48 0.6665 0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O23 mock treatment 0.0219 0.0219 0.85 0.0187 0.0177 0.73 1.1158 0.9967 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 O24 mock treatment -0.0141 -0.0141 -0.55 -0.0073 -0.00835 -0.34 -0.6302 -0.974 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P01 compound treatment -0.0431 -0.0431 -1.68 -0.0443 -0.0453 -1.86 -2.5005 -0.9987 2141069 SMP1_000308 CC(=O)C1=C(O)[C@]2(C)C(=CC1=O)Oc3c2c(O)c(C)c(O)c3C(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P02 compound treatment -0.0041 -0.00411 -0.16 -0.0093 -0.0103 -0.42 -0.4118 -0.9117 3075548 SMP1_000309 C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P03 compound treatment -0.0091 -0.0091 -0.35 -0.0173 -0.0183 -0.75 -0.7811 -0.9414 3199277 SMP1_000310 CCCC(NC)C(=O)NC1C(O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)C(O)C6NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC1=O)c7ccc(O)c(c7)-c8c(O)cc(O)cc8C(NC6=O)C(=O)O)c3OC9OC(CO)C(O)C(O)C9OC%10CC(C)(N)C(O)C(C)O%10)c(Cl)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P04 compound treatment -0.0131 -0.0131 -0.51 -0.0183 -0.0193 -0.79 -0.9206 -0.9775 3075550 SMP1_000311 COc1ccc(cc1OC)C(=O)O[C@H]2CC[C@@]3(C)C4CC[C@@H]5C3(CC6(O)[C@@H]7CN8C[C@@H](C)CC[C@H]8[C@@](C)(O)C7(O)[C@@H](O)CC56O)O[C@@]42O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P05 compound treatment -0.0121 -0.0121 -0.47 -0.0173 -0.0183 -0.75 -0.8652 -0.9748 1000109 SMP1_000312 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P06 compound treatment -0.0061 -0.00611 -0.24 -0.0103 -0.0113 -0.47 -0.4971 -0.9516 3177546 SMP1_000313 CCC1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P07 compound treatment -0.0291 -0.0291 -1.13 -0.0373 -0.0383 -1.57 -1.9119 -0.9873 3069234 SMP1_000314 CC[C@]1(CCCN2CCc3c4[C@@H]21)C[C@](O)(C(=O)OC)n4c5ccccc35 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P08 compound treatment -0.0181 -0.0181 -0.71 -0.0323 -0.0333 -1.36 -1.464 -0.9528 3177541 SMP1_000315 CCC1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P09 compound treatment -0.0251 -0.0251 -0.98 -0.0263 -0.0273 -1.12 -1.4839 -0.9977 1000116 SMP1_000316 CC(=O)CC(c1ccccc1)c2c(O)c3ccccc3oc2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P10 compound treatment -0.0331 -0.0331 -1.29 -0.0403 -0.0413 -1.69 -2.11 -0.9909 3199278 SMP1_000317 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@H](O)CC2(C)C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P11 compound treatment -0.0351 -0.0351 -1.37 -0.0403 -0.0413 -1.69 -2.1642 -0.9944 2141070 SMP1_000318 C[C@H](CCC=C(C)C)c1ccc(C)c(O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P12 compound treatment -0.0261 -0.0261 -1.02 -0.0303 -0.0313 -1.28 -1.6264 -0.9934 1076 SMP1_000319 Cc1cccc(C)c1NC2=NCCCS2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P13 compound treatment -0.0211 -0.0211 -0.82 -0.0273 -0.0283 -1.16 -1.4018 -0.9858 3000363 SMP1_000320 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P14 compound treatment -0.0071 -0.00711 -0.28 -0.0133 -0.0143 -0.59 -0.6115 -0.941 3068881 SMP1_000321 CCCOc1ccccc1c2nc(=O)c3[nH]nnc3[nH]2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P15 compound treatment -0.0261 -0.0261 -1.02 -0.0313 -0.0323 -1.32 -1.6554 -0.9915 1002031 SMP1_000322 C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P16 compound treatment -0.0141 -0.0141 -0.55 -0.0213 -0.0223 -0.91 -1.0351 -0.9704 3173242 SMP1_000323 Nc1nc2cc(Cl)ccc2o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P17 compound treatment -0.0151 -0.0151 -0.59 -0.0213 -0.0223 -0.91 -1.0626 -0.9773 2076 SMP1_000324 CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P18 compound treatment -0.0241 -0.0241 -0.94 -0.0283 -0.0293 -1.2 -1.5143 -0.9925 3075553 SMP1_000325 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)c(O)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P19 compound treatment -0.0211 -0.0211 -0.82 -0.0273 -0.0283 -1.16 -1.4018 -0.9858 1002002 SMP1_000326 O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P20 compound treatment -0.0131 -0.0131 -0.51 -0.0153 -0.0163 -0.67 -0.8336 -0.9912 2141071 SMP1_000327 Nc1nc(=O)c2nc(cnc2[nH]1)[C@H](O)[C@H](O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P21 mock treatment -0.0191 -0.0191 -0.74 -0.0173 -0.0183 -0.75 -1.0569 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P22 mock treatment -0.0211 -0.0211 -0.82 -0.0183 -0.0193 -0.79 -1.141 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P23 mock treatment -0.0321 -0.0321 -1.25 -0.0363 -0.0373 -1.53 -1.9656 -0.995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1461 P24 mock treatment 0.0019 0.0019 0.07 0.0137 0.0127 0.52 0.4202 0.7998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A01 compound treatment -0.0117 -0.0116 -0.45 0.0031 0.00308 0.13 -0.2316 -0.4919 2065621 ICCB6_000001 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A02 compound treatment 3.0E-4 3.19E-4 0.01 0.0031 0.00308 0.13 0.0979 0.7731 2065622 ICCB6_000002 OCCCCCCCCCc1ccc(C=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A03 compound treatment -0.0327 -0.0327 -1.27 -0.028 -0.028 -1.15 -1.7104 -0.9986 2065623 ICCB6_000003 CC1(C)OC(=O)C=C(CC(O)c2ccccc2)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A04 compound treatment -0.0317 -0.0317 -1.23 -0.027 -0.027 -1.1 -1.6535 -0.9985 2065624 ICCB6_000004 CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc3ccccc3)[C@@H]1OCCCc4ccc(C=O)o4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A05 compound treatment -0.0097 -0.00965 -0.38 -0.0019 -0.00192 -0.08 -0.3216 -0.8371 2065625 ICCB6_000005 Clc1ccccc1C(CC(=O)c2ccccc2)C(=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A06 compound treatment -0.0367 -0.0367 -1.43 -0.027 -0.027 -1.1 -1.7916 -0.9919 2065626 ICCB6_000006 OCCCCCCCCCCc1ccc(C=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A07 compound treatment -0.0397 -0.0397 -1.55 -0.03 -0.03 -1.23 -1.9612 -0.9935 2065627 ICCB6_000007 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A08 compound treatment -0.0247 -0.0247 -0.96 -0.02 -0.02 -0.82 -1.2582 -0.9967 2065628 ICCB6_000008 OC[C@H](COCCCc1ccc(C=O)o1)OCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A09 compound treatment -0.0017 -0.00168 -0.07 0.0041 0.00408 0.17 0.0718 0.4002 2065629 ICCB6_000009 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A10 compound treatment -0.0157 -0.0156 -0.61 -0.0109 -0.0109 -0.45 -0.7474 -0.9885 2065630 ICCB6_000010 OCCOCCCc1ccc(C=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A11 compound treatment -0.0017 -0.00164 -0.06 0.0011 0.00108 0.04 -0.014 -0.1806 2065631 ICCB6_000011 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccc(OC)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A12 compound treatment -7.0E-4 -6.41E-4 -0.02 0.0011 0.00108 0.04 0.0135 0.2668 2065632 ICCB6_000012 OCc1ccc(CCc2ccc(C=O)o2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A13 compound treatment -0.0117 -0.0117 -0.45 -0.012 -0.012 -0.49 -0.6678 -0.9993 2065633 ICCB6_000013 CCOC(=O)CC(C#N)(C(=O)OCC)c1nsc2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A14 compound treatment -0.0187 -0.0187 -0.73 -0.0159 -0.0159 -0.65 -0.9753 -0.9986 2065634 ICCB6_000014 OCCOCCOCCCc1ccc(C=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A15 compound treatment -0.0077 -0.00764 -0.3 -0.0139 -0.0139 -0.57 -0.614 -0.954 ICCB6_000015 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A16 compound treatment -0.0147 -0.0147 -0.57 -0.019 -0.019 -0.78 -0.9528 -0.9885 2065635 ICCB6_000016 OCC1CC2CCN1CC2CCc3ccc(C=O)o3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A17 compound treatment -0.0127 -0.0127 -0.49 -0.013 -0.013 -0.53 -0.7245 -0.9993 1952805 ICCB6_000017 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(cc2c(coc12)C(O)(c3ccccc3)c4ccccc4)c5cc(I)cc(I)c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A18 compound treatment -0.0257 -0.0257 -1.0 -0.03 -0.03 -1.23 -1.5747 -0.9948 2065636 ICCB6_000018 OCCCCNC(=O)OCCCc1ccc(C=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A19 compound treatment -0.0797 -0.0797 -3.1 -0.1075 -0.107 -4.4 -5.3081 -0.9853 1952839 ICCB6_000019 Oc1ccccc1C#CC#Cc2ccccc2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A20 compound treatment -0.0177 -0.0177 -0.69 -0.018 -0.018 -0.74 -1.0071 -0.9994 2065637 ICCB6_000020 OCCCCc1ccc(C=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A21 compound treatment 0.0013 0.00136 0.05 0.0041 0.00408 0.17 0.1556 0.8877 1952635 ICCB6_000021 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A22 compound treatment -0.0437 -0.0437 -1.7 -0.043 -0.043 -1.76 -2.4473 -0.9999 2065638 ICCB6_000022 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A23 mock treatment -0.0047 -0.00464 -0.18 -9.0E-4 -9.22E-4 -0.04 -0.1545 -0.8368 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 A24 mock treatment -0.0197 -0.0197 -0.77 -0.016 -0.016 -0.65 -1.0041 -0.9969 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B01 compound treatment -0.0047 -0.00465 -0.18 0.0021 0.00208 0.09 -0.068 -0.3395 2065621 ICCB6_000023 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B02 compound treatment -0.0107 -0.0107 -0.41 -0.0029 -0.00292 -0.12 -0.3782 -0.8755 2065639 ICCB6_000024 OB1OC(COCc2ccccc2)CC=C1C(=C)CCCc3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B03 compound treatment 0.0103 0.0103 0.4 0.023 0.023 0.94 0.9521 0.9276 2065640 ICCB6_000025 CC1(C)OC(=O)C=C(CC(O)C2CCCCC2)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B04 compound treatment -0.0037 -0.00364 -0.14 0.0051 0.00508 0.21 0.0468 0.1859 2065641 ICCB6_000026 CC(C)C(=C)C1=CCC(COCc2ccccc2)OB1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B05 compound treatment 0.0093 0.00933 0.36 0.016 0.016 0.66 0.722 0.9609 2065642 ICCB6_000027 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B06 compound treatment -0.0037 -0.00364 -0.14 0.0041 0.00408 0.17 0.0178 0.0813 2065643 ICCB6_000028 CCCC(=C)C1=CCC(COCc2ccccc2)OB1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B07 compound treatment -0.0057 -0.00564 -0.22 -0.0019 -0.00192 -0.08 -0.2111 -0.9043 2065644 ICCB6_000029 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B08 compound treatment 0.0153 0.0153 0.6 0.018 0.018 0.74 0.945 0.9943 2065645 ICCB6_000030 O[C@@H]([C@H](Oc1ccccc1)C=C)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B09 compound treatment 0.0063 0.00632 0.25 0.01 0.01 0.41 0.4643 0.9701 2065646 ICCB6_000031 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)Cc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B10 compound treatment 0.0183 0.0183 0.71 0.018 0.018 0.74 1.0279 0.9998 2065647 ICCB6_000032 O[C@H](COCc1ccccc1)[C@H](Oc2ccccc2)C=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B11 compound treatment 0.0013 0.00132 0.05 -0.003 -0.00298 -0.12 -0.0501 -0.3779 2065648 ICCB6_000033 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B12 compound treatment 0.0053 0.00533 0.21 0.012 0.012 0.49 0.4959 0.9259 2065649 ICCB6_000034 CC(C)C(=C)C(=O)CCC(COCc1ccccc1)OC(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B13 compound treatment 0.0183 0.0183 0.71 0.021 0.021 0.86 1.1149 0.9956 2065650 ICCB6_000035 [O-][N+](=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B14 compound treatment 0.0063 0.00633 0.25 0.0031 0.00308 0.13 0.2635 0.9515 2065651 ICCB6_000036 CCCC(=C=CC[C@@H](OC(=O)Nc1ccc(Br)cc1)c2ccccc2)CCOC(=O)Nc3ccc(Br)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B15 compound treatment -0.0017 -0.00164 -0.06 -9.0E-4 -9.22E-4 -0.04 -0.0719 -0.9685 1952458 ICCB6_000037 Fc1ccc(cc1Br)[C@@H]2C3=C(C[C@@H]4C2=CCn5n4c(=O)n(c6ccccc6)c5=O)C(=O)OC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B16 compound treatment -0.0487 -0.0487 -1.9 -0.049 -0.049 -2.01 -2.7589 -0.9996 2065652 ICCB6_000038 CC(C)C(=C=CC[C@H](COCc1ccccc1)OC(=O)c2ccc(Br)cc2)CCOC(=O)c3ccc(Br)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B17 compound treatment -0.0077 -0.00768 -0.3 -0.015 -0.015 -0.61 -0.6458 -0.9454 1952808 ICCB6_000039 CCCCCc1cc2ccccc2o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B18 compound treatment 0.0053 0.00533 0.21 0.007 0.00705 0.29 0.351 0.9869 2065653 ICCB6_000040 CC1(C)OC[C@@H](C=C)[C@H](CCc2ccccc2)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B19 compound treatment 0.0173 0.0173 0.68 0.013 0.013 0.53 0.8555 0.9933 1952842 ICCB6_000041 COC(=O)Cc1cc(cc(I)c1O)c2cc(F)cc(I)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B20 compound treatment 0.0133 0.0133 0.52 0.015 0.015 0.62 0.8032 0.9964 2065654 ICCB6_000042 CCC[C@@]1(CCO[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)O[C@@H](Cc4ccccc4)CC=C1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B21 compound treatment 0.0233 0.0233 0.91 0.022 0.022 0.9 1.2815 1.0 1952636 ICCB6_000043 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B22 compound treatment -0.0047 -0.00467 -0.18 -0.001 -9.84E-4 -0.04 -0.1572 -0.8433 3056822 ICCB6_000044 CC(C)[Si](OC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)c4ccccc4C3=O)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B23 mock treatment -0.0077 -0.00764 -0.3 -0.0019 -0.00192 -0.08 -0.2662 -0.8645 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 B24 mock treatment 0.0013 0.00136 0.05 0.0031 0.00308 0.13 0.1266 0.9257 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C01 compound treatment -0.0127 -0.0127 -0.49 -0.0019 -0.00192 -0.08 -0.4042 -0.8099 2065655 ICCB6_000045 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(C)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C02 compound treatment -0.0207 -0.0207 -0.81 -0.012 -0.012 -0.49 -0.9159 -0.9716 2065656 ICCB6_000046 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C03 compound treatment -0.0127 -0.0126 -0.49 -0.0059 -0.00592 -0.24 -0.5199 -0.9469 2065657 ICCB6_000047 COC(=O)c1cn2c(c1C(=O)OC)c(=O)n(C)c3ccccc32 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C04 compound treatment -0.0207 -0.0207 -0.81 -0.02 -0.02 -0.82 -1.1477 -1.0 2065658 ICCB6_000048 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@H](COC2=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C05 compound treatment -0.0197 -0.0197 -0.77 -0.015 -0.015 -0.61 -0.9753 -0.9939 2065659 ICCB6_000049 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3Cl)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C06 compound treatment -0.0027 -0.00264 -0.1 0.0021 0.00208 0.09 -0.0126 -0.0941 2065660 ICCB6_000050 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C07 compound treatment -0.0107 -0.0107 -0.41 -0.008 -0.00795 -0.33 -0.5239 -0.9929 2065661 ICCB6_000051 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)CCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C08 compound treatment 0.0063 0.00636 0.25 0.0091 0.00908 0.37 0.4382 0.9805 2065662 ICCB6_000052 CC(C)[C@@H]1N(C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2)C(=O)OC1(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C09 compound treatment -0.0027 -0.00264 -0.1 -0.0099 -0.00992 -0.41 -0.3603 -0.8589 2065663 ICCB6_000053 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)Cc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C10 compound treatment -0.0177 -0.0177 -0.69 -0.024 -0.024 -0.98 -1.1804 -0.9849 2065664 ICCB6_000054 COC(=O)[C@H](Cc1ccccc1)NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C11 compound treatment -0.0107 -0.0107 -0.41 -0.0079 -0.00792 -0.32 -0.523 -0.9926 2065665 ICCB6_000055 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C12 compound treatment -0.0467 -0.0467 -1.82 -0.049 -0.049 -2.01 -2.7037 -0.9988 2065666 ICCB6_000056 CCc1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C13 compound treatment -0.0527 -0.0527 -2.05 -0.049 -0.049 -2.01 -2.8691 -0.9999 1065064 ICCB6_000057 [O-][N+](=O)c1ccc(CBr)c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C14 compound treatment -0.0407 -0.0407 -1.58 -0.04 -0.04 -1.64 -2.2777 -0.9999 2065667 ICCB6_000058 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(Oc3ccccc3)cc2)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C15 compound treatment -0.0787 -0.0787 -3.06 -0.08 -0.08 -3.28 -4.4837 -0.9994 1952482 ICCB6_000059 Fc1ccc(cc1Br)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5(C#N)C(=O)C(=C(Cl)C(=O)[C@@]25C#N)Cl)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C16 compound treatment -0.0247 -0.0247 -0.96 -0.014 -0.014 -0.57 -1.0835 -0.9693 2065668 ICCB6_000060 COc1cccc(C)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C17 compound treatment 0.0053 0.00532 0.21 0.005 0.00505 0.21 0.2928 1.0 1952809 ICCB6_000061 CC(=O)Oc1ccccc1C#Cc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C18 compound treatment -0.0487 -0.0487 -1.9 -0.05 -0.05 -2.05 -2.7879 -0.9993 2065669 ICCB6_000062 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(C#N)cc2)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C19 compound treatment -0.1165 -0.116 -4.54 -0.1525 -0.152 -6.25 -7.6276 -0.9877 1952773 ICCB6_000063 CCCNC(=O)c1cc(cc2c3C(=O)OC4(CCCC4)c3oc12)c5cc(F)cc(F)c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C20 compound treatment -0.0237 -0.0237 -0.92 -0.02 -0.02 -0.82 -1.2298 -0.9982 2065670 ICCB6_000064 CCOC(=O)CNC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C21 compound treatment 0.0193 0.0193 0.75 0.018 0.018 0.74 1.0555 1.0 1952585 ICCB6_000065 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]2C[C@H](C[C@@]3(CCC[C@H](COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5cccc6ccccc56 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C22 compound treatment -0.0467 -0.0467 -1.82 -0.043 -0.043 -1.76 -2.5299 -0.9999 2065671 ICCB6_000066 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2F)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C23 mock treatment -0.0137 -0.0137 -0.53 -0.015 -0.015 -0.61 -0.81 -0.9976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 C24 mock treatment -0.0037 -0.00364 -0.14 -0.0049 -0.00492 -0.2 -0.243 -0.9851 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D01 compound treatment -0.0057 -0.00564 -0.22 0.0011 0.00108 0.04 -0.1242 -0.554 2065672 ICCB6_000067 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(Cl)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D02 compound treatment -0.0037 -0.00364 -0.14 0.0051 0.00508 0.21 0.0468 0.1859 2065673 ICCB6_000068 CC(C)[Si](OC[C@@H]1CC=C(C)B(O)O1)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D03 compound treatment -0.0087 -0.00865 -0.34 -0.0049 -0.00492 -0.2 -0.381 -0.9699 2065674 ICCB6_000069 CCOC(=O)C1[C@H](CCc2ccccc2)O[C@H](CCc3ccccc3)CC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D04 compound treatment 0.0193 0.0193 0.75 0.022 0.022 0.9 1.1713 0.9959 2065675 ICCB6_000070 CC(C)[Si](OC[C@H]1OB(O)CC=C1)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D05 compound treatment 0.0013 0.00136 0.05 0.0061 0.00608 0.25 0.2135 0.8387 2065676 ICCB6_000071 C[Si](C)(C(N[Si](=O)(=O)c1ccccc1)c2ccccc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D06 compound treatment -0.0097 -0.00967 -0.38 -0.01 -0.00995 -0.41 -0.5548 -0.9992 2065677 ICCB6_000072 CC(C)[Si](OCC(O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D07 compound treatment -0.0077 -0.00764 -0.3 -0.004 -0.00395 -0.16 -0.3251 -0.9591 2065678 ICCB6_000073 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D08 compound treatment 0.0153 0.0153 0.6 0.0101 0.0101 0.41 0.7144 0.9837 2065679 ICCB6_000074 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D09 compound treatment -0.0547 -0.0547 -2.13 -0.063 -0.063 -2.58 -3.3316 -0.9955 2065680 ICCB6_000075 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)CCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D10 compound treatment 0.0043 0.00436 0.17 1.0E-4 7.62E-5 0.0 0.1223 0.72 2065681 ICCB6_000076 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D11 compound treatment 0.0103 0.0103 0.4 0.01 0.01 0.41 0.5757 0.9999 2065682 ICCB6_000077 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccc(OC)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D12 compound treatment 0.0093 0.00933 0.36 0.01 0.01 0.41 0.5481 0.9981 2065683 ICCB6_000078 CC(C)[Si](OCC(O)/C(=C\CO)/C)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D13 compound treatment -0.0057 -0.00564 -0.22 -0.0059 -0.00592 -0.24 -0.327 -0.9988 1952278 ICCB6_000079 COC(=O)c1nc(oc1C)C(NC(=O)CCc2cn(CC=C)c3ccccc23)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D14 compound treatment 0.0213 0.0213 0.83 0.026 0.026 1.07 1.3424 0.9923 2065684 ICCB6_000080 CC(C)[Si](OCC(O)/C=C\CO)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D15 compound treatment -0.0027 -0.00264 -0.1 -0.006 -0.00595 -0.24 -0.2453 -0.9263 2065685 ICCB6_000081 CCOCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OCOCC)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D16 compound treatment 0.0163 0.0163 0.64 0.013 0.013 0.53 0.8279 0.9963 2065686 ICCB6_000082 CC(C)[Si](OC[C@@H](O)[C@@]1(C)OC(C)(C)OC1CO)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D17 compound treatment 0.0163 0.0163 0.64 0.015 0.015 0.62 0.8859 0.9999 1952811 ICCB6_000083 CC(C)(C)[Si](C)(C)Oc1ccc(C#C)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D18 compound treatment 0.0113 0.0113 0.44 -0.001 -9.54E-4 -0.04 0.2845 0.642 2065687 ICCB6_000084 CC(C)[Si](OC[C@@H](O)[C@H]1OC(C)(C)OC1CO)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D19 compound treatment 0.0043 0.00436 0.17 1.0E-4 7.82E-5 0.0 0.1224 0.7203 1952780 ICCB6_000085 COc1cccc(c1)c2c(oc3ccccc23)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D20 compound treatment -7.0E-4 -6.4E-4 -0.02 1.0E-4 7.62E-5 0.0 -0.0154 -0.6138 2065688 ICCB6_000086 CC1(C)OC(CO)[C@H](O1)[C@H](O)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D21 compound treatment 0.0153 0.0153 0.6 0.0091 0.00908 0.37 0.6853 0.974 1952670 ICCB6_000087 COCCNC(=O)OC[C@H]1CCC[C@@]2(C[C@@H](C[C@@H](CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCCc3ccc(F)cc3)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D22 compound treatment 0.0043 0.00436 0.17 0.0021 0.00208 0.09 0.1803 0.949 2065689 ICCB6_000088 C/C(=C/CO)/[C@H](O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D23 mock treatment 0.0133 0.0133 0.52 0.0091 0.00908 0.37 0.6303 0.9866 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 D24 mock treatment 0.0143 0.0143 0.56 0.011 0.011 0.45 0.7148 0.9946 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E01 compound treatment 0.0053 0.00532 0.21 0.011 0.011 0.45 0.4666 0.9373 2065690 ICCB6_000089 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(Cl)c(Cl)c4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E02 compound treatment -0.0027 -0.00268 -0.1 -0.001 -9.84E-4 -0.04 -0.1024 -0.9143 2065691 ICCB6_000090 COc1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E03 compound treatment 0.0083 0.00836 0.33 0.0111 0.0111 0.45 0.5512 0.9867 2065692 ICCB6_000091 CCOC(=O)C1[C@@H](O[C@@H](CC1=O)c2ccccc2)C3CCCCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E04 compound treatment -0.0147 -0.0147 -0.57 -0.011 -0.011 -0.45 -0.721 -0.9929 2065693 ICCB6_000092 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](O)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E05 compound treatment 0.0163 0.0163 0.64 0.016 0.016 0.66 0.9148 0.9999 2065694 ICCB6_000093 COc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)[Si](C)(C)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E06 compound treatment 0.0153 0.0153 0.6 0.017 0.017 0.7 0.9163 0.997 2065695 ICCB6_000094 CC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E07 compound treatment 0.0013 0.00132 0.05 0.001 0.00102 0.04 0.0658 0.9946 2065696 ICCB6_000095 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)Cc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E08 compound treatment -0.0157 -0.0157 -0.61 -0.011 -0.011 -0.45 -0.7503 -0.9887 2065697 ICCB6_000096 CCOC(=O)c1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E09 compound treatment 0.0153 0.0153 0.6 0.017 0.017 0.7 0.9163 0.997 2065698 ICCB6_000097 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E10 compound treatment -7.0E-4 -6.81E-4 -0.03 -0.005 -0.00498 -0.2 -0.1632 -0.7923 2065699 ICCB6_000098 CCCCOC(=O)c1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E11 compound treatment 0.0053 0.00536 0.21 0.014 0.014 0.58 0.5547 0.9058 1952474 ICCB6_000099 OCCCCCNC(CCO)Cc1ccc2ccccc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E12 compound treatment -0.0157 -0.0157 -0.61 -0.02 -0.02 -0.82 -1.0102 -0.9897 2065700 ICCB6_000100 COC(=O)[C@@H](NC(=O)OC/C=C/c1ccc(CCCCCCO)o1)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E13 compound treatment 0.0133 0.0133 0.52 0.013 0.013 0.53 0.7453 0.9999 1952280 ICCB6_000101 COC(=O)c1nc2oc1CC/C=C/Cn3cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C)c4ccccc34 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E14 compound treatment -0.0177 -0.0177 -0.69 -0.022 -0.022 -0.9 -1.1241 -0.9912 2065701 ICCB6_000102 COc1cccc(Cl)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E15 compound treatment -0.0277 -0.0277 -1.08 -0.032 -0.032 -1.31 -1.6894 -0.9953 1952487 ICCB6_000103 Fc1ccc(cc1Br)[C@H]2C3=CCn4n(C3C[C@@]5(C#N)C(=O)C(=C(Cl)C(=O)[C@@]25C#N)Cl)c(=O)n(c6ccccc6)c4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E16 compound treatment 0.0113 0.0113 0.44 0.008 0.00802 0.33 0.5441 0.9895 2065702 ICCB6_000104 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E17 compound treatment -0.0247 -0.0247 -0.96 -0.023 -0.023 -0.94 -1.346 -0.9999 1952813 ICCB6_000105 OCCCC#Cc1cc(O)cc(Cl)c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E18 compound treatment 0.0113 0.0113 0.44 0.019 0.019 0.78 0.8629 0.9637 2065703 ICCB6_000106 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](OC(=O)C)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E19 compound treatment 0.0183 0.0183 0.71 0.0061 0.00608 0.25 0.681 0.9005 3107406 ICCB6_000107 COC(=O)/C=C/c1cc(OC)c2oc(c(C)c2c1)c3ccccc3.c1ccsc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E20 compound treatment 0.0223 0.0223 0.87 0.018 0.018 0.74 1.1372 0.9967 2065704 ICCB6_000108 C[C@@H]([C@H](OC(=O)C)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E21 compound treatment 0.0223 0.0223 0.87 0.024 0.024 0.99 1.312 0.9981 ICCB6_000109 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E22 compound treatment 0.0073 0.00733 0.29 0.006 0.00605 0.25 0.3771 0.9975 2065705 ICCB6_000110 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2cccc(C)c2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E23 mock treatment 0.0123 0.0123 0.48 0.011 0.011 0.45 0.6597 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 E24 mock treatment 0.0263 0.0263 1.03 0.03 0.03 1.23 1.596 0.9959 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F01 compound treatment -0.0057 -0.00564 -0.22 1.0E-4 7.62E-5 0.0 -0.1532 -0.697 2065706 ICCB6_000111 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(OC)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F02 compound treatment -0.0077 -0.00764 -0.3 -0.0019 -0.00192 -0.08 -0.2663 -0.8646 2065707 ICCB6_000112 CC(C)[Si](OC[C@@H](O)C(C=C)C(O)c1ccccc1)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F03 compound treatment 0.0113 0.0113 0.44 0.0121 0.0121 0.49 0.662 0.9984 1009686 ICCB6_000113 O=C(CC(C(=O)c1ccccc1)c2ccccc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F04 compound treatment 0.0173 0.0173 0.68 0.02 0.02 0.82 1.0583 0.9953 2065708 ICCB6_000114 OC/C=C\C(O)c1ccccc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F05 compound treatment 0.0023 0.00236 0.09 0.0031 0.00308 0.13 0.1542 0.9879 2065709 ICCB6_000115 CCCCCCCCNC(=O)CC[C@H]1O[C@H](O[C@H]2O[C@H](CCC(=O)NCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F06 compound treatment 0.0193 0.0193 0.75 0.017 0.017 0.7 1.0265 0.9993 2065710 ICCB6_000116 CC1=C([C@H](O)C(C)(C)C)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F07 compound treatment 0.0023 0.00236 0.09 -0.0019 -0.00192 -0.08 0.0093 0.0766 2065711 ICCB6_000117 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F08 compound treatment 0.0223 0.0223 0.87 0.018 0.018 0.74 1.1381 0.9967 2065712 ICCB6_000118 CC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F09 compound treatment 0.0203 0.0203 0.79 0.021 0.021 0.86 1.1699 0.9991 2065713 ICCB6_000119 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F10 compound treatment 0.0153 0.0153 0.6 0.0121 0.0121 0.49 0.7722 0.9956 2065714 ICCB6_000120 C[C@@H](O)C1=CC[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F11 compound treatment 0.0113 0.0113 0.44 0.0051 0.00508 0.21 0.4593 0.9411 1952476 ICCB6_000121 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2c(Br)sc3ccc(Cl)cc23)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F12 compound treatment -0.0147 -0.0147 -0.57 -0.0019 -0.00192 -0.08 -0.4598 -0.7971 2065715 ICCB6_000122 OC[C@@H]1[C@H]2[C@@H](CC=C1CO)C(=O)N(Cc3ccccc3)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F13 compound treatment 0.0023 0.00236 0.09 0.015 0.015 0.62 0.501 0.8036 1952282 ICCB6_000123 COC(=O)c1nc2oc1CC/C=C/CNC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F14 compound treatment 0.0313 0.0313 1.22 0.024 0.024 0.99 1.5599 0.9944 2065716 ICCB6_000124 CC1=C(CO)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F15 compound treatment -0.1045 -0.104 -4.07 -0.1155 -0.115 -4.73 -6.2248 -0.9972 1952488 ICCB6_000125 Fc1ccc(cc1Br)[C@H]2C3=CCC4=C(C3CC5=C2C(=O)C(=CC5=O)I)C(=O)C(=CC4=O)I 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F16 compound treatment 0.0273 0.0273 1.06 0.026 0.026 1.07 1.5077 1.0 2065717 ICCB6_000126 C/C(=C/CO)/C(O)c1ccccc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F17 compound treatment 0.0163 0.0163 0.64 0.005 0.00502 0.21 0.5952 0.8903 1952814 ICCB6_000127 CC(=O)Cc1c(Cl)cc(cc1I)C(=O)NCCO[Si](C)(C)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F18 compound treatment 0.0323 0.0323 1.26 0.03 0.03 1.23 1.7613 0.9999 2065718 ICCB6_000128 CC(C)[Si](OCC1OB(O)CC=C1C)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F19 compound treatment -0.0017 -0.00168 -0.07 -0.008 -0.00798 -0.33 -0.2777 -0.8321 1952785 ICCB6_000129 CCc1cc(OC)c2oc(c(C(=O)c3ccccc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F20 compound treatment -0.0037 -0.00368 -0.14 -0.005 -0.00498 -0.2 -0.2458 -0.985 2065719 ICCB6_000130 OB1CC=C(C(O1)c2ccccc2)C(=C)COCc3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F21 compound treatment -0.0217 -0.0217 -0.84 -0.023 -0.023 -0.94 -1.2633 -0.9985 3107360 ICCB6_000131 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F22 compound treatment 0.0073 0.00732 0.29 0.013 0.013 0.53 0.5797 0.9567 2065720 ICCB6_000132 OC/C=C(\C(O)c1ccccc1)/C(=C)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F23 mock treatment -0.0117 -0.0117 -0.45 -0.011 -0.011 -0.45 -0.6389 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 F24 mock treatment 0.0273 0.0273 1.06 0.027 0.027 1.11 1.5366 0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G01 compound treatment -0.0147 -0.0147 -0.57 -0.01 -0.00995 -0.41 -0.6926 -0.9863 2065721 ICCB6_000133 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4cccs4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G02 compound treatment 0.0013 0.00136 0.05 0.0011 0.00108 0.04 0.0687 0.9959 3057351 ICCB6_000134 CC(C)C[C@H](CI)C(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G03 compound treatment -0.0117 -0.0116 -0.45 -0.0069 -0.00692 -0.28 -0.5213 -0.9745 2065722 ICCB6_000135 Clc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)C(=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G04 compound treatment -0.0057 -0.00564 -0.22 1.0E-4 7.62E-5 0.0 -0.1532 -0.697 3057353 ICCB6_000136 CC(C)(C)OC[C@@H](O)[C@H]1O[C@H](NO)C2OC(C)(C)OC12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G05 compound treatment 0.0023 0.00236 0.09 0.0091 0.00908 0.37 0.328 0.8561 2065723 ICCB6_000137 CCCCCCCNCC(=O)NC[C@H]1O[C@H](O[C@H]2O[C@H](CNC(=O)CCNCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G06 compound treatment 0.0063 0.00636 0.25 0.0051 0.00508 0.21 0.3223 0.9962 2065724 ICCB6_000138 CC(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G07 compound treatment 0.0063 0.00633 0.25 0.006 0.00605 0.25 0.3496 1.0 2065725 ICCB6_000139 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G08 compound treatment -0.0017 -0.00164 -0.06 -0.0039 -0.00392 -0.16 -0.1588 -0.9181 2065726 ICCB6_000140 CC(C)(C)[Si](C)(C)OCC1=CC(C#C)N(C=C1)C(=O)c2ccccc2Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G09 compound treatment 0.0023 0.00236 0.09 0.008 0.00805 0.33 0.2981 0.871 2065727 ICCB6_000141 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G10 compound treatment 0.0123 0.0123 0.48 0.014 0.014 0.58 0.7467 0.996 3057357 ICCB6_000142 OC(=O)c1[se]c2ccccc2c1Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G11 compound treatment -0.0077 -0.00767 -0.3 -0.009 -0.00895 -0.37 -0.4708 -0.9948 1952478 ICCB6_000143 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2ccc3ccccc3c2Br)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G12 compound treatment -0.0207 -0.0207 -0.81 -0.025 -0.025 -1.02 -1.2937 -0.993 3057359 ICCB6_000144 CC(C)(C)[Si](C)(C)OCC1=CC(C=C)N(C=C1)C(=O)c2[se]c3ccccc3c2Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G13 compound treatment -0.0127 -0.0126 -0.49 -0.0079 -0.00792 -0.32 -0.5778 -0.9796 1952284 ICCB6_000145 COC(=O)c1nc2oc1CC/C=C/CNC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G14 compound treatment -0.0117 -0.0117 -0.45 -0.0019 -0.00192 -0.08 -0.3773 -0.8175 2065728 ICCB6_000146 CCCCCC1C=C(CO[Si](C)(C)C(C)(C)C)C=CN1C(=O)c2ccccc2Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G15 compound treatment 0.0013 0.00136 0.05 -0.0029 -0.00292 -0.12 -0.0473 -0.361 2065729 ICCB6_000147 CCOCOc1cc(OCOCC)c2C(=O)CC(Oc2c1)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G16 compound treatment -0.0157 -0.0157 -0.61 -0.016 -0.016 -0.65 -0.894 -0.9994 2065730 ICCB6_000148 CC(C)(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G17 compound treatment -0.1485 -0.148 -5.78 -0.1725 -0.172 -7.07 -9.0871 -0.995 1952760 ICCB6_000149 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(c2cc(F)cc(F)c2)c3oc4c(C(=O)OC4(c5ccccc5)c6ccccc6)c3c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G18 compound treatment 3.0E-4 3.59E-4 0.01 -9.0E-4 -9.23E-4 -0.04 -0.0169 -0.418 2065731 ICCB6_000150 CC(=O)N[C@@H](CI)c1ccccc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G19 compound treatment -0.0157 -0.0156 -0.61 -0.0109 -0.0109 -0.45 -0.7474 -0.9885 1952788 ICCB6_000151 CCc1cc(OC)c2oc(c(C(=O)c3ccc(OC)cc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G20 compound treatment -0.0177 -0.0177 -0.69 -0.013 -0.013 -0.53 -0.8616 -0.9918 2065732 ICCB6_000152 COc1cc2CCN(Cc3ccccc3Br)C(C=C)c2cc1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G21 compound treatment -0.0127 -0.0127 -0.49 -0.011 -0.011 -0.45 -0.6665 -0.9989 1952728 ICCB6_000153 Cc1ccc2oc(=O)cc(c3cccs3)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G22 compound treatment -0.0047 -0.00467 -0.18 -0.0039 -0.00392 -0.16 -0.2424 -0.9981 2065733 ICCB6_000154 CN1C(=O)C2C(C1=O)C3(C4C(C5C=C(CCCO[Si](C)(C)C(C)(C)C)CC2N53)C(=O)N(C)C4=O)C(=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G23 mock treatment -0.0067 -0.00667 -0.26 -0.005 -0.00495 -0.2 -0.3273 -0.9925 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 G24 mock treatment -0.0157 -0.0157 -0.61 -0.014 -0.014 -0.57 -0.836 -0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H01 compound treatment -0.0137 -0.0137 -0.53 -0.0089 -0.00892 -0.37 -0.6347 -0.9833 2065734 ICCB6_000155 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4Cl)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H02 compound treatment 0.0083 0.00832 0.32 0.009 0.00905 0.37 0.4913 0.9978 2065735 ICCB6_000156 CC(=C)C1=CCB(O)OC1c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H03 compound treatment -0.0097 -0.00967 -0.38 -0.006 -0.00595 -0.24 -0.439 -0.9779 2065736 ICCB6_000157 CC(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H04 compound treatment -0.0047 -0.00464 -0.18 -9.0E-4 -9.24E-4 -0.04 -0.1546 -0.837 2065737 ICCB6_000158 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H05 compound treatment 0.0063 0.00632 0.25 0.007 0.00705 0.29 0.3783 0.9968 2065738 ICCB6_000159 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H06 compound treatment -7.0E-4 -6.37E-4 -0.02 1.0E-4 7.62E-5 0.0 -0.0153 -0.6133 2065739 ICCB6_000160 CC(=C)/C(=C/CO)/C(O)c1ccccc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H07 compound treatment 0.0053 0.00532 0.21 0.004 0.00402 0.16 0.2629 0.9935 2065740 ICCB6_000161 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)Cc4ccc(OC)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H08 compound treatment -0.5055 -0.505 -19.69 -0.5035 -0.503 -20.63 -28.5138 -0.9997 2065741 ICCB6_000162 CC1=NC(C)(C)[C@@H]2CCC(=C)C1C2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H09 compound treatment -0.0077 -0.00764 -0.3 -0.0039 -0.00392 -0.16 -0.3242 -0.9582 2065742 ICCB6_000163 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H10 compound treatment 0.0223 0.0223 0.87 0.021 0.021 0.86 1.2247 1.0 2065743 ICCB6_000164 C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H11 compound treatment -0.0037 -0.00367 -0.14 0.0061 0.00608 0.25 0.075 0.261 1952534 ICCB6_000165 C[C@H](N)C(Oc1ccccc1Br)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H12 compound treatment 3.0E-4 3.59E-4 0.01 -0.013 -0.013 -0.53 -0.3655 -0.6882 2065744 ICCB6_000166 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H13 compound treatment -0.0117 -0.0117 -0.45 -0.016 -0.016 -0.65 -0.7838 -0.9843 1952286 ICCB6_000167 COC(=O)c1nc(oc1CCC=C)C(NC(=O)[C@H](Cc2cn(CC=C)cn2)NC(=O)OCc3ccccc3)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H14 compound treatment 0.0113 0.0113 0.44 0.0031 0.00308 0.13 0.4012 0.8741 2065745 ICCB6_000168 CC(C)C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H15 compound treatment -0.0247 -0.0247 -0.96 -0.03 -0.03 -1.23 -1.5471 -0.9926 1952677 ICCB6_000169 CCCCCCC#Cc1c(C(CC(=O)C)c2ccccc2)c(=O)oc3ccccc13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H16 compound treatment 0.0043 0.00436 0.17 -9.0E-4 -9.24E-4 -0.04 0.0934 0.5364 2065746 ICCB6_000170 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H17 compound treatment -0.0167 -0.0167 -0.65 -0.023 -0.023 -0.94 -1.1239 -0.9835 1952821 ICCB6_000171 CC(C)(C)[Si](C)(C)COCNC(=O)C1CC2C3C(OC2C(Cl)C1)C4(CCCC4)OC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H18 compound treatment -0.0397 -0.0397 -1.55 -0.037 -0.037 -1.52 -2.1649 -1.0 2065747 ICCB6_000172 COc1cc(C[C@H]2NC(C)(C)C3CCC(=C)[C@H]2C3)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H19 compound treatment 3.0E-4 3.59E-4 0.01 -0.0029 -0.00292 -0.12 -0.0748 -0.6203 1952600 ICCB6_000173 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H20 compound treatment -0.0027 -0.00264 -0.1 -0.0089 -0.00892 -0.37 -0.3313 -0.8721 2065748 ICCB6_000174 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2C)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H21 compound treatment -0.0017 -0.00164 -0.06 -0.0059 -0.00592 -0.24 -0.2169 -0.8639 1952730 ICCB6_000175 O=c1cc(Cc2ccccc2)c3ccccc3o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H22 compound treatment -0.4045 -0.404 -15.76 -0.4185 -0.418 -17.15 -23.2682 -0.9991 2065749 ICCB6_000176 CC1(C)N=C(/C=C/2\C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H23 mock treatment 0.0123 0.0123 0.48 0.0101 0.0101 0.41 0.6317 0.9972 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 H24 mock treatment -0.0027 -0.00264 -0.1 -0.0039 -0.00392 -0.16 -0.1864 -0.9766 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I01 compound treatment -0.0137 -0.0137 -0.53 -0.007 -0.00695 -0.28 -0.5776 -0.9572 2065750 ICCB6_000177 COC(=O)[C@@H]1[C@H](N([C@H](c2ccccc2)[C@@]13C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6)C(=O)OC(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I02 compound treatment -0.0257 -0.0257 -1.0 -0.021 -0.021 -0.86 -1.3138 -0.9971 2065751 ICCB6_000178 CC(C)(C)[Si](C)(C)OCCCC1=CC2C3C(C(=O)N(Cc4ccccc4)C3=O)C5(C6C(C(C1)N25)C(=O)N(Cc7ccccc7)C6=O)C(=O)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I03 compound treatment -0.0077 -0.00765 -0.3 0.0011 0.00108 0.04 -0.1796 -0.596 2065752 ICCB6_000179 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Cl)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I04 compound treatment -0.0147 -0.0147 -0.57 -0.012 -0.012 -0.49 -0.7506 -0.997 2065753 ICCB6_000180 COc1cc(CN[C@@H](C)[C@H](Oc2ccccc2Br)c3ccccc3)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I05 compound treatment 0.0043 0.00432 0.17 0.006 0.00605 0.25 0.2942 0.9822 2065754 ICCB6_000181 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I06 compound treatment -0.0017 -0.00164 -0.06 0.0011 0.00108 0.04 -0.014 -0.1803 2065755 ICCB6_000182 COc1cc(CN[C@H]([C@H](O)c2ccccc2)c3ccccc3)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I07 compound treatment 0.0023 0.00232 0.09 -0.001 -9.84E-4 -0.04 0.0354 0.3576 2065756 ICCB6_000183 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I08 compound treatment -0.0107 -0.0107 -0.42 -0.016 -0.016 -0.65 -0.7563 -0.9761 2065757 ICCB6_000184 COc1cc(CN(Cc2ccccc2Br)[C@H]([C@H](O)c3ccccc3)c4ccccc4)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I09 compound treatment -0.0117 -0.0116 -0.45 -0.0069 -0.00692 -0.28 -0.5213 -0.9745 2065758 ICCB6_000185 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I10 compound treatment 0.0203 0.0203 0.79 0.016 0.016 0.66 1.025 0.9957 2065759 ICCB6_000186 COc1cc(CN(Cc2ccccc2Br)[C@H](C)C(Oc3ccccc3Br)c4ccccc4)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I11 compound treatment 0.0103 0.0103 0.4 0.013 0.013 0.53 0.6626 0.9902 1952544 ICCB6_000187 O=C1Nc2ccccc2[C@@]31[C@@H](C#N)C4N([C@H]3c5ccccc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I12 compound treatment 0.0013 0.00136 0.05 -0.0029 -0.00292 -0.12 -0.0473 -0.3609 2065760 ICCB6_000188 COc1cc(CN(Cc2ccccc2Br)[C@H](C(Oc3ccccc3Br)c4ccccc4)c5ccccc5)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I13 compound treatment 0.0033 0.00336 0.13 0.0031 0.00308 0.13 0.1818 0.9998 1952288 ICCB6_000189 COC(=O)c1nc2oc1CC/C=C/Cn3cnc(C[C@H](NC(=O)OCc4ccccc4)C(=O)NC2C(C)C)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I14 compound treatment -0.0097 -0.00964 -0.38 -0.0089 -0.00892 -0.37 -0.5242 -0.9999 2065761 ICCB6_000190 C[C@@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I15 compound treatment -0.0077 -0.00764 -0.3 -0.0029 -0.00292 -0.12 -0.2952 -0.92 1952679 ICCB6_000191 Clc1ccc2oc(=O)cc(Sc3ccccc3)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I16 compound treatment -0.0077 -0.00767 -0.3 -0.0089 -0.00892 -0.37 -0.4699 -0.995 2065762 ICCB6_000192 C[C@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I17 compound treatment -0.0267 -0.0267 -1.04 -0.021 -0.021 -0.86 -1.3422 -0.9955 1952823 ICCB6_000193 C#Cc1ccccc1Oc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I18 compound treatment -0.0157 -0.0157 -0.61 -0.014 -0.014 -0.57 -0.836 -0.9995 2065763 ICCB6_000194 C[C@H](C(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I19 compound treatment 0.0043 0.00436 0.17 0.014 0.014 0.58 0.5271 0.8783 1952601 ICCB6_000195 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I20 compound treatment -0.0177 -0.0177 -0.69 -0.0049 -0.00492 -0.2 -0.6295 -0.8774 2065764 ICCB6_000196 C[C@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I21 compound treatment -0.0297 -0.0297 -1.16 -0.012 -0.012 -0.49 -1.1641 -0.9269 1952746 ICCB6_000197 Cc1ccc(cc1)c2cc(=O)oc3ccccc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I22 compound treatment 0.0053 0.00536 0.21 0.0051 0.00508 0.21 0.2947 1.0 2065765 ICCB6_000198 C[C@@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I23 mock treatment 0.0033 0.00336 0.13 1.0E-4 7.62E-5 0.0 0.0947 0.7238 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 I24 mock treatment -0.0267 -0.0267 -1.04 -0.026 -0.026 -1.06 -1.4869 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J01 compound treatment -0.0567 -0.0567 -2.21 -0.053 -0.053 -2.17 -3.0969 -1.0 2065766 ICCB6_000199 COC(=O)C1=CN([C@H](c2ccccc2)[C@]31C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J02 compound treatment -0.0367 -0.0367 -1.43 -0.044 -0.044 -1.8 -2.2834 -0.9934 2065767 ICCB6_000200 CC1(C)N[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J03 compound treatment -0.0257 -0.0257 -1.0 -0.028 -0.028 -1.15 -1.5173 -0.9977 2065768 ICCB6_000201 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Br)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J04 compound treatment -0.0247 -0.0247 -0.96 -0.022 -0.022 -0.9 -1.3153 -0.9995 2065769 ICCB6_000202 CN1[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J05 compound treatment -0.0047 -0.00464 -0.18 -0.0049 -0.00492 -0.2 -0.2705 -0.9985 2065770 ICCB6_000203 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J06 compound treatment 0.0133 0.0133 0.52 0.016 0.016 0.66 0.8322 0.9932 2065771 ICCB6_000204 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J07 compound treatment -0.0157 -0.0156 -0.61 -0.015 -0.015 -0.61 -0.8642 -1.0 2065772 ICCB6_000205 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J08 compound treatment -0.0137 -0.0137 -0.53 -0.016 -0.016 -0.65 -0.8384 -0.9947 2065773 ICCB6_000206 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J09 compound treatment 3.0E-4 3.59E-4 0.01 -9.0E-4 -9.24E-4 -0.04 -0.0169 -0.4183 2065774 ICCB6_000207 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J10 compound treatment 0.0013 0.00136 0.05 1.0E-4 7.62E-5 0.0 0.0396 0.7475 2065775 ICCB6_000208 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J11 compound treatment 0.0103 0.0104 0.4 0.0021 0.00208 0.09 0.3456 0.8378 2065776 ICCB6_000209 Cc1ccc(SC2(CC(=O)N(Cc3ccccc3)C2c4ccccc4I)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J12 compound treatment 0.0053 0.00533 0.21 0.005 0.00505 0.21 0.293 1.0 2065777 ICCB6_000210 OCCOc1cccc(c1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J13 compound treatment -0.0427 -0.0427 -1.66 -0.039 -0.039 -1.6 -2.3055 -0.9998 1952295 ICCB6_000211 COC(=O)c1nc(oc1CC(=O)CCl)C(NC(=O)NC(=O)OC(C)(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J14 compound treatment -0.0137 -0.0137 -0.53 -0.016 -0.016 -0.65 -0.8384 -0.9948 2065778 ICCB6_000212 OCc1ccc(o1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J15 compound treatment -0.0107 -0.0107 -0.42 -0.01 -0.00995 -0.41 -0.5824 -1.0 1952690 ICCB6_000213 COC(=O)CC(C(=O)OC)c1ccccc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J16 compound treatment -0.0077 -0.00764 -0.3 -0.015 -0.015 -0.61 -0.6438 -0.945 2065779 ICCB6_000214 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCC(C(=O)OC)C(=O)OC)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J17 compound treatment -0.0087 -0.00867 -0.34 -0.009 -0.00895 -0.37 -0.4983 -0.9991 1952825 ICCB6_000215 CCCC(C)(O)C#Cc1cc(cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1OC(=O)C)c2cc(F)cc(F)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J18 compound treatment 0.0103 0.0103 0.4 0.0011 0.00108 0.04 0.3157 0.7799 2065780 ICCB6_000216 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J19 compound treatment -0.0057 -0.00564 -0.22 1.0E-4 7.62E-5 0.0 -0.1531 -0.697 1952605 ICCB6_000217 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J20 compound treatment -0.0057 -0.00564 -0.22 -0.0019 -0.00192 -0.08 -0.2112 -0.9043 2065781 ICCB6_000218 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J21 compound treatment 0.0133 0.0133 0.52 0.0131 0.0131 0.54 0.7461 0.9999 3005760 ICCB6_000219 CCOP(=O)(O)OCC.Cc1cc(=O)oc2ccc(Cl)cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J22 compound treatment -0.0127 -0.0127 -0.49 -0.012 -0.012 -0.49 -0.6955 -1.0 2065782 ICCB6_000220 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCNC(=O)N)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J23 mock treatment -0.0167 -0.0167 -0.65 -0.015 -0.015 -0.61 -0.8926 -0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 J24 mock treatment 0.0023 0.00236 0.09 1.0E-4 7.62E-5 0.0 0.0672 0.7307 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K01 compound treatment -0.0097 -0.00965 -0.38 -0.0069 -0.00692 -0.28 -0.4665 -0.9904 2065783 ICCB6_000221 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C)c5ccccc52 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K02 compound treatment -0.0187 -0.0187 -0.73 -0.018 -0.018 -0.74 -1.0346 -1.0 2065784 ICCB6_000222 CC(Oc1ccccc1Br)[C@H](N(C)C)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K03 compound treatment -0.0147 -0.0147 -0.57 -0.012 -0.012 -0.49 -0.7506 -0.997 2065785 ICCB6_000223 COC(=O)C(C(c1ccc(OC)cc1)[Si](C)(C)c2ccccc2)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K04 compound treatment -0.0027 -0.00264 -0.1 -9.0E-4 -9.23E-4 -0.04 -0.0995 -0.9076 2065786 ICCB6_000224 C[C@H](C(Oc1ccccc1[N+](=O)[O-])c2ccccc2)N(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K05 compound treatment -0.0207 -0.0207 -0.8 -0.019 -0.019 -0.78 -1.1182 -0.9998 2065787 ICCB6_000225 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K06 compound treatment 0.0033 0.00336 0.13 0.0051 0.00508 0.21 0.2397 0.9751 2065788 ICCB6_000226 COc1cc(/C=C/C=O)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K07 compound treatment 0.0053 0.00533 0.21 0.012 0.012 0.49 0.4959 0.9259 2065789 ICCB6_000227 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)CCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K08 compound treatment 0.0123 0.0123 0.48 0.0111 0.0111 0.45 0.6606 0.9996 2065790 ICCB6_000228 COc1cc(/C=C/CN[C@H](C)[C@@H](O)c2ccccc2)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K09 compound treatment -0.0017 -0.00164 -0.06 0.0011 0.00108 0.04 -0.0139 -0.1797 2065791 ICCB6_000229 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)Cc4ccc(OC)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K10 compound treatment 0.0103 0.0104 0.4 0.0061 0.00608 0.25 0.4615 0.9731 2065792 ICCB6_000230 CC(C)[Si](OCC1CCC=CC1)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K11 compound treatment -7.0E-4 -6.41E-4 -0.02 -0.0019 -0.00192 -0.08 -0.0734 -0.8876 1034979 ICCB6_000231 c1c(cn2ccccc12)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K12 compound treatment 0.0053 0.00536 0.21 1.0E-4 7.62E-5 0.0 0.1498 0.7176 2065793 ICCB6_000232 CC1(C)COC(=O)C1OC(=O)C2CC3CCC2C=C3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K13 compound treatment -0.0047 -0.00464 -0.18 -0.0069 -0.00692 -0.28 -0.3285 -0.9763 1952379 ICCB6_000233 CC(C)[Si](OCc1ccc(C=O)o1)(C(C)C)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K14 compound treatment 0.0023 0.00236 0.09 -0.0059 -0.00592 -0.24 -0.1066 -0.4109 2065794 ICCB6_000234 OCC1CC2CCC1C=C2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K15 compound treatment -0.0027 -0.00264 -0.1 0.0021 0.00208 0.09 -0.0126 -0.0943 1952707 ICCB6_000235 CCCCSc1cc(=O)oc2cc(OC)ccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K16 compound treatment -0.0817 -0.0817 -3.18 -0.068 -0.068 -2.78 -4.2186 -0.9978 2065795 ICCB6_000236 Ic1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K17 compound treatment -0.0117 -0.0116 -0.45 -0.0079 -0.00792 -0.32 -0.5503 -0.9866 1952828 ICCB6_000237 CCc1cc(OC)c(O)c(C#CC(O)c2ccccc2)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K18 compound treatment -0.0137 -0.0137 -0.53 -0.013 -0.013 -0.53 -0.752 -1.0 2065796 ICCB6_000238 C=CCOC(=O)[C@H]1[C@H]2N([C@@H](c3cccnc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K19 compound treatment -0.0167 -0.0167 -0.65 -0.014 -0.014 -0.57 -0.8636 -0.998 1952608 ICCB6_000239 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K20 compound treatment -0.0197 -0.0197 -0.77 -0.019 -0.019 -0.78 -1.0906 -1.0 2065797 ICCB6_000240 C=CCOC(=O)[C@H]1[C@H]2N([C@@H](c3ccco3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K21 compound treatment -0.0107 -0.0107 -0.42 -0.01 -0.00995 -0.41 -0.5824 -1.0 3005761 ICCB6_000241 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K22 compound treatment -0.0437 -0.0437 -1.7 -0.039 -0.039 -1.6 -2.3313 -0.9995 2065798 ICCB6_000242 Ic1ccc2NC(=O)/C(=C/C#N)/c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K23 mock treatment -0.0037 -0.00364 -0.14 -0.0029 -0.00292 -0.12 -0.185 -0.9965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 K24 mock treatment 0.0033 0.00336 0.13 0.0041 0.00408 0.17 0.2107 0.9927 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L01 compound treatment 0.0013 0.00132 0.05 0.007 0.00705 0.29 0.2405 0.8201 2065799 ICCB6_000243 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C(=O)C)c5ccccc52 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L02 compound treatment 0.0083 0.00833 0.32 0.008 0.00805 0.33 0.4626 1.0 2065800 ICCB6_000244 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#Cc6ccccc6F)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L03 compound treatment 0.0063 0.00636 0.25 0.013 0.013 0.53 0.5533 0.9389 2065801 ICCB6_000245 COC(=O)C(C(c1ccco1)[Si](C)(C)c2ccccc2)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L04 compound treatment 0.0093 0.00933 0.36 0.009 0.00905 0.37 0.5191 1.0 2065802 ICCB6_000246 CCCCC[C@H](O)C#Cc1ccc2NC(=O)[C@@]3([C@H](C4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N(C)OC)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L05 compound treatment 0.0023 0.00233 0.09 0.011 0.011 0.45 0.3843 0.8323 2065803 ICCB6_000247 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L06 compound treatment 0.0063 0.00633 0.25 0.0111 0.0111 0.45 0.4953 0.9589 2065804 ICCB6_000248 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCN(C)[C@H](C)Cc6ccccc6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L07 compound treatment -0.0017 -0.00164 -0.06 -0.0019 -0.00192 -0.08 -0.101 -0.9946 2065805 ICCB6_000249 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L08 compound treatment -7.0E-4 -6.41E-4 -0.02 -0.0019 -0.00192 -0.08 -0.0734 -0.8876 2065806 ICCB6_000250 OCCOc1ccc(cc1)C2N3[C@@H]([C@@H](C(=O)OCC=C)[C@]24C(=O)Nc5ccc(Br)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L09 compound treatment 0.0173 0.0173 0.68 0.015 0.015 0.62 0.9134 0.999 2065807 ICCB6_000251 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L10 compound treatment 0.0253 0.0253 0.99 0.023 0.023 0.94 1.3656 0.9998 2065808 ICCB6_000252 CON(C)C(=O)[C@H]1[C@H]2N(C(c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(I)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L11 compound treatment 0.0173 0.0173 0.68 0.025 0.025 1.03 1.2032 0.9793 2065809 ICCB6_000253 COC(=O)Cc1cn[nH]c1C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L12 compound treatment 0.0173 0.0173 0.67 0.009 0.00902 0.37 0.7384 0.9598 2065810 ICCB6_000254 CCOC(=O)[C@H]1[C@H]2N(C(c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(Br)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L13 compound treatment 0.0073 0.00733 0.29 0.007 0.00705 0.29 0.4061 1.0 1952411 ICCB6_000255 CC(C)[Si](OCc1ccc(o1)[C@@H](O)[C@H](C)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3)(C(C)C)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L14 compound treatment 0.0133 0.0133 0.52 0.01 0.01 0.41 0.6572 0.9933 2065811 ICCB6_000256 OCCOc1ccc(cc1)C2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(Br)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L15 compound treatment 0.0083 0.00836 0.33 0.009 0.00905 0.37 0.4925 0.9979 1952793 ICCB6_000257 FC(F)(F)c1ccc(cc1)C(=O)Oc2ccccc2C#Cc3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L16 compound treatment 0.0083 0.00832 0.32 0.007 0.00702 0.29 0.4325 0.9982 2065812 ICCB6_000258 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L17 compound treatment 0.0303 0.0303 1.18 0.024 0.024 0.99 1.5323 0.9959 1952829 ICCB6_000259 O=C(/C(=C\c1ccccc1)/c2cccc(c2)S(=O)=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L18 compound treatment 0.0053 0.00533 0.21 0.002 0.00205 0.08 0.2061 0.9205 2065813 ICCB6_000260 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)OCC=C)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L19 compound treatment 0.0133 0.0133 0.52 0.014 0.014 0.58 0.7743 0.9987 1952582 ICCB6_000261 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]2C[C@H](C[C@@]3(CCC[C@H](COC(=O)NCCOC)O3)O2)OC(=O)NCc4cccc5ccccc45 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L20 compound treatment 0.0133 0.0133 0.52 0.009 0.00902 0.37 0.6282 0.9861 2065814 ICCB6_000262 CON(C)C(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(Br)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L21 compound treatment 0.0113 0.0114 0.44 0.0141 0.0141 0.58 0.7208 0.9914 1952748 ICCB6_000263 O=Cc1cccc(c1)c2cc(=O)oc3ccccc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L22 compound treatment 0.0133 0.0133 0.52 0.005 0.00502 0.21 0.5123 0.9178 2065815 ICCB6_000264 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCC6CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L23 mock treatment 0.0153 0.0153 0.6 0.014 0.014 0.58 0.8294 0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 L24 mock treatment 0.0223 0.0223 0.87 0.025 0.025 1.03 1.3409 0.9966 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M01 compound treatment 0.0153 0.0153 0.6 0.016 0.016 0.66 0.8861 0.9989 2065816 ICCB6_000265 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C(=O)C)c5ccc(Cl)cc52 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M02 compound treatment 3.0E-4 3.59E-4 0.01 0.003 0.00305 0.12 0.0982 0.7814 2065817 ICCB6_000266 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C#N)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M03 compound treatment 0.0143 0.0143 0.56 0.016 0.016 0.66 0.8597 0.9967 2065818 ICCB6_000267 COc1ccc(cc1)C(CC(=O)c2ccccc2)[Si](C)(C)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M04 compound treatment -0.0017 -0.00168 -0.07 -0.009 -0.00898 -0.37 -0.3066 -0.82 2065819 ICCB6_000268 OCc1ccc(o1)[C@@H]2N3[C@H]([C@H](C#N)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M05 compound treatment 0.0063 0.00633 0.25 0.006 0.00602 0.25 0.3487 1.0 2065820 ICCB6_000269 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M06 compound treatment -0.0257 -0.0257 -1.0 -0.025 -0.025 -1.02 -1.4315 -0.9999 2065821 ICCB6_000270 COC(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M07 compound treatment 0.0113 0.0113 0.44 0.016 0.016 0.66 0.7759 0.9813 2065822 ICCB6_000271 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M08 compound treatment -0.0057 -0.00564 -0.22 -0.0019 -0.00192 -0.08 -0.2112 -0.9043 2065823 ICCB6_000272 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCC4)[C@]25C(=O)Nc6ccc(I)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M09 compound treatment 0.0063 0.00632 0.25 0.005 0.00502 0.21 0.3194 0.996 2065824 ICCB6_000273 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M10 compound treatment -0.0157 -0.0157 -0.61 -0.0099 -0.00992 -0.41 -0.7193 -0.9805 2065825 ICCB6_000274 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCc4ccccc4)[C@]25C(=O)Nc6ccc(I)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M11 compound treatment 0.0043 0.00436 0.17 0.0021 0.00208 0.09 0.1802 0.9489 2065826 ICCB6_000275 CC(C(=O)O)c1ccccc1C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M12 compound treatment -0.0057 -0.00564 -0.22 -0.0039 -0.00392 -0.16 -0.2691 -0.9882 2065827 ICCB6_000276 OCCNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(I)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M13 compound treatment 0.0113 0.0113 0.44 0.0021 0.00208 0.09 0.3723 0.8282 1952416 ICCB6_000277 Clc1c(Cl)c(Cl)c(OCc2ccccc2)c(Cl)c1Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M14 compound treatment 0.0213 0.0213 0.83 0.019 0.019 0.78 1.1386 0.9995 2065828 ICCB6_000278 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M15 compound treatment -0.1295 -0.129 -5.04 -0.1535 -0.153 -6.29 -8.013 -0.994 1952795 ICCB6_000279 COC(=O)/C=C/c1cc(OC)cc(C#Cc2ccc(Oc3ccccc3)c(OC)c2)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M16 compound treatment -0.0127 -0.0127 -0.49 -0.013 -0.013 -0.53 -0.7245 -0.9993 2065829 ICCB6_000280 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)C(C(OC3=O)c5ccccc5)c6ccccc6)C(=O)N(C)OC)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M17 compound treatment 0.0243 0.0243 0.95 0.02 0.02 0.82 1.2511 0.9975 1952832 ICCB6_000281 CCc1cc(OC)c(O)c(C#CC(C)(O)C=C)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M18 compound treatment 0.0213 0.0213 0.83 0.018 0.018 0.74 1.1097 0.9983 3176523 ICCB6_000282 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)OCC(C)C)c5ccc(C#CC6(O)CCCCCC6)cc54)C(C(OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M19 compound treatment 0.0063 0.00636 0.25 0.016 0.016 0.66 0.6402 0.9111 1952627 ICCB6_000283 CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M20 compound treatment 0.0133 0.0133 0.52 0.014 0.014 0.58 0.7742 0.9987 3056713 ICCB6_000284 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)N[C@@H](C(C)C)C(=O)OC)c5ccc(C#CC6(O)CCCCCC6)cc54)C(C(OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M21 compound treatment -0.0197 -0.0197 -0.77 -0.018 -0.018 -0.74 -1.0625 -0.9998 1107217 ICCB6_000285 Cc1cccnc1I 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M22 compound treatment 0.0153 0.0153 0.6 0.015 0.015 0.62 0.8584 0.9999 3176524 ICCB6_000286 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)N[C@H](C)c5ccccc5)c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M23 mock treatment 0.0033 0.00336 0.13 1.0E-4 7.82E-5 0.0 0.0948 0.7242 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 M24 mock treatment -0.0027 -0.00264 -0.1 -9.0E-4 -9.24E-4 -0.04 -0.0995 -0.9078 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N01 compound treatment 0.0013 0.00132 0.05 0.008 0.00805 0.33 0.2695 0.8076 2065830 ICCB6_000287 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccc(Cl)cc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N02 compound treatment -0.0187 -0.0187 -0.73 -0.017 -0.017 -0.69 -1.0057 -0.9997 2065831 ICCB6_000288 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCN(C)Cc6ccccc6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N03 compound treatment -0.0127 -0.0127 -0.49 -0.012 -0.012 -0.49 -0.6955 -1.0 2065832 ICCB6_000289 C[Si](C)(F)C(CC(=O)c1ccccc1)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N04 compound treatment -0.0147 -0.0146 -0.57 -0.0099 -0.00992 -0.41 -0.6909 -0.9862 2065833 ICCB6_000290 CCCCOc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N(C)OC)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N05 compound treatment -0.0037 -0.00364 -0.14 0.007 0.00705 0.29 0.1039 0.3229 2065834 ICCB6_000291 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N06 compound treatment -0.2265 -0.226 -8.82 -0.2105 -0.21 -8.62 -12.3371 -0.9999 2065835 ICCB6_000292 CC1(C)N[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC1CCC4=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N07 compound treatment -0.0137 -0.0137 -0.53 -0.012 -0.012 -0.49 -0.7225 -0.9992 2065836 ICCB6_000293 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)Cc4ccc(OC)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N08 compound treatment -0.1435 -0.143 -5.59 -0.1385 -0.138 -5.67 -7.9641 -1.0 2065837 ICCB6_000294 CN1[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N09 compound treatment -0.0167 -0.0167 -0.65 -0.024 -0.024 -0.98 -1.1534 -0.9799 2065838 ICCB6_000295 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N10 compound treatment 0.0013 0.00132 0.05 0.003 0.00305 0.12 0.1246 0.923 2065839 ICCB6_000296 Cc1ccc(cc1)S(=O)(=O)N[C@H]2CC3CCC2(C)C3(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N11 compound treatment -0.0157 -0.0157 -0.61 -0.013 -0.013 -0.53 -0.8071 -0.9976 2065840 ICCB6_000297 CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)c1cccnc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N12 compound treatment -0.0017 -0.00168 -0.07 0.001 0.00105 0.04 -0.016 -0.2043 2065841 ICCB6_000298 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCC6CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N13 compound treatment -0.0027 -0.00264 -0.1 -0.0049 -0.00492 -0.2 -0.2154 -0.9511 1952445 ICCB6_000299 Clc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc(CNC(=O)OCc5ccccc5)cc4)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N14 compound treatment -0.0137 -0.0136 -0.53 -0.0119 -0.0119 -0.49 -0.7213 -0.9991 2065842 ICCB6_000300 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N15 compound treatment 0.0283 0.0283 1.1 0.02 0.02 0.82 1.3614 0.9894 1952801 ICCB6_000301 Oc1ccccc1C#Cc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N16 compound treatment -0.0137 -0.0137 -0.53 -0.015 -0.015 -0.61 -0.8094 -0.9975 2065843 ICCB6_000302 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N17 compound treatment -0.0037 -0.00367 -0.14 -0.011 -0.011 -0.45 -0.4186 -0.8884 1952836 ICCB6_000303 CC(=O)c1ccc2oc(cc2c1)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N18 compound treatment -0.0037 -0.00365 -0.14 -0.0049 -0.00492 -0.2 -0.2433 -0.9854 2065844 ICCB6_000304 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N19 compound treatment -0.0127 -0.0126 -0.49 -0.0129 -0.0129 -0.53 -0.7228 -0.9993 1952631 ICCB6_000305 CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N20 compound treatment 0.0143 0.0143 0.56 0.012 0.012 0.49 0.7438 0.9981 2065845 ICCB6_000306 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N21 compound treatment 0.0133 0.0133 0.52 0.0051 0.00508 0.21 0.5144 0.9193 3005761 ICCB6_000307 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N22 compound treatment 3.0E-4 3.59E-4 0.01 -0.0089 -0.00892 -0.37 -0.2487 -0.6796 2065846 ICCB6_000308 CN(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)Cc8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N23 mock treatment 0.0043 0.00436 0.17 -0.0039 -0.00392 -0.16 0.0064 0.0274 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 N24 mock treatment 0.0023 0.00236 0.09 0.0081 0.00808 0.33 0.299 0.8705 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O01 compound treatment 0.0103 0.0103 0.4 0.011 0.011 0.45 0.6035 0.9983 2065847 ICCB6_000309 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3cccc(F)c3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O02 compound treatment 0.0073 0.00736 0.29 1.0E-4 7.62E-5 0.0 0.2049 0.7148 3176588 ICCB6_000310 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)NCc5ccc(Cl)c(Cl)c5)c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O03 compound treatment -0.0037 -0.00364 -0.14 -0.0019 -0.00192 -0.08 -0.156 -0.9615 2065848 ICCB6_000311 Cc1ccc(cc1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O04 compound treatment 0.0093 0.00933 0.36 0.01 0.01 0.41 0.5482 0.9981 3176589 ICCB6_000312 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)OCc5ccc(cc5)[N+](=O)[O-])c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O05 compound treatment -0.0097 -0.00965 -0.38 -0.011 -0.011 -0.45 -0.5833 -0.9961 2065849 ICCB6_000313 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)CCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O06 compound treatment -0.0067 -0.00668 -0.26 -0.015 -0.015 -0.61 -0.6174 -0.9273 2065850 ICCB6_000314 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(Br)cc4)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O07 compound treatment 0.0133 0.0133 0.52 0.018 0.018 0.74 0.889 0.9851 2065851 ICCB6_000315 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O08 compound treatment -0.0277 -0.0277 -1.08 -0.029 -0.029 -1.19 -1.6008 -0.9988 2065852 ICCB6_000316 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(cc4)[N+](=O)[O-])cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O09 compound treatment 0.0013 0.00132 0.05 0.002 0.00202 0.08 0.0948 0.9739 2065853 ICCB6_000317 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O10 compound treatment -0.0097 -0.00967 -0.38 -0.01 -0.00995 -0.41 -0.5549 -0.9992 2065854 ICCB6_000318 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O11 compound treatment -0.0077 -0.00764 -0.3 -0.0049 -0.00492 -0.2 -0.3532 -0.9821 2065855 ICCB6_000319 CCOC(=O)CC(C(=O)OCC)c1cccnc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O12 compound treatment -0.0147 -0.0146 -0.57 -0.0169 -0.0169 -0.69 -0.8938 -0.9953 2065856 ICCB6_000320 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O13 compound treatment 0.0063 0.00633 0.25 0.008 0.00805 0.33 0.4075 0.9897 1952450 ICCB6_000321 CCOC(=O)C(O)C(O)c1ccc(CO[Si](C(C)C)(C(C)C)c2ccccc2)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O14 compound treatment 0.0113 0.0113 0.44 0.006 0.00602 0.25 0.4862 0.9623 2065857 ICCB6_000322 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O15 compound treatment 0.0123 0.0123 0.48 0.012 0.012 0.49 0.6887 0.9999 1952761 ICCB6_000323 COc1ccc(cc1)C(=C2C(=O)Oc3ccccc23)c4ccc(OC)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O16 compound treatment 0.0053 0.00532 0.21 -0.001 -9.84E-4 -0.04 0.118 0.5591 2065858 ICCB6_000324 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O17 compound treatment 0.0083 0.00833 0.32 0.002 0.00202 0.08 0.2879 0.8597 1952837 ICCB6_000325 COCCNC(=O)c1ccc(c(C#CC(C)(O)CC(C)C)c1O)c2cc(F)cc(F)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O18 compound treatment -0.0267 -0.0267 -1.04 -0.032 -0.032 -1.31 -1.6602 -0.9934 2065859 ICCB6_000326 CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H](OC(=O)/C=C/C=C/C)[C@H]1OC(=O)/C=C/C=C/C)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O19 compound treatment 0.0023 0.00236 0.09 0.0011 0.00108 0.04 0.0963 0.9433 1952633 ICCB6_000327 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O20 compound treatment 0.0013 0.00136 0.05 0.0011 0.00108 0.04 0.0686 0.9959 2065860 ICCB6_000328 CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(c2ccccc2)(c3ccccc3)c4ccccc4)O[C@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N=[N+]=[N-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O21 compound treatment 0.0013 0.00136 0.05 0.007 0.00705 0.29 0.2416 0.823 1952755 ICCB6_000329 C=C(c1ccccc1)c2cc(=O)oc3ccccc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O22 compound treatment 0.0103 0.0103 0.4 0.017 0.017 0.7 0.7786 0.9657 2065861 ICCB6_000330 C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC=C)C(C)(C)C)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O23 mock treatment 0.0053 0.00536 0.21 -0.0019 -0.00192 -0.08 0.0919 0.4118 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 O24 mock treatment -0.0177 -0.0177 -0.69 -0.015 -0.015 -0.61 -0.9201 -0.9983 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P01 compound treatment -0.0287 -0.0287 -1.12 -0.021 -0.021 -0.86 -1.3965 -0.9916 2065862 ICCB6_000331 CC1(C)OCC2=C(CC(CCc3ccccc3)OC2CCc4ccccc4)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P02 compound treatment -0.0937 -0.0937 -3.65 -0.092 -0.092 -3.77 -5.2446 -0.9999 2065863 ICCB6_000332 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P03 compound treatment 0.0043 0.00436 0.17 0.0011 0.00108 0.04 0.1514 0.8621 2065864 ICCB6_000333 C1CCC(CC1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P04 compound treatment -0.0167 -0.0167 -0.65 -0.016 -0.016 -0.65 -0.9216 -1.0 2065865 ICCB6_000334 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P05 compound treatment -0.0377 -0.0377 -1.47 -0.034 -0.034 -1.39 -2.0229 -0.9997 2065866 ICCB6_000335 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccc(OC)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P06 compound treatment -0.0267 -0.0267 -1.04 -0.021 -0.021 -0.86 -1.342 -0.9955 2065867 ICCB6_000336 CCCCOc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P07 compound treatment -0.0247 -0.0247 -0.96 -0.02 -0.02 -0.82 -1.2582 -0.9967 2065868 ICCB6_000337 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccc(OC)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P08 compound treatment -0.0127 -0.0127 -0.49 -0.012 -0.012 -0.49 -0.6949 -1.0 2065869 ICCB6_000338 C[C@H](Cc1ccccc1)N(C)CC#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P09 compound treatment -0.0247 -0.0247 -0.96 -0.027 -0.027 -1.1 -1.4607 -0.9976 2065870 ICCB6_000339 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P10 compound treatment -0.0237 -0.0237 -0.92 -0.027 -0.027 -1.1 -1.4332 -0.996 2065871 ICCB6_000340 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P11 compound treatment -0.0437 -0.0437 -1.7 -0.045 -0.045 -1.84 -2.5057 -0.9992 2065872 ICCB6_000341 CCOC(=O)/C(=C/1\NSc2ccccc12)/C#N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P12 compound treatment -0.0657 -0.0657 -2.56 -0.07 -0.07 -2.87 -3.8357 -0.9984 2065873 ICCB6_000342 CCOC(OCC)C#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P13 compound treatment -0.0287 -0.0287 -1.12 -0.026 -0.026 -1.06 -1.542 -0.9997 2065874 ICCB6_000343 COC(=O)C(C(=O)OC)c1ccc(cc1I)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P14 compound treatment -0.0947 -0.0947 -3.69 -0.2515 -0.251 -10.3 -9.8941 -0.904 2065875 ICCB6_000344 Brc1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P15 compound treatment -0.0237 -0.0237 -0.92 -0.025 -0.025 -1.02 -1.3746 -0.9986 1952804 ICCB6_000345 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P16 compound treatment -0.0787 -0.0787 -3.07 -0.075 -0.075 -3.07 -4.3405 -1.0 2065876 ICCB6_000346 CCOC(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P17 compound treatment -0.0277 -0.0277 -1.08 -0.032 -0.032 -1.31 -1.6883 -0.9953 1952838 ICCB6_000347 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCC3C2CC4Cc5cc(O)ccc5C43)c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P18 compound treatment -0.0727 -0.0727 -2.83 -0.076 -0.076 -3.11 -4.2025 -0.9989 2065877 ICCB6_000348 O=C(/C=C\1/C(=O)Nc2ccccc12)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P19 compound treatment -0.0017 -0.00164 -0.06 -0.0059 -0.00592 -0.24 -0.2168 -0.8638 1952634 ICCB6_000349 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P20 compound treatment -0.0307 -0.0307 -1.19 -0.036 -0.036 -1.47 -1.8862 -0.9946 2065878 ICCB6_000350 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P21 compound treatment 0.0083 0.00836 0.33 0.0021 0.00208 0.09 0.2905 0.8628 1952770 ICCB6_000351 O=C/1Oc2ccccc2C\C1=C(/c3ccccc3)\c4ccc5ccccc5c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P22 compound treatment -0.0277 -0.0277 -1.08 -0.028 -0.028 -1.15 -1.5718 -0.9995 2065879 ICCB6_000352 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P23 mock treatment -0.0017 -0.00164 -0.06 -0.0029 -0.00292 -0.12 -0.1298 -0.9566 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.1463 P24 mock treatment -0.0147 -0.0147 -0.57 -0.012 -0.012 -0.49 -0.7506 -0.997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A01 mock treatment -0.0065 -0.00649 -0.25 0.0176 0.0176 0.72 0.3312 0.4332 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A02 mock treatment -0.0035 -0.0035 -0.14 0.0156 0.0156 0.64 0.3556 0.5439 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A03 compound treatment -0.0115 -0.0115 -0.45 -0.0364 -0.0364 -1.49 -1.3719 -0.8807 3000673 BCB01_000001 COc1cc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A04 compound treatment -0.0115 -0.0115 -0.45 -0.0184 -0.0184 -0.75 -0.8503 -0.9691 3000674 BCB01_000002 CC(C)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A05 compound treatment -0.0175 -0.0175 -0.68 -0.0094 -0.00941 -0.39 -0.7548 -0.9635 3000675 BCB01_000003 COc1cc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A06 compound treatment -0.0125 -0.0125 -0.49 -0.0154 -0.0154 -0.63 -0.791 -0.9918 3000676 BCB01_000004 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A07 compound treatment -5.0E-4 -5.05E-4 -0.02 -0.0374 -0.0374 -1.53 -1.0979 -0.7161 3093034 BCB01_000005 COc1cc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A08 compound treatment -0.0055 -0.0055 -0.21 -0.0084 -0.00841 -0.34 -0.3953 -0.974 3000677 BCB01_000006 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A09 compound treatment -0.0415 -0.0415 -1.62 -0.0094 -0.00941 -0.39 -1.416 -0.8518 3093035 BCB01_000007 COc1cc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A10 compound treatment -0.0135 -0.0135 -0.53 -0.0064 -0.00641 -0.26 -0.5577 -0.9484 3000678 BCB01_000008 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A11 compound treatment -0.0045 -0.0045 -0.18 0.0016 0.00159 0.07 -0.0779 -0.4162 3093104 BCB01_000009 COc1cc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A12 compound treatment 0.0055 0.0055 0.21 0.0066 0.00659 0.27 0.3424 0.9934 3093105 BCB01_000010 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A13 compound treatment -0.0415 -0.0415 -1.62 -0.0294 -0.0294 -1.21 -1.9956 -0.9895 3000679 BCB01_000011 COc1cc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C3=O)c5ccccc5)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A14 compound treatment -0.0165 -0.0165 -0.64 -0.0024 -0.0024 -0.1 -0.5242 -0.8058 3093106 BCB01_000012 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A15 compound treatment -0.0105 -0.0105 -0.41 -0.0064 -0.0064 -0.26 -0.4745 -0.9769 3093107 BCB01_000013 CCCCCCCCCC(O)C1C=CC2C(N1Nc3cc(OC)c(OC)c(OC)c3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A16 compound treatment -0.0065 -0.0065 -0.25 -4.0E-4 -3.97E-4 -0.02 -0.1907 -0.751 3000680 BCB01_000014 CC(C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A17 compound treatment -0.0325 -0.0325 -1.27 -0.0394 -0.0394 -1.61 -2.0371 -0.9928 3093108 BCB01_000015 COc1cc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C)C3=O)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A18 compound treatment -0.0085 -0.00849 -0.33 -0.0084 -0.00842 -0.34 -0.4779 -0.9998 3093109 BCB01_000016 CC(CC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A19 compound treatment -0.0165 -0.0165 -0.64 -0.0084 -0.00842 -0.34 -0.6983 -0.9574 3000681 BCB01_000017 COc1cc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C)C3=O)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A20 compound treatment 0.0015 0.0015 0.06 -0.0054 -0.00541 -0.22 -0.1155 -0.5041 3093110 BCB01_000018 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccs5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A21 compound treatment -0.0235 -0.0235 -0.92 0.0026 0.00258 0.11 -0.5724 -0.6212 3000682 BCB01_000019 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A22 compound treatment -0.0115 -0.0115 -0.45 -0.0084 -0.00841 -0.34 -0.5606 -0.9916 3093111 BCB01_000020 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A23 mock treatment -0.0045 -0.0045 -0.18 0.0036 0.00358 0.15 -0.0202 -0.0884 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 A24 mock treatment -0.0265 -0.0265 -1.03 -0.0204 -0.0204 -0.84 -1.321 -0.9945 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B01 mock treatment -0.0075 -0.0075 -0.29 0.0056 0.00558 0.23 -0.0449 -0.121 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B02 mock treatment -0.0135 -0.0135 -0.53 6.0E-4 5.86E-4 0.02 -0.3553 -0.6742 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B03 compound treatment 0.0325 0.0325 1.27 0.0336 0.0336 1.38 1.8678 0.9991 3093112 BCB01_000021 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccn4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B04 compound treatment 0.0195 0.0195 0.76 -0.0034 -0.00342 -0.14 0.4384 0.5673 3000683 BCB01_000022 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B05 compound treatment 0.0265 0.0265 1.03 0.0146 0.0146 0.6 1.1519 0.9662 3093113 BCB01_000023 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B06 compound treatment 0.0015 0.0015 0.06 0.0016 0.00158 0.06 0.0871 0.9986 3093114 BCB01_000024 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B07 compound treatment 0.0175 0.0175 0.68 0.0056 0.00558 0.23 0.6435 0.8954 3000684 BCB01_000025 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B08 compound treatment 0.0215 0.0215 0.84 0.0196 0.0196 0.8 1.1606 0.9998 3093115 BCB01_000026 CC(=O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B09 compound treatment 0.0215 0.0215 0.84 0.0266 0.0266 1.09 1.3634 0.9915 3093116 BCB01_000027 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4c(F)cccc4Cl)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B10 compound treatment 0.0135 0.0135 0.53 0.0166 0.0166 0.68 0.8526 0.9919 3000685 BCB01_000028 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(s5)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B11 compound treatment 0.0125 0.0125 0.49 0.0116 0.0116 0.48 0.6805 0.9999 3093117 BCB01_000029 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4c(C)cc(C)cc4C)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B12 compound treatment 0.0085 0.00849 0.33 0.0096 0.00958 0.39 0.5117 0.9964 3093118 BCB01_000030 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B13 compound treatment 0.0285 0.0285 1.11 0.0356 0.0356 1.46 1.8162 0.9909 3000686 BCB01_000031 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccc4C)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B14 compound treatment 0.0255 0.0255 0.99 0.0066 0.00658 0.27 0.8929 0.8678 3093119 BCB01_000032 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccco4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B15 compound treatment 0.0165 0.0165 0.64 0.0086 0.0086 0.35 0.704 0.96 3093120 BCB01_000033 CC(C)c1ccc(NN2C3C(C=CC2C(O)C(c4ccccc4)c5ccccc5)C(=O)N(C3=O)c6ccccc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B16 compound treatment -5.0E-4 -5.05E-4 -0.02 -0.0064 -0.00642 -0.26 -0.1998 -0.7579 3000687 BCB01_000034 CCCCC(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B17 compound treatment 0.0215 0.0215 0.84 0.0066 0.0066 0.27 0.7838 0.8902 3000688 BCB01_000035 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B18 compound treatment 0.0165 0.0165 0.64 0.0106 0.0106 0.43 0.762 0.9818 3093121 BCB01_000036 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B19 compound treatment 0.0145 0.0145 0.56 0.0156 0.0156 0.64 0.8505 0.9981 3093122 BCB01_000037 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B20 compound treatment 0.0115 0.0115 0.45 0.0176 0.0176 0.72 0.8268 0.9737 3093123 BCB01_000038 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B21 compound treatment 0.0095 0.00949 0.37 0.0246 0.0246 1.01 0.9743 0.9073 3000689 BCB01_000039 CC(C)C(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B22 compound treatment 0.0065 0.00649 0.25 -4.0E-4 -4.16E-4 -0.02 0.1668 0.6579 3093124 BCB01_000040 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c5ccccc15 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B23 mock treatment 0.0195 0.0195 0.76 0.0026 0.00258 0.11 0.6123 0.798 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 B24 mock treatment 0.0145 0.0145 0.57 0.0066 0.00658 0.27 0.5904 0.9428 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C01 mock treatment -0.0025 -0.00251 -0.1 -0.0014 -0.00142 -0.06 -0.1101 -0.969 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C02 mock treatment 0.0045 0.0045 0.18 -0.0054 -0.0054 -0.22 -0.0326 -0.1154 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C03 compound treatment -0.0185 -0.0185 -0.72 -0.0264 -0.0264 -1.08 -1.275 -0.9805 3000690 BCB01_000041 COc1cc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C)C3=O)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C04 compound treatment 0.0125 0.0125 0.49 -0.0104 -0.0104 -0.43 0.0433 0.0669 3093125 BCB01_000042 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C05 compound treatment 0.0115 0.0115 0.45 -0.0174 -0.0174 -0.71 -0.1872 -0.2222 3093282 BCB01_000043 COc1cc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C)C3=O)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C06 compound treatment 0.0015 0.0015 0.06 0.0066 0.00659 0.27 0.2322 0.8403 3000691 BCB01_000044 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C07 compound treatment -0.0195 -0.0195 -0.76 -0.0124 -0.0124 -0.51 -0.8963 -0.9809 3093194 BCB01_000045 COc1cc(NN2C3C(C=CC2C(O)C4CCC(CC4)C(=C)C)C(=O)N(C)C3=O)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C08 compound treatment 0.0155 0.0155 0.6 0.0206 0.0206 0.84 1.0228 0.9865 3093195 BCB01_000046 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C09 compound treatment -0.0025 -0.0025 -0.1 -0.0024 -0.00242 -0.1 -0.139 -1.0 3000692 BCB01_000047 COc1cc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C)C3=O)cc(OC)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C10 compound treatment -0.0025 -0.0025 -0.1 0.0056 0.00558 0.23 0.0928 0.373 3093196 BCB01_000048 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)/C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C11 compound treatment -0.0225 -0.0225 -0.88 -0.0234 -0.0234 -0.96 -1.2977 -0.999 3093197 BCB01_000049 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C12 compound treatment 0.0045 0.00451 0.18 0.0036 0.00358 0.15 0.2279 0.9961 3000693 BCB01_000050 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C13 compound treatment -5.0E-4 -5.05E-4 -0.02 0.0016 0.00159 0.07 0.0323 0.4731 3093198 BCB01_000051 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C14 compound treatment -0.0045 -0.00449 -0.18 0.0066 0.00658 0.27 0.0669 0.2081 3000694 BCB01_000052 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C15 compound treatment -0.0105 -0.0105 -0.41 -0.0024 -0.00242 -0.1 -0.3592 -0.8537 3093199 BCB01_000053 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C16 compound treatment 0.0035 0.0035 0.14 -0.0014 -0.00142 -0.06 0.0552 0.3731 3093200 BCB01_000054 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C17 compound treatment -5.0E-4 -5.06E-4 -0.02 6.0E-4 5.83E-4 0.02 0.003 0.0956 3000695 BCB01_000055 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)[N+](=O)[O-])N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C18 compound treatment 0.0015 0.0015 0.06 0.0016 0.00158 0.06 0.0871 0.9986 3093201 BCB01_000056 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)[N+](=O)[O-])N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C19 compound treatment -0.0255 -0.0255 -0.99 6.0E-4 5.93E-4 0.02 -0.6855 -0.6896 3093202 BCB01_000057 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C20 compound treatment -0.0015 -0.0015 -0.06 0.0036 0.00358 0.15 0.0624 0.3947 3000696 BCB01_000058 COc1ccc(cc1)C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C21 compound treatment 0.0015 0.0015 0.06 0.0116 0.0116 0.48 0.3771 0.7879 3093203 BCB01_000059 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C22 compound treatment -0.0205 -0.0205 -0.8 -0.0174 -0.0174 -0.71 -1.0702 -0.9984 3093204 BCB01_000060 CN1C(=O)C2C=CC(C(O)C#Cc3ccccc3)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C23 mock treatment -0.0035 -0.00349 -0.14 -0.0134 -0.0134 -0.55 -0.4845 -0.8565 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 C24 mock treatment 0.0015 0.0015 0.06 -0.0034 -0.00342 -0.14 -0.0578 -0.3812 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D01 mock treatment -0.0045 -0.0045 -0.18 -0.0024 -0.00242 -0.1 -0.1941 -0.9633 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D02 mock treatment 0.0015 0.0015 0.06 0.0026 0.00258 0.11 0.116 0.9604 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D03 compound treatment 5.0E-4 4.95E-4 0.02 0.0176 0.0176 0.72 0.5234 0.7258 3000697 BCB01_000061 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cccc(O)c4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D04 compound treatment -0.0165 -0.0165 -0.64 0.0156 0.0156 0.64 -0.0023 -0.0025 3093205 BCB01_000062 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D05 compound treatment -0.0105 -0.0105 -0.41 -0.0034 -0.00342 -0.14 -0.3881 -0.898 3093206 BCB01_000063 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)B(O)O)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D06 compound treatment 0.0035 0.0035 0.14 -0.0064 -0.00641 -0.26 -0.0894 -0.3021 3000698 BCB01_000064 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccccn4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D07 compound treatment 0.0135 0.0135 0.53 0.0116 0.0116 0.48 0.7077 0.9987 3093207 BCB01_000065 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cn(C(=O)C)c5ccccc45)C(=O)N(C3=O)c6ccccc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D08 compound treatment -0.0055 -0.0055 -0.21 0.0076 0.00758 0.31 0.0681 0.1805 3000792 BCB01_000066 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D09 compound treatment 5.0E-4 4.95E-4 0.02 -0.0094 -0.0094 -0.39 -0.2587 -0.6708 3000794 BCB01_000067 CC(C)c1ccc(NN2C3C(C=CC2C(O)C(C)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D10 compound treatment -0.0035 -0.00349 -0.14 -0.0034 -0.00342 -0.14 -0.1953 -0.9999 3000796 BCB01_000068 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D11 compound treatment 0.0135 0.0135 0.53 0.0156 0.0156 0.64 0.8242 0.9953 3000797 BCB01_000069 CC(C)c1ccc(NN2C3C(C=CC2C(O)CC(C)c4ccc(C)o4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D12 compound treatment -0.0015 -0.0015 -0.06 0.0016 0.00159 0.07 0.0047 0.0536 3093208 BCB01_000070 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4c(F)cccc4Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D13 compound treatment 0.0165 0.0165 0.64 -0.0034 -0.00341 -0.14 0.3554 0.5408 3093209 BCB01_000071 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4cccs4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D14 compound treatment -0.0065 -0.00649 -0.25 0.0076 0.0076 0.31 0.0414 0.1031 3000798 BCB01_000072 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(s4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D15 compound treatment -0.0075 -0.0075 -0.29 -0.0044 -0.00442 -0.18 -0.3347 -0.9734 3093210 BCB01_000073 CC(C)c1ccc(NN2C3C(C=CC2C(O)Cc4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D16 compound treatment -0.0015 -0.0015 -0.06 0.0056 0.0056 0.23 0.1209 0.5102 3000800 BCB01_000074 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D17 compound treatment -0.0085 -0.0085 -0.33 0.0066 0.00657 0.27 -0.0438 -0.1026 3093211 BCB01_000075 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D18 compound treatment -0.0015 -0.0015 -0.06 -0.0014 -0.00142 -0.06 -0.0825 -1.0 3000876 BCB01_000076 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c(C)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D19 compound treatment -0.0035 -0.0035 -0.14 6.0E-4 5.83E-4 0.02 -0.0797 -0.5747 3000877 BCB01_000077 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc5OCOc5c4)C(=O)N(C3=O)c6ccccc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D20 compound treatment 0.0075 0.0075 0.29 -0.0034 -0.00342 -0.14 0.1075 0.3318 3000878 BCB01_000078 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D21 compound treatment -0.0105 -0.0105 -0.41 0.0126 0.0126 0.52 0.0752 0.1143 3000880 BCB01_000079 CC(C)c1ccc(NN2C3C(C=CC2C(O)C4=C[C@H]5C[C@@H](C4)C5(C)C)C(=O)N(C3=O)c6ccccc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D22 compound treatment 0.0055 0.00549 0.21 -4.0E-4 -4.17E-4 -0.02 0.1392 0.6486 3093212 BCB01_000080 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D23 mock treatment -0.0025 -0.0025 -0.1 0.0126 0.0126 0.52 0.2962 0.5635 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 D24 mock treatment 0.0025 0.0025 0.1 0.0056 0.00559 0.23 0.2309 0.9272 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E01 mock treatment 0.0035 0.0035 0.14 0.0176 0.0176 0.72 0.6064 0.826 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E02 mock treatment 0.0155 0.0155 0.6 0.0156 0.0156 0.64 0.8794 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E03 compound treatment 0.0085 0.0085 0.33 -0.0024 -0.00242 -0.1 0.164 0.4747 3000882 BCB01_000081 CN1C(=O)C2C=CC(C(O)C#Cc3ccccc3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E04 compound treatment 0.0125 0.0125 0.49 0.0026 0.00258 0.11 0.4194 0.8411 3093213 BCB01_000082 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E05 compound treatment 0.0165 0.0165 0.64 0.0136 0.0136 0.56 0.8489 0.9975 3093214 BCB01_000083 CN1C(=O)C2C=CC(C(O)C3=CC[C@H](CC3)C(=C)C)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E06 compound treatment 0.0045 0.0045 0.18 -4.0E-4 -4.07E-4 -0.02 0.112 0.6369 3000884 BCB01_000084 CN1C(=O)C2C=CC(C(O)C3CCC(CC3)C(=C)C)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E07 compound treatment 0.0255 0.0255 0.99 0.0186 0.0186 0.76 1.2417 0.9914 3093215 BCB01_000085 CN1C(=O)C2C=CC(C(O)c3ccco3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E08 compound treatment 0.0335 0.0335 1.31 0.0106 0.0106 0.43 1.2304 0.8943 3093216 BCB01_000086 CCCCC(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E09 compound treatment 0.0215 0.0215 0.84 0.0126 0.0126 0.52 0.9571 0.9728 3000885 BCB01_000087 CCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E10 compound treatment 0.0235 0.0235 0.92 0.0206 0.0206 0.84 1.2446 0.9992 3093283 BCB01_000088 CCCCCCCCCCC(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E11 compound treatment -0.0165 -0.0165 -0.64 0.0086 0.0086 0.35 -0.2051 -0.2798 3093284 BCB01_000089 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E12 compound treatment 0.0045 0.0045 0.18 -0.0234 -0.0234 -0.96 -0.555 -0.5687 3000886 BCB01_000090 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E13 compound treatment 0.0215 0.0215 0.84 0.0096 0.00957 0.39 0.8692 0.9404 3093285 BCB01_000091 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E14 compound treatment -0.0025 -0.0025 -0.1 0.0106 0.0106 0.43 0.238 0.535 3093286 BCB01_000092 COc1ccc(C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O)c5ccccc15 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E15 compound treatment 0.0395 0.0395 1.54 0.0186 0.0186 0.76 1.6274 0.9475 3000889 BCB01_000093 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E16 compound treatment -0.0035 -0.0035 -0.14 -0.0064 -0.00641 -0.26 -0.2822 -0.9536 3093287 BCB01_000094 COc1cc(Br)cc(C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O)c1OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E17 compound treatment 5.0E-4 4.95E-4 0.02 0.0226 0.0226 0.93 0.6686 0.7217 3093288 BCB01_000095 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C)C4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E18 compound treatment 0.0155 0.0155 0.6 0.0216 0.0216 0.89 1.0532 0.9826 3000890 BCB01_000096 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3N5CCCCC5)C(=O)N(C)C4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E19 compound treatment 0.0195 0.0195 0.76 0.0306 0.0306 1.25 1.4233 0.9711 3093289 BCB01_000097 CN1C(=O)C2C=CC(C(O)c3ccccn3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E20 compound treatment 0.0065 0.0065 0.25 0.0166 0.0166 0.68 0.6598 0.9093 3093290 BCB01_000098 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2N4CCCCC4)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E21 compound treatment 0.0095 0.0095 0.37 0.0146 0.0146 0.6 0.6839 0.9735 3000891 BCB01_000099 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E22 compound treatment 0.0215 0.0215 0.84 0.0116 0.0116 0.48 0.9287 0.964 3093291 BCB01_000100 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E23 mock treatment 0.0195 0.0195 0.76 0.0156 0.0156 0.64 0.9896 0.9963 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 E24 mock treatment 0.0125 0.0125 0.49 0.0246 0.0246 1.01 1.0572 0.9442 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F01 mock treatment 0.0015 0.0015 0.06 -0.0014 -0.00142 -0.06 1.0E-4 0.0016 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F02 mock treatment 0.0025 0.00249 0.1 -0.0094 -0.0094 -0.39 -0.2036 -0.5128 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F03 compound treatment 0.0075 0.0075 0.29 0.0096 0.00958 0.39 0.4842 0.9894 3093292 BCB01_000101 CC(C)c1ccc(NN2C3C(C=CC2C(O)/C=C(\C)/CCC=C(C)C)C(=O)N(C3=O)c4ccccc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F04 compound treatment -0.0045 -0.0045 -0.18 0.0086 0.0086 0.35 0.1252 0.3179 3000892 BCB01_000102 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(Cl)cc5Cl)C(=O)NC4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F05 compound treatment 0.0285 0.0285 1.11 6.0E-4 5.93E-4 0.02 0.8025 0.7224 3093293 BCB01_000103 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F06 compound treatment 0.0175 0.0175 0.68 0.0126 0.0126 0.52 0.8469 0.9905 3000894 BCB01_000104 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccc5ccccc45 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F07 compound treatment 0.0045 0.00449 0.18 -0.0034 -0.00342 -0.14 0.0247 0.1104 3093294 BCB01_000105 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F08 compound treatment 0.0165 0.0165 0.64 0.0096 0.0096 0.39 0.733 0.9722 3093295 BCB01_000106 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F09 compound treatment 0.0025 0.0025 0.1 -0.0014 -0.00142 -0.06 0.0277 0.2444 3000896 BCB01_000107 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F10 compound treatment 0.0235 0.0235 0.92 0.0096 0.00958 0.39 0.9253 0.9285 3093296 BCB01_000108 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F11 compound treatment 0.0105 0.0105 0.41 0.0116 0.0116 0.47 0.6245 0.9973 3093297 BCB01_000109 CN1C(=O)C2C=CC(C(O)c3ccc(cc3)C(=O)C)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F12 compound treatment 0.0055 0.0055 0.21 -0.0024 -0.00242 -0.1 0.0813 0.3448 3000898 BCB01_000110 CC(C)C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F13 compound treatment 0.0255 0.0255 0.99 0.0136 0.0136 0.56 1.0968 0.9627 3000979 BCB01_000111 CCCCCCCCCCC(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F14 compound treatment 0.0135 0.0135 0.53 0.0226 0.0226 0.93 1.0265 0.9639 3000980 BCB01_000112 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccc(O)c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F15 compound treatment 5.0E-4 4.95E-4 0.02 0.0316 0.0316 1.29 0.9291 0.7176 3000981 BCB01_000113 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F16 compound treatment 0.0015 0.0015 0.06 -0.0034 -0.00341 -0.14 -0.0575 -0.3803 3000982 BCB01_000114 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F17 compound treatment 0.0105 0.0105 0.41 0.0176 0.0176 0.72 0.799 0.9637 3000984 BCB01_000115 COc1ccc(C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O)c4ccccc14 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F18 compound treatment 0.0105 0.0105 0.41 0.0256 0.0256 1.05 1.0314 0.9158 3093298 BCB01_000116 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c(C)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F19 compound treatment 0.0215 0.0215 0.84 0.0136 0.0136 0.56 0.9852 0.9803 3093299 BCB01_000117 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F20 compound treatment 0.0175 0.0175 0.68 0.0146 0.0146 0.6 0.9054 0.9979 3000987 BCB01_000118 CC(=O)N1CC(C(O)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O)c5ccccc15 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F21 compound treatment 0.0065 0.00649 0.25 0.0186 0.0186 0.76 0.7172 0.8938 3093300 BCB01_000119 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F22 compound treatment 0.0075 0.0075 0.29 0.0126 0.0126 0.52 0.5718 0.9635 3093301 BCB01_000120 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F23 mock treatment 0.0165 0.0165 0.64 -0.0104 -0.0104 -0.43 0.1534 0.1989 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 F24 mock treatment 5.0E-4 4.95E-4 0.02 0.0206 0.0206 0.84 0.6107 0.7231 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G01 mock treatment 0.0075 0.00751 0.29 -0.0084 -0.0084 -0.34 -0.0366 -0.081 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G02 mock treatment -0.0015 -0.0015 -0.06 -0.0014 -0.00142 -0.06 -0.0825 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G03 compound treatment -0.0095 -0.00949 -0.37 -4.0E-4 -4.17E-4 -0.02 -0.2737 -0.739 3000990 BCB01_000121 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G04 compound treatment 0.0105 0.0105 0.41 6.0E-4 5.83E-4 0.02 0.306 0.7471 3093302 BCB01_000122 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G05 compound treatment -5.0E-4 -5.05E-4 -0.02 0.0026 0.00258 0.11 0.061 0.5661 3093303 BCB01_000123 CN1C(=O)C2C=CC(C(O)c3c(F)cccc3Cl)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G06 compound treatment -0.0115 -0.0115 -0.45 -0.0034 -0.00342 -0.14 -0.4157 -0.8859 3000991 BCB01_000124 CN1C(=O)C2C=CC(C(O)c3c(C)cc(C)cc3C)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G07 compound treatment 0.0125 0.0125 0.49 0.0126 0.0126 0.52 0.7098 0.9996 3093304 BCB01_000125 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(Nc5ccccc5)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G08 compound treatment 0.0015 0.0015 0.06 -0.0124 -0.0124 -0.51 -0.318 -0.6219 3000992 BCB01_000126 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G09 compound treatment 5.0E-4 4.94E-4 0.02 -4.0E-4 -4.16E-4 -0.02 0.0016 0.0607 3093373 BCB01_000127 CN1C(=O)C2C=CC(C(O)c3c(C)cc(C)cc3C)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G10 compound treatment -0.0115 -0.0115 -0.45 -0.0014 -0.00142 -0.06 -0.358 -0.7921 3093374 BCB01_000128 CN1C(=O)C2C=CC(C(O)/C=C/c3ccc(cc3)[N+](=O)[O-])N(C2C1=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G11 compound treatment -0.0045 -0.0045 -0.18 -0.0134 -0.0134 -0.55 -0.5126 -0.8887 3000993 BCB01_000129 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G12 compound treatment -0.0015 -0.0015 -0.06 6.0E-4 5.93E-4 0.02 -0.0243 -0.3825 3093375 BCB01_000130 CN1C(=O)C2C=CC(C(O)c3cccc4ccccc34)N(C2C1=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G13 compound treatment -0.0025 -0.0025 -0.1 -0.0324 -0.0324 -1.33 -1.0077 -0.757 3093376 BCB01_000131 CN1C(=O)C2C=CC(C(O)/C=C/c3ccc(cc3)[N+](=O)[O-])N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G14 compound treatment -0.0185 -0.0185 -0.72 -0.0104 -0.0104 -0.43 -0.8114 -0.9688 3000994 BCB01_000132 C/C=C/C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G15 compound treatment 5.0E-4 4.95E-4 0.02 -4.0E-4 -4.15E-4 -0.02 0.0016 0.0628 3093377 BCB01_000133 CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c4ccccc4)N(Nc5ccccc5)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G16 compound treatment -0.0135 -0.0135 -0.53 -0.0274 -0.0274 -1.12 -1.1662 -0.9403 3000995 BCB01_000134 CCC(CC)C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G17 compound treatment 0.0115 0.0115 0.45 6.0E-4 5.83E-4 0.02 0.3339 0.7437 3093378 BCB01_000135 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccco5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G18 compound treatment 0.0035 0.0035 0.14 -0.0054 -0.00542 -0.22 -0.0607 -0.233 3000996 BCB01_000136 CC(C)C(O)C1C=CC2C(N1N3CCCCC3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G19 compound treatment -0.0015 -0.0015 -0.06 -0.0174 -0.0174 -0.71 -0.5456 -0.7627 3093379 BCB01_000137 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G20 compound treatment -0.0205 -0.0205 -0.8 6.0E-4 5.83E-4 0.02 -0.5477 -0.6856 3093380 BCB01_000138 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G21 compound treatment -0.0055 -0.0055 -0.21 -0.0114 -0.0114 -0.47 -0.4822 -0.9376 3000997 BCB01_000139 CC(C)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G22 compound treatment -0.0125 -0.0125 -0.49 -0.0084 -0.0084 -0.34 -0.5875 -0.9856 3093381 BCB01_000140 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G23 mock treatment -5.0E-4 -5.05E-4 -0.02 -0.0014 -0.00142 -0.06 -0.055 -0.8965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 G24 mock treatment -0.0255 -0.0255 -0.99 -0.0124 -0.0124 -0.51 -1.0615 -0.9515 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H01 mock treatment -5.0E-4 -5.05E-4 -0.02 -0.0094 -0.00942 -0.39 -0.2868 -0.7422 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H02 mock treatment -0.0165 -0.0165 -0.64 0.0146 0.0146 0.6 -0.0312 -0.0355 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H03 compound treatment -0.0045 -0.00449 -0.18 -0.0044 -0.0044 -0.18 -0.2512 -0.9999 3000998 BCB01_000141 CN1C(=O)C2C=CC(C(O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H04 compound treatment -0.0075 -0.00749 -0.29 -0.0024 -0.0024 -0.1 -0.2759 -0.8957 3093382 BCB01_000142 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H05 compound treatment 0.0045 0.0045 0.18 0.0016 0.00158 0.06 0.1697 0.9087 3093383 BCB01_000143 CN1C(=O)C2C=CC(C(O)c3c(F)cccc3Cl)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H06 compound treatment 0.0015 0.0015 0.06 -0.0074 -0.0074 -0.3 -0.1732 -0.5609 3000999 BCB01_000144 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(C#N)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H07 compound treatment 0.0075 0.0075 0.29 0.0146 0.0146 0.6 0.6297 0.9456 3093384 BCB01_000145 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H08 compound treatment -0.0135 -0.0135 -0.53 -0.0114 -0.0114 -0.47 -0.7026 -0.9983 3093385 BCB01_000146 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc5OCOc5c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H09 compound treatment -0.0115 -0.0115 -0.45 -0.0264 -0.0264 -1.08 -1.0819 -0.9239 3001000 BCB01_000147 CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c4ccccc4)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H10 compound treatment -0.0035 -0.0035 -0.14 0.0156 0.0156 0.64 0.3556 0.5438 3001068 BCB01_000148 CC1(C)[C@H]2CC1C=C(C2)C(O)C3C=CC4C(N3Nc5ccc(Cl)cc5Cl)C(=O)NC4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H11 compound treatment -0.0125 -0.0125 -0.49 -0.0184 -0.0184 -0.75 -0.8779 -0.9776 3001069 BCB01_000149 CN1C(=O)C2C=CC(C(O)c3cccc4ccccc34)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H12 compound treatment -0.0065 -0.0065 -0.25 -0.0144 -0.0144 -0.59 -0.5963 -0.9288 3001070 BCB01_000150 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccc(Cl)cc4Cl)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H13 compound treatment 0.0125 0.0125 0.49 -0.0144 -0.0144 -0.59 -0.0735 -0.0961 3001072 BCB01_000151 C/C=C/C(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H14 compound treatment 0.0045 0.0045 0.18 -4.0E-4 -4.14E-4 -0.02 0.1118 0.6356 3093386 BCB01_000152 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)/C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H15 compound treatment -0.0035 -0.0035 -0.14 0.0076 0.00758 0.31 0.1232 0.3629 3001073 BCB01_000153 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(NC(=O)OC(C)(C)C)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H16 compound treatment 0.0025 0.0025 0.1 0.0016 0.00158 0.06 0.1146 0.9807 3093387 BCB01_000154 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H17 compound treatment 0.0075 0.0075 0.29 -0.0094 -0.0094 -0.39 -0.0658 -0.1362 3093388 BCB01_000155 COC(=O)c1ccc(o1)C(O)C2C=CC3C(N2NC(=O)OC(C)(C)C)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H18 compound treatment 0.0085 0.0085 0.33 0.0026 0.00259 0.11 0.3092 0.8894 3001076 BCB01_000156 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(I)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H19 compound treatment -0.0015 -0.00149 -0.06 -0.0034 -0.0034 -0.14 -0.1396 -0.9252 3093389 BCB01_000157 CC(C(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H20 compound treatment 0.0125 0.0125 0.49 0.0096 0.00959 0.39 0.6219 0.9944 3093390 BCB01_000158 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H21 compound treatment -0.0035 -0.0035 -0.14 -0.0024 -0.00241 -0.1 -0.1663 -0.9873 3001078 BCB01_000159 CC(CC(O)C1C=CC2C(N1NC(=O)OC(C)(C)C)C(=O)N(C)C2=O)c3ccc(C)o3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H22 compound treatment 0.0135 0.0135 0.53 0.0186 0.0186 0.76 0.91 0.9837 3093391 BCB01_000160 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H23 mock treatment -0.0065 -0.00649 -0.25 0.0136 0.0136 0.56 0.2153 0.3517 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 H24 mock treatment -0.0015 -0.0015 -0.06 -0.0054 -0.00542 -0.22 -0.1984 -0.864 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I01 mock treatment 0.0115 0.0115 0.45 6.0E-4 5.83E-4 0.02 0.3339 0.7437 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I02 mock treatment -0.0075 -0.00749 -0.29 0.0036 0.00358 0.15 -0.1026 -0.3141 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I03 compound treatment 0.0185 0.0185 0.72 0.0036 0.00359 0.15 0.6134 0.8344 3001079 BCB01_000161 CN1C(=O)C2C=CC(C(O)c3cccc(O)c3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I04 compound treatment -0.0125 -0.0125 -0.49 -0.0184 -0.0184 -0.75 -0.8773 -0.9776 3093392 BCB01_000162 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I05 compound treatment -0.0075 -0.0075 -0.29 0.0096 0.00957 0.39 0.0707 0.1444 3093393 BCB01_000163 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I06 compound treatment -0.0035 -0.0035 -0.14 -4.0E-4 -4.17E-4 -0.02 -0.1086 -0.7895 3001081 BCB01_000164 CN1C(=O)C2C=CC(C(O)C3=CC[C@H](CC3)C(=C)C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I07 compound treatment -0.0035 -0.00349 -0.14 0.0046 0.00458 0.19 0.0365 0.1575 3093394 BCB01_000165 CN1C(=O)C2C=CC(C(O)c3cn(C(=O)C)c4ccccc34)N(Nc5ccccc5)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I08 compound treatment -0.0185 -0.0185 -0.72 -0.0304 -0.0304 -1.25 -1.3909 -0.9663 3093395 BCB01_000166 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I09 compound treatment 0.0045 0.00449 0.18 -0.0114 -0.0114 -0.47 -0.2065 -0.414 3001082 BCB01_000167 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I10 compound treatment 0.0065 0.0065 0.25 0.0066 0.00658 0.27 0.3697 0.9995 3093464 BCB01_000168 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I11 compound treatment -0.0105 -0.0105 -0.41 -0.0064 -0.00641 -0.26 -0.4751 -0.977 3001083 BCB01_000169 CC(C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I12 compound treatment 0.0015 0.0015 0.06 -0.0064 -0.00642 -0.26 -0.1448 -0.5374 3093465 BCB01_000170 CN1C(=O)C2C=CC(C(O)c3cccn3C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I13 compound treatment 0.0085 0.0085 0.33 -0.0024 -0.00242 -0.1 0.164 0.4747 3093466 BCB01_000171 CC(CC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C)C2=O)c4ccc(C)o4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I14 compound treatment -5.0E-4 -4.95E-4 -0.02 -0.0094 -0.0094 -0.39 -0.2859 -0.7416 3001084 BCB01_000172 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I15 compound treatment -0.0195 -0.0195 -0.76 -0.0024 -0.00242 -0.1 -0.6074 -0.7926 3093467 BCB01_000173 CN1C(=O)C2C=CC(C(O)c3cccs3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I16 compound treatment -0.0235 -0.0235 -0.92 -0.0094 -0.00942 -0.39 -0.9201 -0.9262 3093468 BCB01_000174 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I17 compound treatment 0.0185 0.0185 0.72 -0.0074 -0.00741 -0.3 0.2946 0.377 3001085 BCB01_000175 CN1C(=O)C2C=CC(C(O)Cc3ccccc3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I18 compound treatment 0.0185 0.0185 0.72 -0.0074 -0.0074 -0.3 0.2955 0.3778 3093469 BCB01_000176 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I19 compound treatment -0.0085 -0.0085 -0.33 0.0066 0.00658 0.27 -0.0435 -0.1019 3001086 BCB01_000177 CN1C(=O)C2C=CC(C(O)C3=C[C@H]4C[C@@H](C3)C4(C)C)N(Nc5ccccc5)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I20 compound treatment 0.0045 0.00449 0.18 -0.0044 -0.00442 -0.18 -0.0042 -0.0166 3093470 BCB01_000178 CN1C(=O)C2C=CC(C(O)C3=C[C@H]4C[C@@H](C3)C4(C)C)N(Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I21 compound treatment 0.0085 0.0085 0.33 -0.0124 -0.0124 -0.51 -0.1252 -0.2065 3001087 BCB01_000179 CN1C(=O)C2C=CC(C(O)c3ccc(Br)cc3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I22 compound treatment -0.0085 -0.0085 -0.33 -0.0064 -0.00642 -0.26 -0.4202 -0.9934 3093471 BCB01_000180 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I23 mock treatment 0.0075 0.0075 0.29 0.0036 0.00358 0.15 0.3103 0.9494 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 I24 mock treatment -0.0075 -0.0075 -0.29 -0.0284 -0.0284 -1.16 -1.0295 -0.8581 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J01 mock treatment -0.0075 -0.0075 -0.29 -0.0144 -0.0144 -0.59 -0.6239 -0.9476 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J02 mock treatment -0.0275 -0.0275 -1.07 0.0026 0.00258 0.11 -0.6829 -0.6342 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J03 compound treatment -0.0035 -0.0035 -0.14 -0.0244 -0.0244 -1.0 -0.8038 -0.7963 3093472 BCB01_000181 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J04 compound treatment 0.0215 0.0215 0.84 0.0126 0.0126 0.52 0.9568 0.973 3001088 BCB01_000182 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J05 compound treatment -0.0045 -0.0045 -0.18 -0.0014 -0.00142 -0.06 -0.1651 -0.8933 3093473 BCB01_000183 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(I)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J06 compound treatment 0.0115 0.0115 0.45 0.0286 0.0286 1.17 1.1447 0.9131 3093474 BCB01_000184 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J07 compound treatment 0.0075 0.00749 0.29 -0.0074 -0.0074 -0.3 -0.0079 -0.0189 3001089 BCB01_000185 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J08 compound treatment 0.0195 0.0195 0.76 0.0016 0.00159 0.07 0.583 0.7651 3001153 BCB01_000186 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J09 compound treatment 0.0015 0.0015 0.06 -0.0094 -0.00942 -0.39 -0.2316 -0.5935 3001154 BCB01_000187 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J10 compound treatment 5.0E-4 4.95E-4 0.02 0.0096 0.00957 0.39 0.291 0.741 3001156 BCB01_000188 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J11 compound treatment 0.0045 0.0045 0.18 0.0026 0.00257 0.11 0.1984 0.9705 3001157 BCB01_000189 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J12 compound treatment 0.0045 0.0045 0.18 0.0046 0.00458 0.19 0.2566 0.9994 3093475 BCB01_000190 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccco4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J13 compound treatment -0.0255 -0.0255 -0.99 -0.0084 -0.00841 -0.34 -0.9463 -0.8997 3093476 BCB01_000191 CC(=O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J14 compound treatment 0.0055 0.0055 0.21 0.0116 0.0116 0.47 0.4867 0.9354 3001159 BCB01_000192 CCCCC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J15 compound treatment 0.0045 0.0045 0.18 -0.0104 -0.0104 -0.43 -0.1774 -0.3852 3093477 BCB01_000193 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J16 compound treatment 0.0105 0.0105 0.41 0.0026 0.00259 0.11 0.3643 0.8622 3001160 BCB01_000194 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J17 compound treatment 0.0125 0.0125 0.49 -0.0114 -0.0114 -0.47 0.0143 0.0212 3093478 BCB01_000195 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J18 compound treatment 0.0155 0.0155 0.6 0.0126 0.0126 0.52 0.7909 0.9969 3093479 BCB01_000196 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J19 compound treatment 0.0065 0.00649 0.25 -0.0044 -0.0044 -0.18 0.0512 0.1651 3001161 BCB01_000197 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccco5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J20 compound treatment 0.0275 0.0275 1.07 0.0076 0.00759 0.31 0.9772 0.8763 3093480 BCB01_000198 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c5ccccc15 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J21 compound treatment 0.0025 0.0025 0.1 0.0086 0.00858 0.35 0.3175 0.8699 3093481 BCB01_000199 CCCCC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J22 compound treatment 0.0175 0.0175 0.68 -0.0024 -0.00241 -0.1 0.412 0.5985 3001163 BCB01_000200 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J23 mock treatment -0.0115 -0.0115 -0.45 -0.0214 -0.0214 -0.88 -0.9367 -0.9514 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 J24 mock treatment -0.0015 -0.00151 -0.06 -0.0014 -0.00142 -0.06 -0.0826 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K01 mock treatment 0.0175 0.0175 0.68 6.0E-4 5.83E-4 0.02 0.4992 0.7314 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K02 mock treatment -0.0045 -0.0045 -0.18 -0.0144 -0.0144 -0.59 -0.5412 -0.8794 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K03 compound treatment -0.0025 -0.0025 -0.1 -0.0074 -0.00741 -0.3 -0.2836 -0.8896 3093482 BCB01_000201 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(Nc4ccccc4)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K04 compound treatment 0.0015 0.0015 0.06 -0.0014 -0.00142 -0.06 2.0E-4 0.0023 3001164 BCB01_000202 CN1C(=O)C2C=CC(C(O)c3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K05 compound treatment -0.0055 -0.0055 -0.21 0.0076 0.00759 0.31 0.0684 0.1809 3093483 BCB01_000203 CN1C(=O)C2C=CC(C(O)/C=C(\C)/CCC=C(C)C)N(Nc3ccccc3)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K06 compound treatment 0.0075 0.0075 0.29 -0.0054 -0.00542 -0.22 0.0495 0.1351 3093484 BCB01_000204 CN1C(=O)C2C=CC(C(O)c3ccc(I)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K07 compound treatment -0.0335 -0.0335 -1.3 0.0076 0.0076 0.31 -0.7024 -0.5236 3000112 BCB01_000205 CN1C(=O)C2C=CC(C(O)C(C)(C)C)N(Nc3ccccc3)C2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K08 compound treatment -0.0125 -0.0125 -0.49 -0.0044 -0.00442 -0.18 -0.4725 -0.9091 3000114 BCB01_000206 COc1ccc(cc1)C(O)C2C=CC3C(N2N(c4ccccc4)c5ccccc5)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K09 compound treatment -0.0065 -0.00649 -0.25 -0.0064 -0.00642 -0.26 -0.3648 -0.9998 3000115 BCB01_000207 CCCCC(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K10 compound treatment 0.0055 0.0055 0.21 -0.0104 -0.0104 -0.43 -0.1504 -0.3149 3000116 BCB01_000208 CN1C(=O)C2C=CC(C(O)C3CCCCC3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K11 compound treatment 0.0115 0.0115 0.45 0.0046 0.00458 0.19 0.4495 0.9255 3000118 BCB01_000209 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(I)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K12 compound treatment -0.0025 -0.0025 -0.1 -0.0054 -0.00542 -0.22 -0.2259 -0.9319 3093485 BCB01_000210 CCCCC(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K13 compound treatment -0.0275 -0.0275 -1.07 -0.0094 -0.0094 -0.39 -1.03 -0.9046 3093645 BCB01_000211 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K14 compound treatment 0.0025 0.0025 0.1 -0.0054 -0.00542 -0.22 -0.0882 -0.3641 3000120 BCB01_000212 CN1C(=O)C2C=CC(C(O)c3ccc(F)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K15 compound treatment 0.0155 0.0155 0.6 0.0066 0.00659 0.27 0.6177 0.9344 3093555 BCB01_000213 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K16 compound treatment 0.0025 0.0025 0.1 0.0056 0.0056 0.23 0.2312 0.927 3093556 BCB01_000214 COc1ccc(C(O)C2C=CC3C(N2N(c4ccccc4)c5ccccc5)C(=O)N(C)C3=O)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K17 compound treatment 0.0075 0.0075 0.29 0.0096 0.00959 0.39 0.4845 0.9893 3000122 BCB01_000215 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K18 compound treatment 0.0215 0.0215 0.84 -0.0044 -0.00441 -0.18 0.4642 0.5421 3093557 BCB01_000216 CN1C(=O)C2C=CC(C(O)c3ccccn3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K19 compound treatment -0.0095 -0.00949 -0.37 -0.0174 -0.0174 -0.71 -0.7657 -0.9533 3000123 BCB01_000217 OC(C#Cc1ccccc1)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K20 compound treatment -0.0145 -0.0145 -0.56 -0.0064 -0.00642 -0.26 -0.5853 -0.9395 3093558 BCB01_000218 CN1C(=O)C2C=CC(C(O)c3ccc(s3)c4ccccc4)N(C2C1=O)N(c5ccccc5)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K21 compound treatment 0.0015 0.0015 0.06 -0.0144 -0.0144 -0.59 -0.376 -0.6342 3093559 BCB01_000219 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K22 compound treatment 0.0035 0.0035 0.14 -4.0E-4 -4.17E-4 -0.02 0.0842 0.6135 3000124 BCB01_000220 CN1C(=O)C2C=CC(C(O)c3ccccc3C)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K23 mock treatment -0.0035 -0.00349 -0.14 -0.0054 -0.0054 -0.22 -0.2527 -0.9728 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 K24 mock treatment -0.0125 -0.0125 -0.49 0.0026 0.00258 0.11 -0.2693 -0.5407 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L01 mock treatment -0.0055 -0.0055 -0.21 0.0046 0.00458 0.19 -0.0188 -0.0661 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L02 mock treatment 0.0105 0.0105 0.41 0.0106 0.0106 0.43 0.5959 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L03 compound treatment 0.0095 0.0095 0.37 0.0076 0.00758 0.31 0.4814 0.9963 3093560 BCB01_000221 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L04 compound treatment 0.0325 0.0325 1.27 0.0236 0.0236 0.97 1.5781 0.9911 3093561 BCB01_000222 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccn5)C(=O)NC4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L05 compound treatment 0.0065 0.0065 0.25 0.0066 0.00658 0.27 0.3697 0.9995 3000127 BCB01_000223 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L06 compound treatment 0.0165 0.0165 0.64 -0.0084 -0.00843 -0.35 0.2102 0.2882 3093562 BCB01_000224 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L07 compound treatment 0.0075 0.0075 0.29 0.0066 0.00658 0.27 0.3973 0.9992 3093563 BCB01_000225 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L08 compound treatment -0.0125 -0.0125 -0.49 -0.0274 -0.0274 -1.12 -1.1395 -0.9301 3000128 BCB01_000226 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L09 compound treatment 0.0315 0.0315 1.23 0.0216 0.0216 0.89 1.494 0.9871 3093564 BCB01_000227 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L10 compound treatment 0.0035 0.0035 0.14 0.0216 0.0216 0.89 0.7223 0.8064 3000129 BCB01_000228 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4c(F)cccc4Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L11 compound treatment 0.0135 0.0135 0.53 0.0196 0.0196 0.8 0.9401 0.979 3093565 BCB01_000229 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(C#N)cc5)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L12 compound treatment 0.0235 0.0235 0.92 0.0206 0.0206 0.84 1.2432 0.9992 3093566 BCB01_000230 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(s4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L13 compound treatment 0.0115 0.0115 0.45 0.0046 0.00458 0.19 0.4495 0.9256 3000131 BCB01_000231 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L14 compound treatment 0.0235 0.0235 0.91 0.0196 0.0196 0.8 1.2141 0.9978 3093567 BCB01_000232 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L15 compound treatment 0.0145 0.0145 0.57 0.0096 0.0096 0.39 0.6779 0.9843 3093568 BCB01_000233 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L16 compound treatment 0.0265 0.0265 1.03 0.0236 0.0236 0.97 1.4127 0.9995 3000133 BCB01_000234 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c(C)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L17 compound treatment 0.0265 0.0265 1.03 0.0326 0.0326 1.34 1.6747 0.9919 3093569 BCB01_000235 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L18 compound treatment 0.0405 0.0405 1.58 0.0156 0.0156 0.64 1.5669 0.9207 3000205 BCB01_000236 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L19 compound treatment 0.0115 0.0115 0.45 0.0106 0.0106 0.43 0.6234 0.9999 3000206 BCB01_000237 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c(C)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L20 compound treatment 0.0175 0.0175 0.68 0.0056 0.00558 0.23 0.6435 0.8954 3000207 BCB01_000238 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L21 compound treatment 0.0075 0.0075 0.29 0.0106 0.0106 0.43 0.5132 0.9815 3000208 BCB01_000239 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L22 compound treatment 0.0315 0.0315 1.23 0.0296 0.0296 1.21 1.7249 1.0 3093570 BCB01_000240 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccn5)C(=O)NC4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L23 mock treatment 0.0155 0.0155 0.6 0.0116 0.0116 0.48 0.7634 0.993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 L24 mock treatment 0.0205 0.0205 0.8 0.0196 0.0196 0.8 1.133 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M01 mock treatment 0.0225 0.0225 0.88 0.0226 0.0226 0.93 1.275 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M02 mock treatment 0.0215 0.0215 0.84 0.0026 0.00258 0.11 0.6674 0.7902 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M03 compound treatment 0.0145 0.0145 0.56 0.0226 0.0226 0.93 1.0544 0.9718 3000209 BCB01_000241 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccco5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M04 compound treatment 0.0255 0.0255 0.99 0.0146 0.0146 0.6 1.1259 0.9705 3093571 BCB01_000242 C/C=C/C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M05 compound treatment 0.0125 0.0125 0.49 0.0046 0.00458 0.19 0.477 0.9142 3093572 BCB01_000243 CCCCC(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M06 compound treatment 0.0155 0.0155 0.6 0.0146 0.0146 0.6 0.85 1.0 3000211 BCB01_000244 CC(C)C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M07 compound treatment 0.0095 0.0095 0.37 0.0166 0.0166 0.68 0.7424 0.9591 3093573 BCB01_000245 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M08 compound treatment 0.0065 0.00651 0.25 -0.0084 -0.00842 -0.34 -0.0647 -0.1511 3093574 BCB01_000246 CN1C(=O)C2C=CC(C(O)C3CCC=CC3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M09 compound treatment 0.0065 0.00649 0.25 0.0106 0.0106 0.43 0.485 0.967 3000213 BCB01_000247 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M10 compound treatment 0.0015 0.0015 0.06 -0.0124 -0.0124 -0.51 -0.318 -0.6219 3093575 BCB01_000248 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M11 compound treatment 0.0235 0.0235 0.92 0.0086 0.00858 0.35 0.8963 0.9136 3000215 BCB01_000249 COc1ccc(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M12 compound treatment 0.0075 0.0075 0.29 -0.0084 -0.00842 -0.34 -0.0374 -0.0827 3093576 BCB01_000250 CC(C(O)C1C=CC2C(N1N(c3ccccc3)c4ccccc4)C(=O)N(C)C2=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M13 compound treatment 0.0125 0.0125 0.49 0.0086 0.00858 0.35 0.5927 0.9873 3093646 BCB01_000251 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M14 compound treatment 0.0095 0.00951 0.37 0.0136 0.0136 0.56 0.6558 0.9803 3000219 BCB01_000252 CN1C(=O)C2C=CC(C(O)c3cccs3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M15 compound treatment 0.0145 0.0145 0.56 6.0E-4 5.83E-4 0.02 0.416 0.7364 3093647 BCB01_000253 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M16 compound treatment 0.0075 0.0075 0.29 -0.0224 -0.0224 -0.92 -0.4425 -0.4594 3000221 BCB01_000254 CN1C(=O)C2C=CC(C(O)Cc3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M17 compound treatment 0.0105 0.0105 0.41 0.0266 0.0266 1.09 1.0595 0.9103 3093648 BCB01_000255 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccccn5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M18 compound treatment 0.0215 0.0215 0.84 0.0146 0.0146 0.6 1.0156 0.9864 3093649 BCB01_000256 CN1C(=O)C2C=CC(C(O)c3ccc(Br)cc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M19 compound treatment 0.0115 0.0115 0.45 0.0026 0.00259 0.11 0.3918 0.8512 3000223 BCB01_000257 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M20 compound treatment -0.0065 -0.0065 -0.25 0.0036 0.0036 0.15 -0.0748 -0.255 3093650 BCB01_000258 CN1C(=O)C2C=CC(C(O)COCc3ccccc3)N(C2C1=O)N(c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M21 compound treatment 0.0065 0.0065 0.25 0.0076 0.00758 0.31 0.3987 0.9948 3093651 BCB01_000259 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M22 compound treatment 0.0215 0.0215 0.84 0.0226 0.0226 0.93 1.246 0.9988 3000225 BCB01_000260 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M23 mock treatment 0.0105 0.0105 0.41 -0.0014 -0.00142 -0.06 0.2483 0.6008 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 M24 mock treatment -0.0095 -0.0095 -0.37 -0.0054 -0.00542 -0.22 -0.4188 -0.9701 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N01 mock treatment -0.0145 -0.0145 -0.56 0.0026 0.00258 0.11 -0.3245 -0.5647 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N02 mock treatment -0.0135 -0.0135 -0.53 -0.0194 -0.0194 -0.79 -0.9339 -0.9799 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N03 compound treatment 0.0135 0.0135 0.53 -0.0094 -0.0094 -0.39 0.0998 0.153 3093652 BCB01_000261 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(C#N)cc5)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N04 compound treatment 0.0115 0.0115 0.45 -4.0E-4 -4.07E-4 -0.02 0.3049 0.6803 3093653 BCB01_000262 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cccc5ccccc45 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N05 compound treatment 0.0045 0.0045 0.18 0.0026 0.00258 0.11 0.1987 0.9709 3000227 BCB01_000263 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N06 compound treatment 0.0015 0.0015 0.06 0.0136 0.0136 0.56 0.4345 0.7769 3093654 BCB01_000264 C/C=C/C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N07 compound treatment -0.0095 -0.0095 -0.37 -0.0014 -0.00142 -0.06 -0.3029 -0.8081 3093655 BCB01_000265 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N08 compound treatment -0.0245 -0.0245 -0.95 0.0016 0.00158 0.06 -0.6292 -0.6575 3000229 BCB01_000266 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N09 compound treatment -0.0345 -0.0345 -1.34 -0.0254 -0.0254 -1.04 -1.6863 -0.992 3093656 BCB01_000267 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N10 compound treatment 0.0105 0.0105 0.41 0.0066 0.00658 0.27 0.4796 0.9797 3000231 BCB01_000268 CC(C)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N11 compound treatment -0.0115 -0.0115 -0.45 -0.0244 -0.0244 -1.0 -1.0239 -0.9345 3093657 BCB01_000269 CC(C)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N12 compound treatment 0.0225 0.0225 0.88 0.0156 0.0156 0.64 1.0708 0.9879 3000297 BCB01_000270 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N13 compound treatment -0.0085 -0.00849 -0.33 -0.0224 -0.0224 -0.92 -0.883 -0.905 3000298 BCB01_000271 OB(O)c1ccc(cc1)C(O)C2C=CC3CN(C(=O)C3N2Nc4ccc(C#N)cc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N14 compound treatment 0.0195 0.0195 0.76 -0.0014 -0.00141 -0.06 0.496 0.6515 3000299 BCB01_000272 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O)c5ccccc15 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N15 compound treatment -0.0105 -0.0105 -0.41 0.0126 0.0126 0.52 0.0758 0.115 3093658 BCB01_000273 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N16 compound treatment 0.0155 0.0155 0.6 0.0046 0.00459 0.19 0.5597 0.8856 3093659 BCB01_000274 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N17 compound treatment -0.0085 -0.00849 -0.33 -0.0194 -0.0194 -0.79 -0.7961 -0.9246 3000301 BCB01_000275 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N18 compound treatment 0.0245 0.0245 0.95 0.0066 0.00657 0.27 0.865 0.8726 3093660 BCB01_000276 CC(C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N19 compound treatment -0.0135 -0.0135 -0.53 -0.0164 -0.0164 -0.67 -0.8469 -0.9926 3093661 BCB01_000277 COC(=O)c1ccc(o1)C(O)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N20 compound treatment 0.0155 0.0155 0.6 0.0176 0.0176 0.72 0.9358 0.9961 3000302 BCB01_000278 CC(CC(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(C)o4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N21 compound treatment 0.0135 0.0135 0.53 -0.0054 -0.00542 -0.22 0.2151 0.3767 3093662 BCB01_000279 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N22 compound treatment 0.0105 0.0105 0.41 0.0096 0.00957 0.39 0.5663 0.9998 3093663 BCB01_000280 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N23 mock treatment 0.0055 0.0055 0.21 -0.0084 -0.0084 -0.34 -0.0919 -0.2267 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 N24 mock treatment 0.0035 0.0035 0.14 6.0E-4 5.83E-4 0.02 0.1132 0.8186 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O01 mock treatment 0.0075 0.00751 0.29 0.0156 0.0156 0.64 0.6589 0.9371 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O02 mock treatment 0.0195 0.0195 0.76 0.0076 0.00758 0.31 0.7572 0.9222 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O03 compound treatment 0.0235 0.0235 0.92 0.0016 0.00158 0.06 0.6931 0.7553 3000303 BCB01_000281 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O04 compound treatment 0.0115 0.0115 0.45 0.0036 0.00358 0.15 0.4208 0.8921 3093664 BCB01_000282 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O05 compound treatment 0.0095 0.0095 0.37 0.0106 0.0106 0.43 0.5688 0.9968 3093665 BCB01_000283 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5ccc(s5)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O06 compound treatment 0.0165 0.0165 0.64 0.0106 0.0106 0.43 0.7614 0.9816 3000304 BCB01_000284 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccn5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O07 compound treatment -0.0085 -0.0085 -0.33 0.0106 0.0106 0.43 0.0729 0.1335 3093666 BCB01_000285 Cn1cccc1C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O08 compound treatment 0.0275 0.0275 1.07 6.0E-4 5.93E-4 0.02 0.7744 0.723 3093667 BCB01_000286 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)C(=O)C)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O09 compound treatment 0.0075 0.00751 0.29 6.0E-4 5.83E-4 0.02 0.2237 0.7623 3000307 BCB01_000287 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5)c(C)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O10 compound treatment -0.0075 -0.00749 -0.29 -0.0184 -0.0184 -0.75 -0.7396 -0.9148 3093736 BCB01_000288 CC(C)c1ccc(NN2C3C(C=CC2C(O)C4CCCCC4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O11 compound treatment 0.0085 0.00849 0.33 -0.0044 -0.00441 -0.18 0.1061 0.2815 3000308 BCB01_000289 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O12 compound treatment 0.0175 0.0175 0.68 -0.0054 -0.00541 -0.22 0.325 0.4537 3093737 BCB01_000290 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O13 compound treatment -0.0065 -0.0065 -0.25 6.0E-4 5.93E-4 0.02 -0.162 -0.6364 3093738 BCB01_000291 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O14 compound treatment -5.0E-4 -5.05E-4 -0.02 0.0046 0.00458 0.19 0.1189 0.6296 3000310 BCB01_000292 CCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)C(C)C)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O15 compound treatment 0.0315 0.0315 1.23 0.0076 0.0076 0.31 1.0883 0.8593 3093739 BCB01_000293 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccc5)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O16 compound treatment 0.0015 0.0015 0.06 0.0096 0.00957 0.39 0.3186 0.8033 3000311 BCB01_000294 CC(C)c1ccc(NN2C3C(C=CC2C(O)c4ccc(F)cc4)C(=O)N(C3=O)c5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O17 compound treatment 0.0125 0.0125 0.49 0.0106 0.0106 0.43 0.6509 0.9983 3093740 BCB01_000295 OC(C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O18 compound treatment 0.0155 0.0155 0.6 -0.0084 -0.0084 -0.34 0.1833 0.2639 3093741 BCB01_000296 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O19 compound treatment 0.0015 0.0015 0.06 -0.0074 -0.00742 -0.3 -0.1737 -0.5613 3000313 BCB01_000297 C/C=C/C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O20 compound treatment 0.0015 0.0015 0.06 0.0036 0.00359 0.15 0.1453 0.9177 3093742 BCB01_000298 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2Nc4ccc(cc4)C(C)C)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O21 compound treatment 0.0125 0.0125 0.49 -0.0034 -0.0034 -0.14 0.2461 0.4857 3000315 BCB01_000299 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O22 compound treatment 0.0195 0.0195 0.76 0.0086 0.00857 0.35 0.7852 0.9387 3093743 BCB01_000300 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5)C(C)C)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O23 mock treatment 0.0235 0.0235 0.92 -0.0054 -0.00542 -0.22 0.4906 0.5207 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 O24 mock treatment -0.0025 -0.0025 -0.1 -0.0194 -0.0194 -0.79 -0.6311 -0.788 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P01 mock treatment -0.0375 -0.0375 -1.46 -0.0204 -0.0204 -0.84 -1.624 -0.9649 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P02 mock treatment -0.0065 -0.0065 -0.25 -0.0054 -0.00542 -0.22 -0.3361 -0.9978 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P03 compound treatment -0.0085 -0.00849 -0.33 0.0066 0.00658 0.27 -0.0432 -0.1012 3000135 BCB01_000301 CC(C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P04 compound treatment 0.0075 0.0075 0.29 -4.0E-4 -4.07E-4 -0.02 0.1947 0.6656 3000137 BCB01_000302 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P05 compound treatment -0.0235 -0.0235 -0.92 -0.0394 -0.0394 -1.61 -1.7897 -0.9639 3000138 BCB01_000303 CC(CC(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P06 compound treatment 0.0095 0.00949 0.37 -0.0134 -0.0134 -0.55 -0.1272 -0.1921 3000139 BCB01_000304 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(C#N)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P07 compound treatment -0.0255 -0.0255 -0.99 -0.0244 -0.0244 -1.0 -1.4096 -1.0 3093744 BCB01_000305 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5cccs5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P08 compound treatment 0.0045 0.0045 0.18 0.0066 0.00659 0.27 0.3149 0.978 3000141 BCB01_000306 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc5OCOc5c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P09 compound treatment -0.0105 -0.0105 -0.41 -0.0254 -0.0254 -1.04 -1.0253 -0.9168 3093745 BCB01_000307 OC(C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P10 compound treatment 0.0015 0.0015 0.06 -0.0134 -0.0134 -0.55 -0.3473 -0.6286 3093746 BCB01_000308 OC(C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)c4ccc(Br)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P11 compound treatment -0.0325 -0.0325 -1.27 -0.0414 -0.0414 -1.7 -2.0948 -0.9896 3000143 BCB01_000309 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccc(C#N)cc4)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P12 compound treatment -0.0095 -0.0095 -0.37 -0.0084 -0.0084 -0.34 -0.5052 -0.9993 3093747 BCB01_000310 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccn4)C(=O)NC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P13 compound treatment -0.0105 -0.0105 -0.41 -0.0414 -0.0414 -1.7 -1.489 -0.8532 3093748 BCB01_000311 CC(=CCC/C=C(\C)/C(O)C1C=CC2C(N1Nc3ccc(C#N)cc3)C(=O)N(C2=O)c4ccccc4)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P14 compound treatment 0.0145 0.0145 0.56 -0.0054 -0.00541 -0.22 0.2424 0.3998 3000145 BCB01_000312 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O)/C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P15 compound treatment -0.0185 -0.0185 -0.72 -0.0094 -0.00941 -0.39 -0.7824 -0.957 3093749 BCB01_000313 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P16 compound treatment -0.0065 -0.00649 -0.25 -0.0174 -0.0174 -0.71 -0.6831 -0.9029 3093750 BCB01_000314 OCC(O)C(O)C1C=CC2C(N1Nc3ccccn3)C(=O)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P17 compound treatment -0.0115 -0.0115 -0.45 -0.0374 -0.0374 -1.53 -1.4004 -0.8771 3000147 BCB01_000315 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(I)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P18 compound treatment -0.0245 -0.0245 -0.95 -0.0124 -0.0124 -0.51 -1.0346 -0.9566 3093751 BCB01_000316 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P19 compound treatment -0.0175 -0.0175 -0.68 -0.0134 -0.0134 -0.55 -0.8701 -0.9943 3093752 BCB01_000317 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P20 compound treatment -0.0085 -0.0085 -0.33 -0.0104 -0.0104 -0.43 -0.5362 -0.9922 3000149 BCB01_000318 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P21 compound treatment -0.0305 -0.0305 -1.19 -0.0094 -0.00942 -0.39 -1.1132 -0.8909 3093752 BCB01_000319 OC(C1C=CC2C(N1Nc3ccc(Cl)cc3Cl)C(=O)NC2=O)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P22 compound treatment -0.0255 -0.0255 -0.99 -0.0144 -0.0144 -0.59 -1.1196 -0.9691 3093753 BCB01_000320 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P23 mock treatment -0.0335 -0.0335 -1.3 -0.0114 -0.0114 -0.47 -1.253 -0.904 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2000 P24 mock treatment 0.0135 0.0135 0.53 -0.0184 -0.0184 -0.75 -0.1613 -0.1755 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A01 compound treatment -0.0364 -0.036 -1.4 -0.0509 -0.0505 -2.07 -2.4568 -0.9821 3000745 BCB02_000001 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A02 compound treatment -0.0093 -0.00899 -0.35 -0.0119 -0.0115 -0.47 -0.5815 -0.9893 3000746 BCB02_000002 CC(C)OC(=O)C1=CCC(O1)c2cccc(Cl)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A03 compound treatment 7.0E-4 0.00101 0.04 -0.0019 -0.00151 -0.06 -0.016 -0.2187 3000747 BCB02_000003 OC(C1CCCCC1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A04 compound treatment -0.0164 -0.016 -0.63 -0.0149 -0.0145 -0.59 -0.8626 -0.9997 3000748 BCB02_000004 CCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A05 compound treatment -0.0073 -0.007 -0.27 -0.0039 -0.00352 -0.14 -0.2947 -0.9556 3000749 BCB02_000005 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A06 compound treatment -0.0174 -0.017 -0.66 -0.0139 -0.0135 -0.55 -0.8613 -0.9959 3000750 BCB02_000006 COC(=O)C1=CCC(O1)c2cccc(Cl)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A07 compound treatment 0.0017 0.00201 0.08 0.0151 0.0155 0.63 0.5039 0.7882 3093754 BCB02_000007 CCCCC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A08 compound treatment -0.0133 -0.013 -0.51 -0.0079 -0.00752 -0.31 -0.5758 -0.9716 2065163 BCB02_000008 CCOC(=O)/C=C/c1ccccc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A09 compound treatment -0.0214 -0.021 -0.82 -0.0219 -0.0215 -0.88 -1.2032 -0.9993 3093755 BCB02_000009 CCCCCCCCCCC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A10 compound treatment -0.0204 -0.02 -0.78 -0.0189 -0.0185 -0.76 -1.0888 -0.9999 3000752 BCB02_000010 CCOC(=O)/C=C/c1cc(F)ccc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A11 compound treatment -3.0E-4 5.31E-6 0.0 -0.0069 -0.00651 -0.27 -0.1884 -0.7066 3093756 BCB02_000011 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A12 compound treatment -0.0814 -0.081 -3.16 -0.0869 -0.0865 -3.55 -4.7395 -0.9983 3000753 BCB02_000012 CCOC(=O)/C=C/c1cc(ccc1O)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A13 compound treatment -0.0114 -0.011 -0.43 -0.0109 -0.0105 -0.43 -0.609 -1.0 3093757 BCB02_000013 COc1ccc(C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A14 compound treatment -0.0214 -0.021 -0.82 -0.0199 -0.0195 -0.8 -1.1453 -0.9999 3000754 BCB02_000014 CCOC(=O)/C=C/c1cccc(OC)c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A15 compound treatment -0.0093 -0.00899 -0.35 -0.0109 -0.0105 -0.43 -0.5522 -0.9948 3093824 BCB02_000015 COc1cc(OC)c(cc1Br)C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A16 compound treatment -0.0164 -0.016 -0.63 -0.0159 -0.0155 -0.64 -0.8917 -1.0 3000755 BCB02_000016 CCOC(=O)/C=C/c1cccc(C)c1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A17 mock treatment -0.0053 -0.00499 -0.19 -0.0069 -0.00652 -0.27 -0.3264 -0.9879 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A18 mock treatment -0.0124 -0.012 -0.47 -0.0089 -0.00852 -0.35 -0.5787 -0.9893 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A19 mock treatment -0.0073 -0.00699 -0.27 -0.0109 -0.0105 -0.43 -0.4974 -0.9756 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A20 mock treatment -0.0033 -0.00299 -0.12 -0.0049 -0.00452 -0.19 -0.2134 -0.9753 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A21 mock treatment -0.0214 -0.021 -0.82 -0.0329 -0.0325 -1.33 -1.522 -0.9728 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A22 mock treatment -0.0134 -0.013 -0.51 -0.0209 -0.0205 -0.84 -0.9539 -0.9709 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A23 mock treatment -3.0E-4 5.31E-6 0.0 -0.0069 -0.00652 -0.27 -0.1887 -0.7066 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 A24 mock treatment -0.0284 -0.028 -1.09 -0.0319 -0.0315 -1.29 -1.6859 -0.9965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B01 compound treatment -0.0073 -0.00699 -0.27 -0.0029 -0.00251 -0.1 -0.2653 -0.911 3093825 BCB02_000017 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B02 compound treatment 0.0047 0.00501 0.2 0.0041 0.00449 0.18 0.2681 0.9996 3000756 BCB02_000018 CCOC(=O)C1=CCC(N(CCN2CC(=CCC2c3cc4ccccc4[nH]3)C(=O)OCC)C1)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B03 compound treatment 0.0147 0.015 0.58 0.0151 0.0155 0.63 0.8607 0.9991 3093826 BCB02_000019 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B04 compound treatment 0.0137 0.014 0.54 0.0121 0.0125 0.51 0.7462 0.9995 3000757 BCB02_000020 CC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B05 compound treatment 0.0036 0.00391 0.15 0.0051 0.00548 0.22 0.2665 0.9819 3093827 BCB02_000021 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(s5)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B06 compound treatment -0.0083 -0.00799 -0.31 -0.0049 -0.00451 -0.18 -0.3508 -0.9688 3093828 BCB02_000022 Cc1ccc(cc1)[C@@H]2C[C@@H](Sc3ccccc3)[C@@H](CN2S(=O)(=O)c4ccc(C)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B07 compound treatment 0.0056 0.00596 0.23 0.0071 0.00749 0.31 0.3812 0.9905 3000758 BCB02_000023 CC(C(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B08 compound treatment 0.0207 0.021 0.82 0.0221 0.0225 0.92 1.2288 0.9982 3093829 BCB02_000024 Cc1ccc(cc1)C2CC=C(CN2S(=O)(=O)c3ccc(C)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B09 compound treatment -0.0014 -0.00104 -0.04 -0.0029 -0.00251 -0.1 -0.1014 -0.9179 3000759 BCB02_000025 CC(CC(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(C)o5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B10 compound treatment 0.0027 0.00296 0.12 0.0021 0.00249 0.1 0.1537 0.9982 3093830 BCB02_000026 Cc1ccc(cc1)S(=O)(=O)N2CC(=CCC2c3ccccc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B11 compound treatment 0.0077 0.00801 0.31 0.0021 0.00249 0.1 0.2928 0.8921 3093831 BCB02_000027 OC(Cc1ccccc1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B12 compound treatment -0.0073 -0.00704 -0.27 -0.0119 -0.0115 -0.47 -0.5275 -0.9668 3000760 BCB02_000028 Cc1ccc(cc1)[C@@H]2CC=C([C@@H](N2S(=O)(=O)c3ccc(C)cc3)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B13 compound treatment 0.0207 0.021 0.82 0.0191 0.0195 0.8 1.1419 0.9999 3093832 BCB02_000029 OC(C1CCCCC1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B14 compound treatment 0.0187 0.019 0.74 0.0171 0.0175 0.72 1.0288 0.9999 3093833 BCB02_000030 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B15 compound treatment 0.0167 0.017 0.66 0.0181 0.0185 0.76 1.0027 0.9977 3000761 BCB02_000031 CC(=C)[C@H]1CCC(=CC1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B16 compound treatment -4.0E-4 -9.47E-5 0.0 1.0E-4 4.84E-4 0.02 0.0114 0.566 3093834 BCB02_000032 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(C#N)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B17 mock treatment 0.0197 0.02 0.78 0.0201 0.0205 0.84 1.1433 0.9993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B18 mock treatment 0.0167 0.017 0.66 0.0171 0.0175 0.72 0.9737 0.9992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B19 mock treatment 0.0157 0.016 0.62 0.0111 0.0115 0.47 0.7726 0.9906 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B20 mock treatment 0.0157 0.016 0.62 0.0141 0.0145 0.59 0.8596 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B21 mock treatment 0.0117 0.012 0.47 0.0141 0.0145 0.59 0.7491 0.9928 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B22 mock treatment 7.0E-4 0.00101 0.04 -0.0019 -0.00151 -0.06 -0.0159 -0.218 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B23 mock treatment 0.0197 0.02 0.78 0.0171 0.0175 0.72 1.0564 0.9992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 B24 mock treatment 0.0187 0.019 0.74 0.0121 0.0125 0.51 0.8843 0.984 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C01 compound treatment -0.0093 -0.00899 -0.35 -0.0039 -0.00351 -0.14 -0.3494 -0.9225 3093835 BCB02_000033 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C02 compound treatment -0.0033 -0.00299 -0.12 -0.0029 -0.00251 -0.1 -0.1551 -0.998 3000762 BCB02_000034 CCOC(=O)/C=C/c1ccccc1OC(=O)C#CC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C03 compound treatment -0.0093 -0.00899 -0.35 -0.0059 -0.00551 -0.23 -0.4073 -0.9773 3000763 BCB02_000035 Cc1ccccc1C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C04 compound treatment -3.0E-4 5.31E-6 0.0 0.0061 0.00649 0.27 0.1883 0.7077 3093836 BCB02_000036 CCOC(=O)[C@H]1CC=C2[C@@H]1c3ccccc3OC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C05 compound treatment 0.0097 0.00996 0.39 0.0111 0.0115 0.47 0.607 0.9954 3093837 BCB02_000037 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C06 compound treatment -0.0174 -0.017 -0.66 -0.0149 -0.0145 -0.59 -0.8902 -0.9985 3000764 BCB02_000038 CCOC(=O)[C@H]1CC=C2[C@@H]1c3cc(Br)ccc3OC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C07 compound treatment -0.0093 -0.00899 -0.35 -0.0069 -0.00651 -0.27 -0.4363 -0.9909 3093838 BCB02_000039 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C08 compound treatment -0.0154 -0.015 -0.59 -0.0079 -0.00751 -0.31 -0.632 -0.9547 3000765 BCB02_000040 CCOC(=O)/C=C/c1cc(Br)ccc1OC(=O)C#CC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C09 compound treatment -0.0394 -0.039 -1.52 -0.0349 -0.0345 -1.41 -2.0756 -0.9993 3093839 BCB02_000041 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5cccc6ccccc56 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C10 compound treatment -0.0154 -0.015 -0.59 -0.0119 -0.0115 -0.47 -0.7483 -0.9942 3000766 BCB02_000042 O=c1oc2ccccc2cc1C#C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C11 compound treatment -0.0013 -9.95E-4 -0.04 -0.0019 -0.00151 -0.06 -0.071 -0.9749 3093840 BCB02_000043 OC(C1CCC=CC1)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C12 compound treatment -0.0073 -0.00704 -0.27 -0.0039 -0.00351 -0.14 -0.2957 -0.9544 3000767 BCB02_000044 Cn1c2C3NC(C(=O)c2c4ccccc14)C(C)(C=C3)C(=O)OCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C13 compound treatment -0.0083 -0.00799 -0.31 -0.0049 -0.00451 -0.18 -0.3508 -0.9688 3093841 BCB02_000045 CC(=O)n1cc(C(O)C2C=CC3C(N2n4cnnc4)C(=O)N(Cc5ccccc5)C3=O)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C14 compound treatment -0.0053 -0.00504 -0.2 -0.0089 -0.00851 -0.35 -0.3855 -0.9632 3000768 BCB02_000046 [O-][N+](=O)c1ccccc1S(=O)(=O)N2C3CC=C(C2C(=O)c4c3[nH]c5ccccc45)C(=O)OCc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C15 compound treatment -0.0093 -0.00899 -0.35 -0.0089 -0.00852 -0.35 -0.4946 -1.0 3093842 BCB02_000047 CCCCC(CC)C(O)C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C16 compound treatment 0.0087 0.009 0.35 0.0081 0.00849 0.35 0.4941 1.0 3093843 BCB02_000048 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C17 mock treatment 0.0086 0.00896 0.35 0.0061 0.00649 0.27 0.4348 0.991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C18 mock treatment 0.0047 0.005 0.19 1.0E-4 4.94E-4 0.02 0.1521 0.7764 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C19 mock treatment -0.0013 -9.95E-4 -0.04 -0.0039 -0.00351 -0.14 -0.129 -0.8669 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C20 mock treatment -0.0023 -0.00199 -0.08 -0.0049 -0.00452 -0.19 -0.1858 -0.9257 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C21 mock treatment -0.0033 -0.00299 -0.12 -0.0059 -0.00552 -0.23 -0.2423 -0.9527 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C22 mock treatment -0.0053 -0.00499 -0.19 -0.0069 -0.00652 -0.27 -0.3264 -0.9879 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C23 mock treatment -0.0033 -0.00299 -0.12 -0.0089 -0.00852 -0.35 -0.3293 -0.8948 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 C24 mock treatment 7.0E-4 0.00101 0.04 -0.0039 -0.00351 -0.14 -0.0739 -0.4962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D01 compound treatment -0.0033 -0.00299 -0.12 0.0031 0.00349 0.14 0.0188 0.1016 3000769 BCB02_000049 CCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D02 compound treatment -0.0103 -0.00999 -0.39 -0.0139 -0.0135 -0.55 -0.667 -0.9851 3093844 BCB02_000050 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D03 compound treatment 0.0086 0.00896 0.35 0.0051 0.00548 0.22 0.4056 0.9774 3093845 BCB02_000051 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5c(F)cccc5Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D04 compound treatment -0.0244 -0.024 -0.94 -0.0269 -0.0265 -1.09 -1.4309 -0.9973 3000770 BCB02_000052 Cc1ccc(cc1)S(=O)(=O)N2C[C@H]([C@@H](C[C@H]2c3ccccc3)Sc4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D05 compound treatment -0.0043 -0.00399 -0.16 -0.0039 -0.00352 -0.14 -0.2119 -0.9993 3093846 BCB02_000053 Cc1cc(C)c(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c(C)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D06 compound treatment -0.0163 -0.016 -0.62 -0.0069 -0.00651 -0.27 -0.6292 -0.9282 3000771 BCB02_000054 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D07 compound treatment 0.0147 0.015 0.58 0.0101 0.0105 0.43 0.7175 0.9886 3092586 BCB02_000055 Cc1ccccc1C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D08 compound treatment -3.0E-4 5.31E-6 0.0 -0.0039 -0.00351 -0.14 -0.1015 -0.7061 3092495 BCB02_000056 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D09 compound treatment 0.0057 0.00601 0.23 0.0061 0.00649 0.27 0.3536 0.9979 3000772 BCB02_000057 OC(C1CCC=CC1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D10 compound treatment -0.0104 -0.01 -0.39 -0.0139 -0.0135 -0.55 -0.6684 -0.9855 3092496 BCB02_000058 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D11 compound treatment 0.0137 0.014 0.55 0.0151 0.0155 0.63 0.8348 0.9972 3092497 BCB02_000059 CC(=O)n1cc(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D12 compound treatment -0.0033 -0.003 -0.12 -0.0039 -0.00351 -0.14 -0.1841 -0.9947 3000773 BCB02_000060 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D13 compound treatment 0.0067 0.00701 0.27 0.0071 0.00749 0.31 0.4101 0.9983 3092498 BCB02_000061 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D14 compound treatment 0.0047 0.00501 0.2 0.0041 0.00449 0.18 0.2681 0.9996 3000774 BCB02_000062 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D15 compound treatment -0.0104 -0.01 -0.39 -0.0149 -0.0145 -0.59 -0.6974 -0.9794 3092499 BCB02_000063 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)/C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D16 compound treatment -0.0023 -0.002 -0.08 -0.0049 -0.00451 -0.18 -0.1856 -0.9261 3000775 BCB02_000064 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D17 mock treatment -0.0073 -0.007 -0.27 -0.0059 -0.00551 -0.23 -0.3523 -0.9956 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D18 mock treatment 0.0017 0.00201 0.08 -0.0029 -0.00251 -0.1 -0.0174 -0.1346 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D19 mock treatment -0.0073 -0.00704 -0.27 -0.0059 -0.00552 -0.23 -0.3539 -0.9954 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D20 mock treatment 0.0067 0.007 0.27 0.0041 0.00449 0.18 0.3231 0.9817 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D21 mock treatment -0.0134 -0.013 -0.51 -0.0139 -0.0135 -0.55 -0.751 -0.9991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D22 mock treatment 0.0107 0.011 0.43 0.0031 0.00349 0.14 0.4044 0.8947 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D23 mock treatment -0.0033 -0.00299 -0.12 -0.0029 -0.00252 -0.1 -0.1554 -0.9981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 D24 mock treatment 0.0017 0.002 0.08 0.0031 0.00349 0.14 0.1564 0.9591 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E01 compound treatment 0.0017 0.00201 0.08 0.0081 0.00849 0.35 0.3014 0.8448 3092500 BCB02_000065 CCCCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E02 compound treatment 0.0066 0.00696 0.27 0.0091 0.00949 0.39 0.4667 0.9844 3000776 BCB02_000066 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(CC)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E03 compound treatment 0.0077 0.008 0.31 0.0101 0.0105 0.43 0.5246 0.9875 3000847 BCB02_000067 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3n5cnnc5)C(=O)N(Cc6ccccc6)C4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E04 compound treatment 0.0157 0.016 0.62 0.0161 0.0165 0.68 0.9175 0.9991 3000848 BCB02_000068 CCOC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(CC)C2=O)Sc3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E05 compound treatment -0.0254 -0.0251 -0.98 -0.0239 -0.0235 -0.96 -1.3728 -1.0 3000849 BCB02_000069 OC(C1C=CC2C(N1n3cnnc3)C(=O)N(Cc4ccccc4)C2=O)c5ccc(Br)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E06 compound treatment 0.0086 0.00896 0.35 0.0121 0.0125 0.51 0.6085 0.9826 3000850 BCB02_000070 OC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E07 compound treatment 0.0186 0.0189 0.74 0.0181 0.0185 0.76 1.0565 0.9999 3000851 BCB02_000071 OC(/C=C/c1ccc(cc1)[N+](=O)[O-])C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E08 compound treatment 0.0226 0.0229 0.89 0.0191 0.0195 0.8 1.1956 0.9985 3092501 BCB02_000072 OC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3)Sc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E09 compound treatment 0.0216 0.022 0.86 0.0201 0.0205 0.84 1.1984 1.0 3000852 BCB02_000073 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E10 compound treatment 0.0187 0.019 0.74 0.0171 0.0175 0.72 1.0289 0.9999 3092502 BCB02_000074 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E11 compound treatment -3.0E-4 5.31E-6 0.0 -0.0029 -0.00252 -0.1 -0.0727 -0.7057 3092503 BCB02_000075 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E12 compound treatment 0.0127 0.013 0.5 0.0151 0.0155 0.63 0.8056 0.9936 3000853 BCB02_000076 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E13 compound treatment 0.0127 0.013 0.5 0.0161 0.0165 0.68 0.8346 0.9897 3092504 BCB02_000077 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E14 compound treatment -0.0023 -0.00199 -0.08 0.0031 0.00349 0.14 0.0463 0.2842 3000854 BCB02_000078 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E15 compound treatment 0.0286 0.0289 1.13 0.0301 0.0305 1.25 1.6797 0.9987 3092505 BCB02_000079 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E16 compound treatment 0.0086 0.00896 0.35 0.0051 0.00548 0.22 0.4056 0.9774 3000855 BCB02_000080 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E17 mock treatment 0.0067 0.00701 0.27 -9.0E-4 -5.06E-4 -0.02 0.1783 0.6516 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E18 mock treatment 0.0187 0.019 0.74 0.0131 0.0135 0.55 0.913 0.9898 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E19 mock treatment 0.0057 0.006 0.23 0.0011 0.00149 0.06 0.2086 0.863 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E20 mock treatment 0.0176 0.018 0.7 0.0131 0.0135 0.55 0.8853 0.9932 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E21 mock treatment 0.0216 0.022 0.86 0.0171 0.0175 0.72 1.1115 0.9961 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E22 mock treatment 0.0176 0.018 0.7 0.0151 0.0155 0.63 0.9433 0.9988 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E23 mock treatment 0.0126 0.013 0.5 0.0051 0.00549 0.23 0.516 0.9339 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 E24 mock treatment 0.0057 0.00601 0.23 0.0071 0.00749 0.31 0.3826 0.991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F01 compound treatment -0.0093 -0.00899 -0.35 -9.0E-4 -5.06E-4 -0.02 -0.2624 -0.7476 3092506 BCB02_000081 OC(COCc1ccccc1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F02 compound treatment -0.0033 -0.00299 -0.12 -9.0E-4 -5.06E-4 -0.02 -0.0972 -0.8198 3092507 BCB02_000082 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F03 compound treatment -0.0124 -0.0121 -0.47 -0.0109 -0.0105 -0.43 -0.6379 -0.999 3000856 BCB02_000083 COc1ccc(NN2C3C(C=CC2C(O)c4ccccc4)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F04 compound treatment -0.0013 -9.95E-4 -0.04 -0.0049 -0.00452 -0.19 -0.1583 -0.837 3092508 BCB02_000084 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F05 compound treatment 0.0157 0.016 0.62 0.0231 0.0235 0.96 1.1201 0.9776 3092509 BCB02_000085 CCCCC(O)C1C=CC2C(N1Nc3ccc(OC)cc3)C(=O)N(C4CCCCC4)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F06 compound treatment 0.0057 0.00601 0.23 0.0081 0.00849 0.35 0.4116 0.9813 3000857 BCB02_000086 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F07 compound treatment -0.0064 -0.00609 -0.24 -0.0059 -0.00552 -0.23 -0.3277 -0.9997 3092510 BCB02_000087 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(F)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F08 compound treatment 0.0147 0.015 0.58 0.0161 0.0165 0.68 0.8896 0.9973 3000858 BCB02_000088 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(Cl)c(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F09 compound treatment -0.0104 -0.01 -0.39 -0.0189 -0.0185 -0.76 -0.8133 -0.9526 3092511 BCB02_000089 C/C=C/C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F10 compound treatment 0.0207 0.021 0.82 0.0171 0.0175 0.72 1.084 0.9979 3000859 BCB02_000090 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F11 compound treatment 0.0057 0.00601 0.23 -9.0E-4 -5.16E-4 -0.02 0.1505 0.6406 3092512 BCB02_000091 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F12 compound treatment -0.0033 -0.00299 -0.12 0.0041 0.00449 0.18 0.0477 0.2187 3092513 BCB02_000092 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F13 compound treatment 0.0167 0.017 0.66 0.0191 0.0195 0.8 1.0317 0.9956 3000860 BCB02_000093 CN(C)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F14 compound treatment 0.0147 0.015 0.58 0.0101 0.0105 0.43 0.7158 0.9888 3092514 BCB02_000094 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F15 compound treatment 7.0E-4 0.001 0.04 0.0021 0.00249 0.1 0.0998 0.9126 3092515 BCB02_000095 COc1cc(cc(OC)c1OC)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F16 compound treatment 0.0147 0.015 0.58 0.0171 0.0175 0.72 0.9187 0.9947 3000861 BCB02_000096 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(F)(F)F)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F17 mock treatment 0.0117 0.012 0.47 0.0051 0.00548 0.22 0.4897 0.9436 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F18 mock treatment 0.0057 0.00601 0.23 0.0041 0.00449 0.18 0.2956 0.993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F19 mock treatment 0.0147 0.015 0.58 0.0131 0.0135 0.55 0.8028 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F20 mock treatment 0.0176 0.018 0.7 0.0121 0.0125 0.51 0.8564 0.9882 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F21 mock treatment 0.0067 0.00701 0.27 0.0041 0.00449 0.18 0.3232 0.9817 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F22 mock treatment 0.0057 0.006 0.23 -0.0019 -0.00151 -0.06 0.1218 0.5034 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F23 mock treatment 0.0167 0.017 0.66 0.0081 0.00849 0.35 0.7132 0.9552 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 F24 mock treatment -0.0033 -0.003 -0.12 -0.0059 -0.00551 -0.23 -0.2421 -0.953 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G01 compound treatment 0.0097 0.00996 0.39 0.0091 0.00949 0.39 0.5494 1.0 3092516 BCB02_000097 CC(C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G02 compound treatment -0.0093 -0.00899 -0.35 -0.0089 -0.00851 -0.35 -0.4943 -1.0 3000862 BCB02_000098 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2C)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G03 compound treatment -0.0134 -0.013 -0.51 -0.0169 -0.0165 -0.68 -0.8381 -0.99 3092587 BCB02_000099 CCCCCCCCCCC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G04 compound treatment 0.0076 0.00796 0.31 0.0061 0.00649 0.27 0.4074 0.9971 3000863 BCB02_000100 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)C[Si](C)(C)C)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G05 compound treatment -0.0013 -9.95E-4 -0.04 -9.0E-4 -5.06E-4 -0.02 -0.0421 -0.957 3092588 BCB02_000101 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G06 compound treatment -0.0073 -0.007 -0.27 -0.0069 -0.00652 -0.27 -0.3816 -0.9999 3092589 BCB02_000102 CCOC(=O)C1=CC[C@H](N([C@H]1/C=C/c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G07 compound treatment 0.0197 0.02 0.78 0.0071 0.00748 0.31 0.7666 0.9173 3000864 BCB02_000103 COc1ccc(C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5)c6ccccc16 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G08 compound treatment 0.0047 0.00501 0.2 0.0021 0.00249 0.1 0.2101 0.9545 3092590 BCB02_000104 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4cccc(Cl)c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G09 compound treatment 0.0067 0.007 0.27 0.0041 0.00449 0.18 0.3231 0.9817 3092591 BCB02_000105 COc1ccc(cc1OCc2ccccc2)C(O)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G10 compound treatment -0.0013 -9.98E-4 -0.04 -0.0049 -0.00451 -0.18 -0.1581 -0.8376 3000865 BCB02_000106 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2I)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G11 compound treatment -4.0E-4 -9.47E-5 0.0 0.0041 0.00449 0.18 0.1276 0.6928 3092592 BCB02_000107 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccccn5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G12 compound treatment 0.0017 0.00201 0.08 -0.0049 -0.00451 -0.18 -0.0753 -0.3757 3000866 BCB02_000108 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G13 compound treatment 0.0097 0.01 0.39 0.0031 0.00349 0.14 0.3769 0.9076 3092593 BCB02_000109 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G14 compound treatment -0.0094 -0.00904 -0.35 -0.0089 -0.00851 -0.35 -0.4956 -1.0 3000867 BCB02_000110 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G15 compound treatment 0.0097 0.00996 0.39 0.0131 0.0135 0.55 0.6653 0.9849 3092594 BCB02_000111 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G16 compound treatment -0.0083 -0.00799 -0.31 -0.0039 -0.00351 -0.14 -0.3219 -0.9383 3092595 BCB02_000112 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(SC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCc5ccccc5)c(OC)c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G17 mock treatment 0.0097 0.00996 0.39 0.0071 0.00749 0.31 0.4914 0.9933 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G18 mock treatment 0.0057 0.006 0.23 -9.0E-4 -5.06E-4 -0.02 0.1507 0.6419 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G19 mock treatment -3.0E-4 5.31E-6 0.0 1.0E-4 4.94E-4 0.02 0.0145 0.7143 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G20 mock treatment -0.0233 -0.023 -0.9 -0.0249 -0.0245 -1.0 -1.3453 -0.9984 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G21 mock treatment -3.0E-4 5.31E-6 0.0 -0.0049 -0.00451 -0.18 -0.1304 -0.7063 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G22 mock treatment -0.0073 -0.00704 -0.27 -0.0119 -0.0115 -0.47 -0.5278 -0.9667 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G23 mock treatment -0.0053 -0.00504 -0.2 -0.0109 -0.0105 -0.43 -0.4437 -0.9368 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 G24 mock treatment -0.0244 -0.024 -0.94 -0.0279 -0.0275 -1.13 -1.4598 -0.9958 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H01 compound treatment -0.0073 -0.007 -0.27 -0.0049 -0.00451 -0.18 -0.3233 -0.982 3000868 BCB02_000113 CC(=CCC/C(=C/C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)/C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H02 compound treatment -0.0223 -0.022 -0.86 -0.0179 -0.0175 -0.72 -1.1149 -0.996 3092596 BCB02_000114 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(C)C)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H03 compound treatment -0.0063 -0.00604 -0.24 -0.0099 -0.00952 -0.39 -0.4423 -0.9708 3092597 BCB02_000115 OC(CCc1ccccc1)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H04 compound treatment -0.0053 -0.00499 -0.19 -0.0119 -0.0115 -0.47 -0.4713 -0.9233 3000869 BCB02_000116 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccccc2F)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H05 compound treatment -0.0053 -0.00504 -0.2 0.0031 0.00349 0.14 -0.0377 -0.1551 3092598 BCB02_000117 COc1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccccc4F)C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H06 compound treatment -0.0023 -0.00199 -0.08 -0.0039 -0.00351 -0.14 -0.1565 -0.9584 3000870 BCB02_000118 CCOC(=O)C1=C[C@@H](CC)N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H07 compound treatment -0.0123 -0.012 -0.47 -0.0029 -0.00252 -0.1 -0.4033 -0.8428 3000871 BCB02_000119 O=c1cccc(o1)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H08 compound treatment -0.0103 -0.00999 -0.39 -0.0099 -0.00951 -0.39 -0.5508 -1.0 3092599 BCB02_000120 CCOC(=O)C1=CCN(C1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H09 compound treatment -0.0284 -0.0281 -1.09 -0.0089 -0.00852 -0.35 -1.0208 -0.8885 3000872 BCB02_000121 COc1cccc(c1)c2cccc(=O)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H10 compound treatment -0.0033 -0.00299 -0.12 -9.0E-4 -5.1E-4 -0.02 -0.0973 -0.8207 3092600 BCB02_000122 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)OCC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H11 compound treatment -0.0174 -0.017 -0.66 -0.0159 -0.0155 -0.64 -0.9193 -0.9998 1984103 BCB02_000123 Cc1ccc(cc1)c2cccc(=O)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H12 compound treatment -0.0073 -0.00699 -0.27 -0.0039 -0.00351 -0.14 -0.2943 -0.9553 3092601 BCB02_000124 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H13 compound treatment -0.0013 -9.95E-4 -0.04 -9.0E-4 -5.1E-4 -0.02 -0.0422 -0.958 3000873 BCB02_000125 Clc1cccc(c1)c2cccc(=O)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H14 compound treatment -0.0073 -0.00699 -0.27 -0.0069 -0.00651 -0.27 -0.3812 -0.9999 3000874 BCB02_000126 Cc1ccc(cc1)[C@@H]2N(CC=C2C(=O)O)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H15 compound treatment -0.0134 -0.013 -0.51 0.0011 0.00149 0.06 -0.3161 -0.6174 3000875 BCB02_000127 Clc1ccccc1c2cccc(=O)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H16 compound treatment -0.0114 -0.011 -0.43 -0.0029 -0.00252 -0.1 -0.3772 -0.8524 3092602 BCB02_000128 C[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H17 mock treatment 0.0087 0.009 0.35 0.0101 0.0105 0.43 0.5518 0.9949 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H18 mock treatment -0.0134 -0.013 -0.51 -0.0099 -0.00951 -0.39 -0.6349 -0.9914 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H19 mock treatment -0.0104 -0.01 -0.39 0.0071 0.00749 0.31 -0.0596 -0.1199 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H20 mock treatment -0.0063 -0.00599 -0.23 -0.0089 -0.00851 -0.35 -0.4116 -0.981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H21 mock treatment -0.0073 -0.00704 -0.27 -0.0039 -0.00351 -0.14 -0.2957 -0.9544 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H22 mock treatment -0.0013 -9.95E-4 -0.04 -0.0049 -0.00451 -0.18 -0.158 -0.8373 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H23 mock treatment -0.0104 -0.01 -0.39 -0.0119 -0.0115 -0.47 -0.6104 -0.9957 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 H24 mock treatment -0.0013 -9.98E-4 -0.04 1.0E-4 4.94E-4 0.02 -0.0132 -0.3002 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I01 compound treatment 0.0086 0.00896 0.35 0.0121 0.0125 0.51 0.6088 0.9825 3092603 BCB02_000129 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccs5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I02 compound treatment -0.0083 -0.00799 -0.31 -0.0119 -0.0115 -0.47 -0.5539 -0.9797 3000947 BCB02_000130 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I03 compound treatment 0.0107 0.011 0.43 0.0121 0.0125 0.51 0.6648 0.9961 3000948 BCB02_000131 OC(C(c1ccccc1)c2ccccc2)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I04 compound treatment -0.0254 -0.025 -0.98 -0.0199 -0.0195 -0.8 -1.2555 -0.9951 3000949 BCB02_000132 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4cccc(Br)c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I05 compound treatment -0.0174 -0.017 -0.66 -0.0059 -0.00551 -0.23 -0.6292 -0.897 3000950 BCB02_000133 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5cccc6ccccc56 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I06 compound treatment -0.0073 -0.00699 -0.27 -0.0119 -0.0115 -0.47 -0.5264 -0.9659 3000951 BCB02_000134 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I07 compound treatment -0.0033 -0.00299 -0.12 -0.0049 -0.00451 -0.18 -0.2131 -0.9755 3092604 BCB02_000135 C/C=C/C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I08 compound treatment -0.0053 -0.005 -0.19 -0.0089 -0.00851 -0.35 -0.3842 -0.9622 3000952 BCB02_000136 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I09 compound treatment 0.0117 0.012 0.47 0.0171 0.0175 0.72 0.8374 0.9786 3092605 BCB02_000137 CCC(CC)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I10 compound treatment -3.0E-4 5.31E-6 0.0 -0.0079 -0.00751 -0.31 -0.2174 -0.7066 3092606 BCB02_000138 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(F)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I11 compound treatment -4.0E-4 -9.47E-5 0.0 -0.0029 -0.00252 -0.1 -0.0755 -0.7319 3000953 BCB02_000139 CC(C)C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I12 compound treatment 7.0E-4 0.00101 0.04 -0.0049 -0.00451 -0.18 -0.1029 -0.545 3092607 BCB02_000140 CCOC(=O)[C@@H]1N([C@@H](CC=C1C(=O)OCC)c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I13 compound treatment 0.0147 0.015 0.58 0.0151 0.0155 0.63 0.861 0.9991 3092678 BCB02_000141 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cccc(O)c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I14 compound treatment -0.0033 -0.00299 -0.12 -0.0089 -0.00852 -0.35 -0.3293 -0.8948 3000954 BCB02_000142 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OC)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I15 compound treatment -0.0504 -0.0501 -1.95 -0.0579 -0.0575 -2.36 -3.0467 -0.9956 3092679 BCB02_000143 OB(O)c1ccc(cc1)C(O)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I16 compound treatment -0.0193 -0.019 -0.74 -0.0229 -0.0225 -0.92 -1.1771 -0.9942 3000955 BCB02_000144 CCOC(=O)C1=CC[C@H](N([C@H]1C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I17 mock treatment 0.0097 0.00996 0.39 0.0091 0.00948 0.39 0.5491 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I18 mock treatment 0.0157 0.016 0.62 0.0111 0.0115 0.47 0.7724 0.9906 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I19 mock treatment -0.0164 -0.016 -0.63 -0.0139 -0.0135 -0.55 -0.8337 -0.9982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I20 mock treatment 0.0017 0.002 0.08 0.0041 0.00449 0.18 0.1854 0.927 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I21 mock treatment 0.0126 0.013 0.5 0.0071 0.00749 0.31 0.574 0.9717 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I22 mock treatment -0.0083 -0.00804 -0.31 -0.0059 -0.00552 -0.23 -0.3815 -0.9871 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I23 mock treatment 0.0067 0.007 0.27 0.0031 0.00349 0.14 0.2942 0.9547 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 I24 mock treatment -0.0093 -0.009 -0.35 -0.0079 -0.00751 -0.31 -0.4654 -0.9979 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J01 compound treatment -0.0143 -0.014 -0.55 -0.0099 -0.00951 -0.39 -0.661 -0.9864 3000956 BCB02_000145 CCCc1cccc(=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J02 compound treatment -0.0323 -0.032 -1.25 -0.0339 -0.0335 -1.37 -1.854 -0.9989 3092680 BCB02_000146 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J03 compound treatment -0.0083 -0.00804 -0.31 -0.0119 -0.0115 -0.47 -0.5553 -0.9802 3000957 BCB02_000147 Fc1ccc(cc1)c2cccc(=O)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J04 compound treatment 7.0E-4 0.001 0.04 -0.0029 -0.00251 -0.1 -0.0451 -0.4104 3092681 BCB02_000148 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J05 compound treatment -0.0124 -0.012 -0.47 -0.0089 -0.00851 -0.35 -0.5783 -0.9893 3000958 BCB02_000149 O=c1cccc(o1)c2ccc(C#N)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J06 compound treatment -0.0113 -0.011 -0.43 -0.0139 -0.0135 -0.55 -0.6945 -0.9919 3000959 BCB02_000150 CC(C)[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J07 compound treatment -0.0124 -0.012 -0.47 -0.0139 -0.0135 -0.55 -0.7232 -0.9966 3092682 BCB02_000151 FC(F)(F)c1ccc(cc1)c2cccc(=O)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J08 compound treatment -0.0043 -0.00399 -0.16 -0.0049 -0.00451 -0.18 -0.2406 -0.9964 3092683 BCB02_000152 Cc1ccc(cc1)[C@@H]2N([C@@H](C=C2C(=O)O)C(C)(C)C)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J09 compound treatment -0.0124 -0.012 -0.47 -0.0109 -0.0105 -0.43 -0.6363 -0.9991 3000960 BCB02_000153 FC(F)(F)c1ccccc1c2cccc(=O)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J10 compound treatment -0.0164 -0.016 -0.63 -0.0179 -0.0175 -0.72 -0.9496 -0.9976 3092684 BCB02_000154 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J11 compound treatment -0.0244 -0.0241 -0.94 -0.0169 -0.0165 -0.68 -1.1421 -0.9871 3000961 BCB02_000155 O=c1cccc(o1)c2ccc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J12 compound treatment -0.0374 -0.037 -1.44 -0.0319 -0.0315 -1.29 -1.9336 -0.9985 3000962 BCB02_000156 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J13 compound treatment -0.0354 -0.035 -1.37 -0.0309 -0.0305 -1.25 -1.8498 -0.999 3092685 BCB02_000157 O=c1cccc(o1)c2ccco2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J14 compound treatment -0.0204 -0.02 -0.78 -0.0189 -0.0185 -0.76 -1.0885 -0.9999 3092686 BCB02_000158 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J15 compound treatment -0.0303 -0.03 -1.17 -0.0129 -0.0125 -0.51 -1.1904 -0.9314 3000963 BCB02_000159 O=c1cccc(CCc2ccccc2)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J16 compound treatment -0.0184 -0.018 -0.7 -0.0119 -0.0115 -0.47 -0.8305 -0.9811 3092687 BCB02_000160 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J17 mock treatment -3.0E-4 5.31E-6 0.0 0.0121 0.0125 0.51 0.3619 0.7074 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J18 mock treatment -0.0103 -0.00999 -0.39 0.0071 0.00748 0.31 -0.0585 -0.1179 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J19 mock treatment -0.0043 -0.004 -0.16 0.0221 0.0225 0.92 0.5414 0.5793 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J20 mock treatment 0.0077 0.008 0.31 0.0151 0.0155 0.63 0.6692 0.9465 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J21 mock treatment 0.0047 0.00501 0.2 0.0091 0.00948 0.39 0.4127 0.9491 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J22 mock treatment 0.0027 0.00301 0.12 0.0101 0.0105 0.43 0.3866 0.8682 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J23 mock treatment -0.0134 -0.013 -0.51 -0.0059 -0.00551 -0.23 -0.5189 -0.9332 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 J24 mock treatment -0.0023 -0.002 -0.08 -0.0019 -0.00151 -0.06 -0.0986 -0.9934 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K01 compound treatment 0.0137 0.014 0.54 0.0131 0.0135 0.55 0.7752 1.0 3000964 BCB02_000161 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K02 compound treatment -0.0224 -0.0221 -0.86 -0.0209 -0.0205 -0.84 -1.2032 -0.9999 3092688 BCB02_000162 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccncc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K03 compound treatment -3.0E-4 5.31E-6 0.0 0.0031 0.00349 0.14 0.1014 0.7081 3092689 BCB02_000163 CC(C(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K04 compound treatment 7.0E-4 0.00101 0.04 0.0081 0.00849 0.35 0.2738 0.7817 3000965 BCB02_000164 CCOC(=O)C1=CC[C@H](N([C@H]1C=C(C)C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K05 compound treatment -0.0013 -9.95E-4 -0.04 -0.0019 -0.00151 -0.06 -0.071 -0.9749 3092690 BCB02_000165 CC(CC(O)C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(C)o5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K06 compound treatment -0.0573 -0.057 -2.22 -0.0549 -0.0545 -2.23 -3.151 -1.0 3000966 BCB02_000166 CCOC(=O)C1=CC[C@H](N([C@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K07 compound treatment -0.0284 -0.0281 -1.09 -0.0299 -0.0295 -1.21 -1.6293 -0.9988 3092691 BCB02_000167 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5cccs5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K08 compound treatment -0.0154 -0.015 -0.59 -0.0129 -0.0125 -0.51 -0.7771 -0.9978 3092692 BCB02_000168 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K09 compound treatment -0.0144 -0.014 -0.55 -0.0129 -0.0125 -0.51 -0.7497 -0.9995 3000967 BCB02_000169 OC(Cc1ccccc1)C2C=CC3C(N2Nc4ccc(cc4)[N+](=O)[O-])C(=O)N(C3=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K10 compound treatment -0.0023 -0.002 -0.08 1.0E-4 4.91E-4 0.02 -0.0408 -0.5078 3092693 BCB02_000170 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K11 compound treatment 0.0037 0.00401 0.16 0.0011 0.00149 0.06 0.1536 0.9166 3000968 BCB02_000171 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc(C#N)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K12 compound treatment -0.0063 -0.006 -0.23 -0.0049 -0.00451 -0.18 -0.2958 -0.9932 3092694 BCB02_000172 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K13 compound treatment -0.0244 -0.0241 -0.94 -0.0279 -0.0275 -1.13 -1.4611 -0.9958 3092695 BCB02_000173 OC(C1C=CC2C(N1Nc3ccc(cc3)[N+](=O)[O-])C(=O)N(C2=O)c4ccccc4)c5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K14 compound treatment 0.0086 0.00896 0.35 0.0021 0.00249 0.1 0.319 0.8774 3000969 BCB02_000174 CCOC(=O)C1=CC[C@H](N([C@H]1C=C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K15 compound treatment 0.0106 0.011 0.43 0.0111 0.0115 0.47 0.6345 0.9988 3092696 BCB02_000175 CC1(C)[C@H]2C[C@@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccc(cc5)[N+](=O)[O-])C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K16 compound treatment -0.0154 -0.015 -0.59 -0.0109 -0.0105 -0.43 -0.719 -0.9885 3000970 BCB02_000176 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)N(CC)CC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K17 mock treatment -0.0124 -0.012 -0.47 -0.0159 -0.0155 -0.64 -0.7816 -0.9888 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K18 mock treatment 0.0057 0.00601 0.23 0.0051 0.00549 0.23 0.3246 0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K19 mock treatment -0.0114 -0.011 -0.43 -0.0089 -0.00852 -0.35 -0.5511 -0.9946 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K20 mock treatment -0.0174 -0.017 -0.66 -0.0169 -0.0165 -0.68 -0.9482 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K21 mock treatment -0.0063 -0.00604 -0.24 -0.0069 -0.00651 -0.27 -0.355 -0.9981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K22 mock treatment 0.0027 0.003 0.12 -0.0019 -0.00151 -0.06 0.039 0.2946 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K23 mock treatment -0.0063 -0.00604 -0.24 -0.0089 -0.00852 -0.35 -0.4133 -0.9817 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 K24 mock treatment -0.0144 -0.014 -0.55 -0.0149 -0.0145 -0.59 -0.8077 -0.9991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L01 compound treatment -0.0143 -0.014 -0.55 1.0E-4 4.91E-4 0.02 -0.3713 -0.6806 3000971 BCB02_000177 [O-][N+](=O)c1ccc(cc1)c2cccc(=O)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L02 compound treatment 0.0077 0.00801 0.31 0.0011 0.00149 0.06 0.2638 0.8301 3092697 BCB02_000178 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L03 compound treatment 0.0027 0.00301 0.12 -9.0E-4 -5.06E-4 -0.02 0.0681 0.5731 3000972 BCB02_000179 O=c1cccc(/C=C/c2ccccc2)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L04 compound treatment 0.0057 0.00601 0.23 0.0031 0.00349 0.14 0.2667 0.9722 3092698 BCB02_000180 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccco3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L05 compound treatment -0.0444 -0.0441 -1.72 -0.0409 -0.0405 -1.66 -2.3885 -0.9999 3000973 BCB02_000181 O=c1cccc(o1)c2cccc3ccccc23 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L06 compound treatment 0.0146 0.0149 0.58 0.0151 0.0155 0.63 0.8593 0.999 3092699 BCB02_000182 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L07 compound treatment -0.0143 -0.014 -0.55 -0.0049 -0.00451 -0.18 -0.5161 -0.8966 3000974 BCB02_000183 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L08 compound treatment -0.0073 -0.00704 -0.27 -0.0079 -0.00751 -0.31 -0.4116 -0.9984 3092700 BCB02_000184 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(Br)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L09 compound treatment 0.0157 0.016 0.62 0.0161 0.0165 0.68 0.9172 0.9991 3092701 BCB02_000185 CCOC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L10 compound treatment -0.0184 -0.018 -0.7 -0.0169 -0.0165 -0.68 -0.9758 -0.9998 3000975 BCB02_000186 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)C(C)C)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L11 compound treatment 0.0077 0.00801 0.31 0.0061 0.00649 0.27 0.4087 0.9969 3092771 BCB02_000187 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccn2)c3ccccn3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L12 compound treatment 0.0027 0.00301 0.12 -0.0019 -0.00151 -0.06 0.0392 0.2959 3000976 BCB02_000188 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](C=C([C@@H]2c3ccccc3)C(=O)O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L13 compound treatment -0.0083 -0.008 -0.31 -0.0049 -0.00451 -0.18 -0.3509 -0.9689 3092772 BCB02_000189 COC(=O)c1cccc(c1)[C@@H]2C/C(=C\C(=O)OC(C)C)/O[C@@H](O2)c3cccc(c3)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L14 compound treatment 0.0027 0.003 0.12 0.0031 0.00349 0.14 0.184 0.995 3092773 BCB02_000190 CC(C)[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L15 compound treatment 0.0046 0.00496 0.19 0.0081 0.00848 0.35 0.3824 0.9615 3000977 BCB02_000191 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc(C#N)cc2)c3ccc(C#N)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L16 compound treatment 0.0027 0.00301 0.12 -0.0019 -0.00151 -0.06 0.0392 0.2959 3092774 BCB02_000192 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L17 mock treatment 0.0176 0.018 0.7 0.0151 0.0155 0.63 0.9433 0.9988 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L18 mock treatment 0.0187 0.019 0.74 0.0181 0.0185 0.76 1.0578 0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L19 mock treatment 0.0027 0.003 0.12 0.0051 0.00549 0.23 0.242 0.9535 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L20 mock treatment 0.0097 0.00996 0.39 0.0091 0.00948 0.39 0.5491 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L21 mock treatment -0.0164 -0.016 -0.63 -0.0059 -0.00551 -0.23 -0.6016 -0.9052 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L22 mock treatment 0.0087 0.009 0.35 0.0061 0.00649 0.27 0.4362 0.9907 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L23 mock treatment 0.0136 0.014 0.54 0.0141 0.0145 0.59 0.804 0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 L24 mock treatment 0.0187 0.019 0.74 0.0171 0.0175 0.72 1.0289 0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M01 compound treatment 0.0167 0.017 0.66 0.0211 0.0215 0.88 1.0897 0.99 3000978 BCB02_000193 CC1(C)[C@H]2C[C@H]1C=C(C2)C(O)C3C=CC4C(N3Nc5ccccc5F)C(=O)N(C4=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M02 compound treatment 0.0146 0.0149 0.58 0.0171 0.0175 0.72 0.9173 0.9946 3001047 BCB02_000194 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(c(OC)c4)c5ccc(OCc6ccccc6)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M03 compound treatment 0.0067 0.00701 0.27 0.0111 0.0115 0.47 0.5261 0.9663 3092775 BCB02_000195 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(I)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M04 compound treatment 0.0176 0.018 0.7 0.0141 0.0145 0.59 0.9144 0.9967 3001048 BCB02_000196 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M05 compound treatment -0.0063 -0.00599 -0.23 -0.0029 -0.00251 -0.1 -0.2378 -0.932 3092776 BCB02_000197 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)[N+](=O)[O-])C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M06 compound treatment 0.0147 0.015 0.58 0.0121 0.0125 0.51 0.7738 0.9979 3001049 BCB02_000198 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M07 compound treatment -0.0144 -0.0141 -0.55 -0.0149 -0.0145 -0.59 -0.8089 -0.9992 3092777 BCB02_000199 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(OC)cc4)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M08 compound treatment 0.0046 0.00491 0.19 0.0021 0.00248 0.1 0.2071 0.9565 3092778 BCB02_000200 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(CC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M09 compound treatment 0.0017 0.00201 0.08 0.0021 0.00249 0.1 0.1275 0.9912 3001050 BCB02_000201 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(cc4)N(C)C)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M10 compound treatment -0.0114 -0.011 -0.43 -0.0069 -0.00651 -0.27 -0.4928 -0.9735 3001168 BCB02_000202 CCOC(=O)C1=C(N([C@@H](CC1)c2ccccc2)S(=O)(=O)CC[Si](C)(C)C)C(=O)OCC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M11 compound treatment -0.0094 -0.00909 -0.35 -0.0059 -0.00552 -0.23 -0.4104 -0.9764 3092779 BCB02_000203 COc1ccc(NN2C3C(C=CC2C(O)c4cc(OC)c(OC)c(OC)c4)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M12 compound treatment 0.0147 0.015 0.58 0.0081 0.00848 0.35 0.6579 0.9696 3092780 BCB02_000204 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4cc(Cl)ccc4Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M13 compound treatment -0.0023 -0.00199 -0.08 -0.0039 -0.00351 -0.14 -0.1566 -0.9583 3001169 BCB02_000205 COc1ccc(NN2C3C(C=CC2C(O)C4=CC[C@H](CC4)C(=C)C)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M14 compound treatment 0.0017 0.00201 0.08 0.0061 0.00648 0.27 0.2431 0.8778 3092781 BCB02_000206 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M15 compound treatment 0.0047 0.00501 0.2 0.0011 0.00149 0.06 0.1811 0.8863 3001170 BCB02_000207 COc1ccc(NN2C3C(C=CC2C(O)c4ccco4)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M16 mock treatment 0.0047 0.00501 0.2 0.0041 0.00449 0.18 0.2681 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M17 mock treatment -0.0053 -0.00499 -0.19 0.0091 0.00948 0.39 0.1372 0.3157 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M18 mock treatment 0.0176 0.018 0.7 0.0111 0.0115 0.47 0.8275 0.9814 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M19 mock treatment 0.0127 0.013 0.5 0.0151 0.0155 0.63 0.8056 0.9936 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M20 mock treatment 0.0017 0.00201 0.08 0.0041 0.00449 0.18 0.1855 0.9271 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M21 mock treatment 0.0107 0.011 0.43 0.0071 0.00749 0.31 0.519 0.987 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M22 mock treatment 0.0117 0.012 0.47 0.0121 0.0125 0.51 0.6911 0.9989 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M23 mock treatment 0.0127 0.013 0.5 0.0131 0.0135 0.55 0.7477 0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 M24 mock treatment -0.0143 -0.014 -0.55 -0.0099 -0.00951 -0.39 -0.661 -0.9864 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N01 compound treatment -0.0263 -0.026 -1.01 -0.0239 -0.0235 -0.96 -1.3989 -0.9997 3092782 BCB02_000208 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N02 compound treatment -0.0164 -0.016 -0.63 -0.0209 -0.0205 -0.84 -1.0365 -0.9894 3092783 BCB02_000209 CCC[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N03 compound treatment -0.0043 -0.00399 -0.16 -9.0E-4 -5.06E-4 -0.02 -0.1247 -0.7942 3001171 BCB02_000210 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc([Ac])cc2)c3ccc([Ac])cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N04 compound treatment -0.0214 -0.021 -0.82 -0.0159 -0.0155 -0.64 -1.0295 -0.9921 3092784 BCB02_000211 CCS[C@@H]1[C@@H](CC)N([C@H]([C@@H]1C(=O)O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N05 compound treatment -0.0324 -0.0321 -1.25 -0.0279 -0.0275 -1.13 -1.6812 -0.9987 3001172 BCB02_000212 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccc([Ac])cc2)c3ccc([Ac])cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N06 compound treatment -0.0193 -0.019 -0.74 -0.0209 -0.0205 -0.84 -1.1192 -0.9981 3092785 BCB02_000213 CCOC1=C2C(N(CC2C3C(C1)C(=O)N(C3=O)c4ccccc4)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N07 compound treatment -0.0374 -0.037 -1.44 -0.0349 -0.0345 -1.41 -2.0207 -0.9999 3092786 BCB02_000214 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N08 compound treatment -0.0343 -0.034 -1.33 -0.0389 -0.0385 -1.58 -2.054 -0.9963 3001173 BCB02_000215 CCOC1=C2C(N(CC2n3n(C1)c(=O)n(c4ccccc4)c3=O)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N09 compound treatment -0.0454 -0.045 -1.75 -0.0469 -0.0465 -1.91 -2.5889 -0.9991 3092787 BCB02_000216 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N10 compound treatment -0.0013 -9.98E-4 -0.04 -0.0089 -0.00851 -0.35 -0.274 -0.7811 3001174 BCB02_000217 Cc1ccc(cc1)C2C3C(CN2S(=O)(=O)c4ccc(C)cc4)C5C(CC3=O)C(=O)N(C5=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N11 compound treatment -0.0193 -0.019 -0.74 -0.0209 -0.0205 -0.84 -1.1192 -0.9981 3092788 BCB02_000218 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccc2C(F)(F)F)c3ccccc3C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N12 compound treatment 0.0086 0.00896 0.35 0.0101 0.0105 0.43 0.5508 0.9946 3092789 BCB02_000219 CCN1C(=O)C2CC(=O)C3C(N(CC3C2C1=O)S(=O)(=O)c4ccc(C)cc4)c5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N13 compound treatment -0.0063 -0.00604 -0.24 -0.0139 -0.0135 -0.55 -0.558 -0.9275 3001175 BCB02_000220 CON(C)C(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N14 compound treatment -0.0033 -0.00299 -0.12 -9.0E-4 -5.06E-4 -0.02 -0.0972 -0.8198 3092790 BCB02_000221 CC[C@@H]1[C@@H]2[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)CC5C2C(=O)N(CC)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N15 compound treatment -0.0193 -0.019 -0.74 -0.0209 -0.0205 -0.84 -1.1192 -0.9981 3001176 BCB02_000222 CC(C)OC(=O)CC(=O)CC(O)c1ccc(cc1)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N16 mock treatment -0.0023 -0.002 -0.08 -0.0019 -0.00151 -0.06 -0.0986 -0.9934 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N17 mock treatment -0.0174 -0.017 -0.66 -0.0079 -0.00751 -0.31 -0.6872 -0.9388 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N18 mock treatment 0.0017 0.00201 0.08 1.0E-4 4.94E-4 0.02 0.0696 0.862 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N19 mock treatment -0.0234 -0.023 -0.9 -0.0189 -0.0185 -0.76 -1.1715 -0.9965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N20 mock treatment -0.0083 -0.00799 -0.31 -0.0099 -0.00951 -0.39 -0.4957 -0.9939 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N21 mock treatment 0.0076 0.00796 0.31 0.0101 0.0105 0.43 0.523 0.9872 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N22 mock treatment -0.0083 -0.008 -0.31 -0.0039 -0.00351 -0.14 -0.3219 -0.9382 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N23 mock treatment 0.0027 0.00301 0.12 0.0041 0.00449 0.18 0.213 0.9761 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 N24 mock treatment 6.0E-4 9.05E-4 0.04 0.0011 0.00148 0.06 0.068 0.9664 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O01 compound treatment 0.0037 0.00401 0.16 0.0081 0.00849 0.35 0.3565 0.9345 3092791 BCB02_000223 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccc(Br)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O02 compound treatment -0.0303 -0.03 -1.17 -0.0479 -0.0475 -1.95 -2.2043 -0.9704 3001177 BCB02_000224 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccco3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O03 compound treatment 0.0036 0.00391 0.15 -0.0059 -0.00552 -0.23 -0.0522 -0.1917 3092792 BCB02_000225 COc1ccc(NN2C3C(C=CC2C(O)c4ccc(OC)c(OCc5ccccc5)c4)C(=O)N(C6CCCCC6)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O04 compound treatment -0.0194 -0.0191 -0.74 -0.0239 -0.0235 -0.96 -1.2075 -0.9918 3001178 BCB02_000226 CCOC(=O)C1=CC[C@H](N([C@@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O05 compound treatment 0.0236 0.024 0.93 0.0201 0.0205 0.84 1.2534 0.9986 3092860 BCB02_000227 COc1ccc(NN2C3C(C=CC2C(O)c4ccccn4)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O06 compound treatment 0.0107 0.011 0.43 0.0061 0.00648 0.27 0.4897 0.974 3001179 BCB02_000228 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)CC[Si](C)(C)C)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O07 compound treatment -0.0124 -0.012 -0.47 -0.0119 -0.0115 -0.47 -0.6655 -1.0 3092861 BCB02_000229 CCOc1cc(ccc1O)C(O)C2C=CC3C(N2Nc4ccc(OC)cc4)C(=O)N(C5CCCCC5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O08 compound treatment 6.0E-4 9.05E-4 0.04 0.0011 0.00148 0.06 0.068 0.9664 3001245 BCB02_000230 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccn3C(=O)OC(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O09 compound treatment -0.0013 -9.98E-4 -0.04 1.0E-4 4.94E-4 0.02 -0.0132 -0.3003 3092862 BCB02_000231 COc1ccc(NN2C3C(C=CC2C(O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O10 compound treatment -0.0083 -0.008 -0.31 -0.0099 -0.00951 -0.39 -0.4958 -0.9939 3001246 BCB02_000232 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O11 compound treatment -0.0214 -0.0211 -0.82 -0.0189 -0.0185 -0.76 -1.1177 -0.9992 3092863 BCB02_000233 Cc1ccc(NN2C3C(C=CC2C(O)c4c(F)cccc4Cl)C(=O)N(C5CCCCC5)C3=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O12 compound treatment -3.0E-4 5.31E-6 0.0 -9.0E-4 -5.16E-4 -0.02 -0.0148 -0.7001 3001247 BCB02_000234 CCOC(=O)C1=CCC(NC1)c2cc3ccccc3[nH]2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O13 compound treatment 0.0017 0.00201 0.08 -0.0059 -0.00551 -0.23 -0.1043 -0.4368 3092864 BCB02_000235 OC(C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O14 compound treatment -0.0033 -0.003 -0.12 -0.0059 -0.00551 -0.23 -0.2421 -0.953 3001248 BCB02_000236 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccccc2[N+](=O)[O-])c3cc4ccccc4[nH]3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O15 compound treatment 0.0277 0.028 1.09 0.0271 0.0275 1.13 1.5666 0.9999 3092865 BCB02_000237 CCC(CC)C(O)C1C=CC2C(N1Nc3ccccc3F)C(=O)N(C2=O)c4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O16 mock treatment -0.0073 -0.00699 -0.27 -0.0049 -0.00451 -0.18 -0.3233 -0.982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O17 mock treatment 0.0017 0.00201 0.08 0.0051 0.00548 0.22 0.2142 0.9001 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O18 mock treatment 0.0047 0.00501 0.2 0.0061 0.00648 0.27 0.3258 0.9884 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O19 mock treatment -0.0043 -0.00399 -0.16 -0.0039 -0.00351 -0.14 -0.2116 -0.9992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O20 mock treatment -0.0164 -0.016 -0.63 -0.0129 -0.0125 -0.51 -0.8044 -0.9951 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O21 mock treatment 0.0117 0.012 0.47 0.0111 0.0115 0.47 0.6622 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O22 mock treatment 0.0076 0.00796 0.31 0.0141 0.0145 0.59 0.6389 0.9541 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O23 mock treatment 0.0167 0.017 0.66 0.0201 0.0205 0.84 1.0607 0.993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 O24 mock treatment -0.0434 -0.043 -1.68 -0.0059 -0.00551 -0.23 -1.3454 -0.7951 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P01 compound treatment -0.0403 -0.04 -1.56 -0.0349 -0.0345 -1.41 -2.1034 -0.9988 3001249 BCB02_000238 CC(C)OC(=O)CC(=O)CC(O)c1cccc(c1)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P02 compound treatment -0.0053 -0.00504 -0.2 -0.0099 -0.00952 -0.39 -0.4147 -0.9497 3092866 BCB02_000239 CC[C@@H]1[C@H]2[C@@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)CC5C2C(=O)N(CC)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P03 compound treatment -0.0223 -0.022 -0.86 -0.0239 -0.0235 -0.96 -1.2887 -0.9984 3001250 BCB02_000240 CC(C)OC(=O)CC(=O)CC(O)c1cccc(C#N)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P04 compound treatment -0.0154 -0.015 -0.59 -0.0219 -0.0215 -0.88 -1.038 -0.9803 3092867 BCB02_000241 CCOC(=O)C1=CC[C@H](N([C@H]1CC)S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P05 compound treatment -0.0204 -0.02 -0.78 -0.0199 -0.0195 -0.8 -1.1177 -0.9999 3001251 BCB02_000242 CC(C)OC(=O)CC(=O)CC(O)c1ccc(C#N)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P06 compound treatment -0.0164 -0.016 -0.63 -0.0189 -0.0185 -0.76 -0.9783 -0.9954 3092868 BCB02_000243 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P07 compound treatment -0.0364 -0.036 -1.4 -0.0389 -0.0385 -1.58 -2.1091 -0.9983 3001252 BCB02_000244 COC(=O)C1=CCC(CC1)(C=C)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P08 compound treatment -0.0273 -0.027 -1.05 -0.0279 -0.0275 -1.13 -1.5424 -0.9994 3092869 BCB02_000245 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P09 compound treatment -0.0193 -0.019 -0.74 -0.0169 -0.0165 -0.68 -1.0033 -0.9989 3001253 BCB02_000246 COC(=O)/C=C(/CC(O)c1cccc(Cl)c1)\OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P10 compound treatment -0.0704 -0.0701 -2.73 -0.0369 -0.0365 -1.5 -2.9892 -0.9599 3092870 BCB02_000247 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P11 compound treatment -0.0424 -0.0421 -1.64 -0.0459 -0.0455 -1.87 -2.4786 -0.9979 3001254 BCB02_000248 OC(C/C(=C/C(=O)OCCF)/OCCF)c1cccc(Cl)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P12 compound treatment -0.0284 -0.028 -1.09 -0.0399 -0.0395 -1.62 -1.9177 -0.9817 3092871 BCB02_000249 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(Br)c2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCC=C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P13 compound treatment -0.0294 -0.029 -1.13 -0.0389 -0.0385 -1.58 -1.9163 -0.9867 3001255 BCB02_000250 CCO/C(=C\C(=O)OC)/CC(O)c1cccc(Cl)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P14 compound treatment -0.0093 -0.00899 -0.35 -0.0119 -0.0115 -0.47 -0.5812 -0.9893 3092774 BCB02_000251 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P15 compound treatment -0.0303 -0.03 -1.17 -0.0309 -0.0305 -1.25 -1.712 -0.9995 3092872 BCB02_000252 FCCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P16 mock treatment -0.0204 -0.02 -0.78 -0.0249 -0.0245 -1.0 -1.2626 -0.9922 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P17 mock treatment -0.0184 -0.018 -0.7 -0.0189 -0.0185 -0.76 -1.0337 -0.9993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P18 mock treatment -0.0353 -0.035 -1.37 -0.0379 -0.0375 -1.54 -2.0526 -0.9982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P19 mock treatment -0.0193 -0.019 -0.74 -0.0229 -0.0225 -0.92 -1.1771 -0.9942 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P20 mock treatment -0.0163 -0.016 -0.62 -0.0179 -0.0175 -0.72 -0.9479 -0.9975 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P21 mock treatment -0.0204 -0.02 -0.78 -0.0169 -0.0165 -0.68 -1.0308 -0.9975 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P22 mock treatment -0.0233 -0.023 -0.9 -0.0209 -0.0205 -0.84 -1.2294 -0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P23 mock treatment -0.0374 -0.037 -1.44 -0.0349 -0.0345 -1.41 -2.0209 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2088 P24 mock treatment 0.0116 0.0119 0.46 0.0111 0.0115 0.47 0.6608 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A01 compound treatment 0.0068 0.00806 0.31 0.0288 0.0289 1.18 1.058 0.8649 3186889 PK04_093001 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A02 compound treatment 0.0108 0.012 0.47 0.0249 0.0249 1.02 1.0535 0.9379 3067555 PK04_093002 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A03 compound treatment 0.0028 0.00402 0.16 -0.0242 -0.0241 -0.99 -0.5878 -0.5877 3186890 PK04_093003 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A04 compound treatment 0.0028 0.00406 0.16 -0.0132 -0.0131 -0.54 -0.2693 -0.4795 3186891 PK04_093004 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A05 compound treatment 0.0138 0.015 0.59 0.0148 0.0149 0.61 0.8456 0.9998 3067558 PK04_093005 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A06 compound treatment 0.0118 0.013 0.51 0.0028 0.00289 0.12 0.4426 0.8493 3186892 PK04_093006 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A07 compound treatment 0.0208 0.022 0.86 -0.0152 -0.0151 -0.62 0.1684 0.1589 3067559 PK04_093007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A08 compound treatment -2.0E-4 0.00102 0.04 -0.0101 -0.0101 -0.41 -0.2647 -0.6365 3186893 PK04_093008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A09 compound treatment -0.0222 -0.021 -0.82 -0.0021 -0.00206 -0.08 -0.6369 -0.7761 3186894 PK04_093009 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A10 compound treatment -0.0162 -0.015 -0.58 -0.0132 -0.0131 -0.54 -0.7924 -0.9992 3067560 PK04_093010 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A11 compound treatment 0.0078 0.00902 0.35 0.0069 0.00694 0.28 0.4496 0.9945 3186895 PK04_093011 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A12 compound treatment -0.0302 -0.029 -1.13 0.0039 0.00394 0.16 -0.6841 -0.6 3186896 PK04_093012 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A13 mock treatment -0.0052 -0.00398 -0.16 -0.0081 -0.00806 -0.33 -0.3433 -0.9407 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A14 mock treatment -0.0182 -0.017 -0.66 -0.0081 -0.00806 -0.33 -0.7006 -0.9487 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A15 compound treatment 0.0198 0.021 0.82 0.0249 0.0249 1.02 1.3008 0.9941 3067562 PK04_093013 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A16 compound treatment -0.0062 -0.00495 -0.19 0.0029 0.00294 0.12 -0.0512 -0.2248 3186897 PK04_093014 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A17 compound treatment 8.0E-4 0.00202 0.08 -0.0032 -0.00315 -0.13 -0.0357 -0.2363 3067564 PK04_093015 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A18 compound treatment 0.0078 0.00902 0.35 0.0079 0.00794 0.33 0.4786 0.9993 3186898 PK04_093016 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A19 compound treatment 0.0018 0.00302 0.12 0.0069 0.0069 0.28 0.2831 0.9245 3186899 PK04_093017 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A20 compound treatment 0.0038 0.00502 0.2 -0.0021 -0.00206 -0.08 0.0785 0.3688 3067604 PK04_093018 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A21 compound treatment -0.0072 -0.00598 -0.23 0.0138 0.0139 0.57 0.238 0.3866 3186900 PK04_093019 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A22 compound treatment -0.0812 -0.08 -3.12 -0.0852 -0.0851 -3.49 -4.6695 -0.9984 3067607 PK04_093020 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A23 compound treatment 8.0E-4 0.00202 0.08 0.0049 0.00494 0.2 0.1988 0.915 3186901 PK04_093021 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 A24 compound treatment -0.0532 -0.0519 -2.02 -0.0342 -0.0341 -1.4 -2.4206 -0.9838 3186902 PK04_093022 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B01 compound treatment -0.0052 -0.00398 -0.16 -0.0031 -0.00306 -0.13 -0.1983 -0.9945 3067612 PK04_093023 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B02 compound treatment -0.0082 -0.00697 -0.27 -0.0182 -0.0181 -0.74 -0.7169 -0.9071 3186903 PK04_093024 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B03 compound treatment 0.0368 0.038 1.48 0.0418 0.0419 1.72 2.2609 0.9974 3067614 PK04_093025 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B04 compound treatment 0.0188 0.02 0.78 -0.0071 -0.00706 -0.29 0.3476 0.4173 3186904 PK04_093026 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B05 compound treatment 0.0258 0.027 1.05 0.0118 0.0119 0.49 1.0899 0.9387 3186905 PK04_093027 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B06 compound treatment -0.0052 -0.00398 -0.16 -0.0051 -0.00506 -0.21 -0.2564 -0.9898 3068180 PK04_093028 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B07 compound treatment 0.0148 0.016 0.63 0.0039 0.00394 0.16 0.5563 0.8614 3186906 PK04_093029 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B08 compound treatment 0.0218 0.023 0.9 0.0199 0.0199 0.82 1.2116 0.9988 3186992 PK04_093030 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B09 compound treatment 0.0098 0.011 0.43 0.0179 0.0179 0.73 0.823 0.9677 3068181 PK04_093031 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B10 compound treatment 0.0328 0.034 1.33 0.0388 0.0389 1.59 2.0638 0.9959 3186993 PK04_093032 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B11 compound treatment 0.0158 0.017 0.66 0.0188 0.0189 0.77 1.0174 0.9971 3068182 PK04_093033 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B12 compound treatment 0.0038 0.00506 0.2 0.0199 0.0199 0.82 0.716 0.8534 3186994 PK04_093034 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B13 mock treatment 0.0098 0.011 0.43 0.0208 0.0209 0.86 0.9099 0.9493 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B14 mock treatment 0.0188 0.02 0.78 0.0039 0.00394 0.16 0.6663 0.8355 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B15 compound treatment 0.0178 0.019 0.74 0.0178 0.0179 0.73 1.0424 1.0 3068183 PK04_093035 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B16 compound treatment 0.0108 0.012 0.47 0.0029 0.00294 0.12 0.4172 0.8608 3186995 PK04_093036 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B17 compound treatment 0.0388 0.04 1.56 0.0289 0.0289 1.18 1.9407 0.9908 3186996 PK04_093037 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B18 compound treatment 0.0228 0.0241 0.94 0.0148 0.0149 0.61 1.0931 0.9781 3068184 PK04_093038 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B19 compound treatment 0.0198 0.021 0.82 0.0239 0.0239 0.98 1.2725 0.9961 3186997 PK04_093039 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B20 compound treatment 0.0208 0.0221 0.86 0.0289 0.0289 1.18 1.4451 0.9876 3186998 PK04_093040 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B21 compound treatment 0.0038 0.00506 0.2 0.0108 0.0109 0.44 0.4537 0.9329 3068185 PK04_093041 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B22 compound treatment -0.0022 -9.83E-4 -0.04 -0.0081 -0.00806 -0.33 -0.2606 -0.7838 3186999 PK04_093042 CN(C)C(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B23 compound treatment 0.0358 0.0371 1.44 0.0168 0.0169 0.69 1.5103 0.9433 3068186 PK04_093043 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 B24 compound treatment 0.0228 0.024 0.94 0.0179 0.0179 0.73 1.1812 0.9927 3187000 PK04_093044 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C01 compound treatment -2.0E-4 0.00102 0.04 0.0059 0.00594 0.24 0.2002 0.8115 3187001 PK04_093045 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C02 compound treatment 0.0168 0.018 0.7 9.0E-4 9.43E-4 0.04 0.5245 0.7448 3068187 PK04_093046 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C03 compound treatment 0.0028 0.00402 0.16 -0.0011 -0.00106 -0.04 0.08 0.4923 3187002 PK04_093047 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C04 compound treatment 0.0068 0.00805 0.31 -0.0272 -0.0271 -1.11 -0.5636 -0.4884 3068188 PK04_093048 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C05 compound treatment 0.0298 0.031 1.21 -0.0021 -0.00206 -0.08 0.7956 0.6562 3187003 PK04_093049 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C06 compound treatment 0.0018 0.00302 0.12 0.0098 0.0099 0.41 0.37 0.876 3187004 PK04_093050 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C07 compound treatment -0.0082 -0.00698 -0.27 0.0019 0.00194 0.08 -0.1362 -0.4804 3068189 PK04_093051 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C08 compound treatment 0.0078 0.00902 0.35 0.0049 0.00494 0.2 0.3915 0.9656 3187005 PK04_093052 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C09 compound treatment 0.0018 0.00302 0.12 0.0059 0.00594 0.24 0.2553 0.9442 3187006 PK04_093053 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C10 compound treatment -0.0012 1.71E-5 0.0 0.0119 0.0119 0.49 0.3465 0.7081 3068190 PK04_093054 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C11 mock treatment 0.0018 0.00302 0.12 -1.0E-4 -5.99E-5 0.0 0.0814 0.6922 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C12 mock treatment -0.0012 1.71E-5 0.0 -0.0021 -0.00206 -0.08 -0.0592 -0.7015 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C13 compound treatment 0.0138 0.015 0.59 0.0258 0.0259 1.06 1.1649 0.9609 3187007 PK04_093055 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C14 compound treatment -0.0122 -0.011 -0.43 0.0049 0.00494 0.2 -0.1585 -0.3357 3068191 PK04_093056 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C15 mock treatment -0.0052 -0.00398 -0.16 0.0019 0.00194 0.08 -0.0534 -0.3063 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C16 mock treatment 0.0088 0.01 0.39 9.0E-4 9.4E-4 0.04 0.304 0.773 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C17 compound treatment 0.0418 0.0431 1.68 0.0438 0.0439 1.8 2.4569 0.9994 3187008 PK04_093057 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C18 compound treatment 0.0218 0.023 0.9 0.0159 0.0159 0.65 1.0957 0.9876 3068193 PK04_093058 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C19 compound treatment 0.0118 0.013 0.51 0.0268 0.0269 1.1 1.1389 0.9382 3187009 PK04_093059 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C20 compound treatment -0.0192 -0.018 -0.7 -0.0142 -0.0141 -0.58 -0.9052 -0.9956 3187010 PK04_093060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C21 compound treatment -0.0022 -9.83E-4 -0.04 0.0169 0.0169 0.69 0.4626 0.667 3068197 PK04_093061 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C22 compound treatment -0.0122 -0.011 -0.43 -0.0071 -0.00706 -0.29 -0.5072 -0.9818 3187011 PK04_093062 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C23 compound treatment -0.0052 -0.00398 -0.16 -0.0101 -0.0101 -0.41 -0.4024 -0.9103 3068199 PK04_093063 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 C24 compound treatment -2.0E-4 0.00102 0.04 -0.0031 -0.00306 -0.13 -0.0606 -0.46 3187012 PK04_093064 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCCCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D01 compound treatment -0.0012 1.71E-5 0.0 -1.0E-4 -5.99E-5 0.0 -0.0013 -0.4967 3187091 PK04_093065 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D02 compound treatment -0.0072 -0.00598 -0.23 -0.0071 -0.00706 -0.29 -0.3695 -0.9942 3068202 PK04_093066 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D03 compound treatment -0.0032 -0.00195 -0.08 -1.0E-4 -5.99E-5 0.0 -0.0555 -0.7295 3187092 PK04_093067 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D04 compound treatment -0.0042 -0.00298 -0.12 0.0369 0.0369 1.51 0.9871 0.6508 3187093 PK04_093068 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D05 compound treatment -0.0092 -0.00795 -0.31 -0.0021 -0.00206 -0.08 -0.2787 -0.8679 3068220 PK04_093069 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D06 compound treatment 0.0428 0.0441 1.72 0.0348 0.0349 1.43 2.2236 0.9958 3187094 PK04_093070 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D07 compound treatment 0.0068 0.00802 0.31 0.0039 0.00394 0.16 0.335 0.9529 3068223 PK04_093071 COC(=O)[C@H]1COC(=N1)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D08 compound treatment 0.0048 0.00602 0.23 0.0079 0.00794 0.33 0.3959 0.987 3187095 PK04_093072 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D09 compound treatment 0.0238 0.025 0.98 0.0138 0.0139 0.57 1.0928 0.9671 3068225 PK04_093073 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D10 compound treatment -0.0152 -0.014 -0.54 -0.0072 -0.0071 -0.29 -0.5901 -0.9571 3187096 PK04_093074 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D11 mock treatment 0.0098 0.011 0.43 0.0079 0.00794 0.33 0.5345 0.9905 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D12 mock treatment -0.0062 -0.00498 -0.19 0.0049 0.00494 0.2 0.0059 0.021 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D13 compound treatment 0.0128 0.014 0.55 9.0E-4 9.4E-4 0.04 0.4142 0.755 3187097 PK04_093075 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D14 compound treatment 0.0098 0.011 0.43 0.0418 0.0419 1.72 1.5185 0.8578 3068228 PK04_093076 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D15 mock treatment -0.0152 -0.014 -0.54 -0.0062 -0.0061 -0.25 -0.5612 -0.9379 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D16 mock treatment -2.0E-4 0.00102 0.04 0.0098 0.0099 0.41 0.3149 0.7725 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D17 compound treatment 0.0018 0.00302 0.12 0.0098 0.0099 0.41 0.3701 0.876 3187098 PK04_093077 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D18 compound treatment 0.0208 0.022 0.86 0.0178 0.0179 0.73 1.1252 0.9969 3187099 PK04_093078 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D19 compound treatment 0.0088 0.01 0.39 0.0158 0.0159 0.65 0.7365 0.9701 3068229 PK04_093079 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D20 compound treatment 0.0238 0.025 0.98 0.0078 0.00789 0.32 0.9181 0.8937 3187100 PK04_093080 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D21 compound treatment -0.0102 -0.00895 -0.35 0.0039 0.0039 0.16 -0.1336 -0.3483 3068232 PK04_093081 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D22 compound treatment 0.0108 0.012 0.47 9.0E-4 9.4E-4 0.04 0.3583 0.7627 3187101 PK04_093082 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D23 compound treatment 8.0E-4 0.00202 0.08 0.0199 0.0199 0.82 0.6322 0.7717 3187102 PK04_093083 COC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 D24 compound treatment -0.0012 1.71E-5 0.0 0.0098 0.0099 0.41 0.2874 0.7083 3068234 PK04_093084 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E01 mock treatment 0.0028 0.00402 0.16 0.0129 0.0129 0.53 0.4845 0.8787 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E02 mock treatment 0.0128 0.014 0.55 0.0069 0.00694 0.28 0.5882 0.9535 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E03 compound treatment 0.0208 0.022 0.86 0.0129 0.0129 0.53 0.9824 0.9731 3187103 PK04_093085 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E04 compound treatment 0.0258 0.027 1.05 0.0149 0.0149 0.61 1.1781 0.9666 3187104 PK04_093086 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E05 compound treatment 0.0138 0.015 0.59 0.0169 0.0169 0.69 0.9043 0.9966 3068237 PK04_093087 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E06 compound treatment 0.0158 0.017 0.66 0.0078 0.0079 0.32 0.6986 0.9454 3187105 PK04_093088 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E07 compound treatment 0.0368 0.038 1.48 0.0228 0.0229 0.94 1.7118 0.9757 3068240 PK04_093089 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E08 compound treatment 0.0468 0.0481 1.87 0.0258 0.0259 1.06 2.0744 0.9638 3187106 PK04_093090 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E09 mock treatment 0.0198 0.021 0.82 0.0149 0.0149 0.61 1.0116 0.9895 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E10 mock treatment 0.0228 0.024 0.94 0.0259 0.0259 1.06 1.4131 0.9981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E11 compound treatment -0.0112 -0.00995 -0.39 0.0169 0.0169 0.69 0.2155 0.2715 3068242 PK04_093091 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E12 compound treatment 0.0278 0.029 1.13 0.0089 0.0089 0.36 1.0581 0.8899 3187107 PK04_093092 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E13 compound treatment 0.0318 0.0331 1.29 0.0259 0.0259 1.06 1.6612 0.9954 3068264 PK04_093093 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E14 compound treatment 0.0138 0.015 0.59 0.0308 0.0309 1.27 1.31 0.9388 3187108 PK04_093094 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E15 compound treatment 0.0648 0.066 2.57 0.0449 0.0449 1.84 3.1207 0.9865 3187109 PK04_093095 COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E16 compound treatment 0.0308 0.0321 1.25 0.0359 0.0359 1.47 1.9235 0.9967 3068267 PK04_093096 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E17 mock treatment 0.0068 0.00805 0.31 0.0279 0.0279 1.14 1.0302 0.8689 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E18 mock treatment 0.0198 0.021 0.82 0.0169 0.0169 0.69 1.0696 0.9965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E19 compound treatment 0.0268 0.0281 1.09 0.0338 0.0339 1.39 1.7539 0.993 3187110 PK04_093097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E20 compound treatment 0.0178 0.019 0.74 0.0219 0.0219 0.9 1.1594 0.9955 3187111 PK04_093098 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E21 compound treatment 0.0268 0.028 1.09 0.0328 0.0329 1.35 1.7246 0.9946 3068269 PK04_093099 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E22 compound treatment 0.0368 0.038 1.48 0.0348 0.0349 1.43 2.0595 0.9998 3187184 PK04_093100 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E23 compound treatment 0.0098 0.011 0.43 0.0149 0.0149 0.61 0.7362 0.9854 3068272 PK04_093101 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 E24 compound treatment 0.0248 0.0261 1.02 0.0568 0.0569 2.33 2.3652 0.9307 3187185 PK04_093102 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F01 mock treatment -0.0102 -0.00898 -0.35 -0.0081 -0.00806 -0.33 -0.4811 -0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F02 mock treatment -2.0E-4 0.00102 0.04 -0.0132 -0.0131 -0.54 -0.3516 -0.6531 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F03 compound treatment 0.0118 0.013 0.51 0.0179 0.0179 0.73 0.8782 0.984 3068274 PK04_093103 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F04 compound treatment 0.0088 0.01 0.39 0.0268 0.0269 1.1 1.0556 0.9026 3187186 PK04_093104 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F05 compound treatment 0.0308 0.032 1.25 0.0089 0.00894 0.37 1.1419 0.8776 3068276 PK04_093105 COC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F06 compound treatment -2.0E-4 0.00102 0.04 -1.0E-4 -5.99E-5 0.0 0.0263 0.662 3187187 PK04_093106 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F07 compound treatment 0.0078 0.00902 0.35 -0.0031 -0.00306 -0.13 0.1597 0.4282 3187188 PK04_093107 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F08 compound treatment 0.0218 0.023 0.9 0.0179 0.0179 0.73 1.1536 0.995 3068278 PK04_093108 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F09 mock treatment -0.0102 -0.00895 -0.35 0.0199 0.0199 0.82 0.33 0.3721 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F10 mock treatment 0.0238 0.025 0.98 0.0099 0.00994 0.41 0.9781 0.9249 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F11 compound treatment 0.0118 0.013 0.51 0.0208 0.0209 0.86 0.965 0.969 3187189 PK04_093109 COC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F12 compound treatment 0.0048 0.00605 0.24 -0.0091 -0.00906 -0.37 -0.0959 -0.2182 3068280 PK04_093110 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F13 compound treatment 0.0488 0.0501 1.95 0.0389 0.0389 1.59 2.5063 0.995 3187190 PK04_093111 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F14 compound treatment 0.0078 0.00902 0.35 0.0268 0.0269 1.1 1.0279 0.8884 3187191 PK04_093112 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F15 compound treatment 0.0038 0.00502 0.2 0.0328 0.0329 1.35 1.0916 0.8012 3068282 PK04_093113 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F16 compound treatment 0.0318 0.0331 1.29 0.0248 0.0249 1.02 1.6308 0.9932 3187192 PK04_093114 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F17 mock treatment 0.0068 0.00802 0.31 0.0078 0.0079 0.32 0.4498 0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F18 mock treatment 0.0088 0.01 0.39 0.0249 0.0249 1.02 0.9975 0.913 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F19 compound treatment 0.0288 0.03 1.17 0.0188 0.0189 0.77 1.3755 0.9799 3187193 PK04_093115 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F20 compound treatment 0.0358 0.0371 1.44 0.0288 0.0289 1.18 1.8569 0.9951 3068312 PK04_093116 NC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F21 compound treatment 0.0118 0.013 0.51 0.0138 0.0139 0.57 0.7614 0.9983 3068314 PK04_093117 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F22 compound treatment 0.0028 0.00402 0.16 0.0089 0.0089 0.36 0.3686 0.9287 3187194 PK04_093118 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F23 compound treatment 0.0278 0.029 1.13 0.0038 0.00389 0.16 0.913 0.7988 3187195 PK04_093119 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 F24 compound treatment -0.0032 -0.00198 -0.08 0.0179 0.0179 0.73 0.4641 0.6292 3068317 PK04_093120 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G01 compound treatment 0.0088 0.01 0.39 -0.0132 -0.0131 -0.54 -0.1028 -0.1547 3187196 PK04_093121 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G02 compound treatment -0.0112 -0.00998 -0.39 -0.0081 -0.00806 -0.33 -0.5086 -0.9967 3068319 PK04_093122 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N3CCCCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G03 mock treatment -0.0092 -0.00795 -0.31 -0.0011 -0.00106 -0.04 -0.2498 -0.7984 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G04 mock treatment 0.0098 0.011 0.43 -0.0021 -0.00206 -0.08 0.2438 0.5574 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G05 compound treatment 0.0078 0.00902 0.35 0.0129 0.0129 0.53 0.6235 0.98 3187197 PK04_093123 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G06 compound treatment 0.0028 0.00402 0.16 0.0078 0.0079 0.32 0.3396 0.9444 3187198 PK04_093124 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G07 compound treatment 0.0128 0.014 0.55 0.0118 0.0119 0.49 0.7317 0.9983 3068323 PK04_093125 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G08 compound treatment 0.0068 0.00805 0.31 -0.0091 -0.00906 -0.37 -0.0408 -0.084 3187199 PK04_093126 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G09 compound treatment 0.0078 0.00902 0.35 0.0098 0.00989 0.41 0.535 0.9975 3068325 PK04_093127 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G10 compound treatment 0.0028 0.00402 0.16 0.0059 0.0059 0.24 0.2816 0.9778 3187200 PK04_093128 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G11 compound treatment -0.0022 -9.53E-4 -0.04 -0.0141 -0.0141 -0.58 -0.4348 -0.751 3187201 PK04_093129 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G12 compound treatment 0.0148 0.016 0.63 0.0059 0.0059 0.24 0.6131 0.9146 3068327 PK04_093130 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G13 compound treatment 0.0208 0.022 0.86 -0.0031 -0.00306 -0.13 0.5188 0.5977 3187202 PK04_093131 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G14 compound treatment -0.0092 -0.00798 -0.31 -0.0242 -0.0241 -0.99 -0.9183 -0.8868 3187203 PK04_093132 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G15 compound treatment 0.0068 0.00802 0.31 0.0118 0.0119 0.49 0.5656 0.9769 3068330 PK04_093133 COC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G16 compound treatment 0.0028 0.00402 0.16 -0.0121 -0.0121 -0.49 -0.2388 -0.4606 3068332 PK04_093134 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G17 compound treatment -0.0352 -0.0339 -1.32 -0.0422 -0.0421 -1.73 -2.1554 -0.9914 3187278 PK04_093135 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G18 compound treatment -0.0012 2.11E-5 0.0 -0.0031 -0.00306 -0.13 -0.0882 -0.7025 3187279 PK04_093136 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G19 mock treatment 0.0078 0.00902 0.35 -0.0122 -0.0121 -0.5 -0.1023 -0.1682 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G20 mock treatment -0.0222 -0.021 -0.82 -0.0061 -0.00606 -0.25 -0.7528 -0.8823 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G21 compound treatment 8.0E-4 0.00202 0.08 -0.0121 -0.0121 -0.5 -0.2951 -0.5877 3187280 PK04_093137 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G22 compound treatment -0.0082 -0.00695 -0.27 -0.0031 -0.00306 -0.13 -0.2802 -0.9387 3068361 PK04_093138 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G23 compound treatment -0.0022 -9.83E-4 -0.04 0.0028 0.00289 0.12 0.0567 0.4553 3187281 PK04_093139 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 G24 compound treatment -0.0222 -0.021 -0.82 -0.0081 -0.0081 -0.33 -0.812 -0.9214 3187282 PK04_093140 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H01 compound treatment 0.0048 0.00602 0.23 -0.0051 -0.00506 -0.21 0.0191 0.0612 3068365 PK04_093141 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H02 compound treatment -0.0122 -0.011 -0.43 0.0138 0.0139 0.57 0.1009 0.1418 3187283 PK04_093142 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H03 mock treatment -0.0022 -9.53E-4 -0.04 -0.0141 -0.0141 -0.58 -0.4348 -0.751 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H04 mock treatment -0.0082 -0.00695 -0.27 -0.0042 -0.0041 -0.17 -0.3104 -0.9736 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H05 compound treatment 0.0058 0.00702 0.27 0.0119 0.0119 0.49 0.5394 0.9622 3068368 PK04_093143 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H06 compound treatment -0.0032 -0.00198 -0.08 -0.0122 -0.0121 -0.5 -0.4054 -0.8075 3187284 PK04_093144 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H07 compound treatment 0.0018 0.00302 0.12 0.0078 0.0079 0.32 0.312 0.906 3187285 PK04_093145 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(CC=C)C1=O)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H08 compound treatment -0.0232 -0.022 -0.86 -0.0121 -0.0121 -0.49 -0.9548 -0.9659 3068370 PK04_093146 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H09 compound treatment 0.0148 0.016 0.63 -0.0041 -0.00406 -0.17 0.3244 0.5015 3187286 PK04_093147 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H10 compound treatment -0.0012 1.71E-5 0.0 0.0179 0.0179 0.73 0.5192 0.7078 3187287 PK04_093148 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H11 compound treatment 8.0E-4 0.00206 0.08 0.0049 0.00494 0.2 0.1998 0.9177 3068373 PK04_093149 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H12 compound treatment 0.0018 0.00302 0.12 -0.0121 -0.0121 -0.5 -0.2674 -0.5247 3187288 PK04_093150 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCc3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H13 compound treatment 0.0178 0.019 0.74 -0.0041 -0.00406 -0.17 0.4071 0.5353 3187289 PK04_093151 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(CC=C)C1=O)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H14 compound treatment 0.0118 0.013 0.51 0.0149 0.0149 0.61 0.7908 0.9958 3068375 PK04_093152 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H15 compound treatment -0.0032 -0.00198 -0.08 0.0029 0.00294 0.12 0.0306 0.214 3187290 PK04_093153 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H16 compound treatment 0.0098 0.011 0.43 -0.0011 -0.00106 -0.04 0.2736 0.6325 3187291 PK04_093154 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H17 compound treatment 0.0048 0.00605 0.24 -0.0071 -0.00706 -0.29 -0.038 -0.1018 3068378 PK04_093155 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H18 compound treatment -0.0122 -0.011 -0.43 -0.0072 -0.0071 -0.29 -0.5075 -0.9826 3187292 PK04_093156 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H19 mock treatment -0.0042 -0.00298 -0.12 -0.0011 -0.00106 -0.04 -0.1129 -0.9099 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H20 mock treatment -0.0042 -0.00298 -0.12 -0.0072 -0.0071 -0.29 -0.2879 -0.9189 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H21 compound treatment 8.0E-4 0.00202 0.08 -0.0031 -0.00306 -0.13 -0.0331 -0.2237 3187293 PK04_093157 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H22 compound treatment 8.0E-4 0.00202 0.08 0.0068 0.00689 0.28 0.2552 0.8708 3068380 PK04_093158 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H23 compound treatment 0.0038 0.00502 0.2 0.0299 0.0299 1.23 1.0047 0.8097 3068402 PK04_093159 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 H24 compound treatment 0.0038 0.00502 0.2 0.0059 0.00594 0.24 0.3103 0.9941 3187294 PK04_093160 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I01 compound treatment -0.0242 -0.0229 -0.89 -0.0342 -0.0341 -1.4 -1.6205 -0.9767 3068406 PK04_093161 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I02 compound treatment -0.0062 -0.00495 -0.19 0.0029 0.00294 0.12 -0.0513 -0.2253 3187295 PK04_093162 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I03 compound treatment -0.0062 -0.00494 -0.19 -0.0122 -0.0121 -0.5 -0.4871 -0.915 3068409 PK04_093163 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I04 compound treatment -0.0132 -0.012 -0.47 -0.0192 -0.0191 -0.78 -0.8828 -0.9692 3187296 PK04_093164 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I05 mock treatment -0.0062 -0.00498 -0.19 0.0089 0.0089 0.36 0.1207 0.2923 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I06 mock treatment -0.0042 -0.00298 -0.12 -0.0061 -0.00606 -0.25 -0.2577 -0.9401 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I07 compound treatment -0.0052 -0.00398 -0.16 0.0059 0.0059 0.24 0.0614 0.2136 3187297 PK04_093165 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I08 compound treatment -0.0122 -0.011 -0.43 -0.0242 -0.0241 -0.99 -1.001 -0.9299 3068413 PK04_093166 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I09 compound treatment -0.0072 -0.00594 -0.23 -0.0242 -0.0241 -0.99 -0.8624 -0.8498 3187298 PK04_093167 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I10 compound treatment 0.0018 0.00306 0.12 0.0048 0.00485 0.2 0.2248 0.97 3187366 PK04_093168 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I11 compound treatment -0.0032 -0.00198 -0.08 0.0019 0.00194 0.08 0.0016 0.0149 3068416 PK04_093169 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I12 compound treatment 0.0138 0.0151 0.59 0.0029 0.0029 0.12 0.4989 0.8334 3187367 PK04_093170 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I13 compound treatment 0.0348 0.0361 1.4 0.0188 0.0189 0.77 1.5407 0.9606 3068419 PK04_093171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I14 compound treatment 0.0058 0.00703 0.27 0.0019 0.00194 0.08 0.2498 0.8762 3187368 PK04_093172 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I15 compound treatment -0.0212 -0.02 -0.78 -0.0071 -0.00706 -0.29 -0.7543 -0.9093 3068421 PK04_093173 COC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I16 compound treatment 0.0048 0.00602 0.23 0.0199 0.0199 0.82 0.7424 0.8749 3187369 PK04_093174 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I17 compound treatment 0.0158 0.017 0.66 -0.0182 -0.0181 -0.74 -0.055 -0.0552 3068423 PK04_093175 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I18 compound treatment -0.0182 -0.0169 -0.66 -0.0402 -0.0401 -1.65 -1.6302 -0.9195 3187370 PK04_093176 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I19 compound treatment -0.0082 -0.00698 -0.27 0.0108 0.0109 0.45 0.1234 0.2361 3187371 PK04_093177 COC(=O)[C@H]1N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I20 compound treatment 0.0038 0.00502 0.2 -0.0011 -0.00106 -0.04 0.1074 0.5363 3068425 PK04_093178 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I21 mock treatment 0.0098 0.011 0.43 -0.0121 -0.0121 -0.5 -0.0471 -0.0718 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I22 mock treatment -0.0072 -0.00598 -0.23 -1.0E-4 -6.09E-5 0.0 -0.1666 -0.7146 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I23 compound treatment 0.0108 0.012 0.47 0.0088 0.00889 0.36 0.5887 0.9923 3187372 PK04_093179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 I24 compound treatment -0.0072 -0.00598 -0.23 -0.0302 -0.0301 -1.23 -1.0371 -0.8261 3068456 PK04_093180 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J01 compound treatment -2.0E-4 0.00102 0.04 -0.0111 -0.0111 -0.45 -0.2925 -0.6428 3187373 PK04_093181 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(CC=C)C1=O)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J02 compound treatment -0.0242 -0.0229 -0.89 8.0E-4 8.5E-4 0.03 -0.6074 -0.679 3187374 PK04_093182 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J03 compound treatment 0.0078 0.00902 0.35 -0.0162 -0.0161 -0.66 -0.2181 -0.2917 3068460 PK04_093183 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J04 compound treatment -0.0062 -0.00498 -0.19 -0.0101 -0.0101 -0.41 -0.4299 -0.9404 3187375 PK04_093184 COCCCNC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J05 mock treatment -0.0182 -0.017 -0.66 -0.0111 -0.0111 -0.45 -0.7875 -0.9831 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J06 mock treatment -0.0012 1.71E-5 0.0 9.0E-4 9.4E-4 0.04 0.0277 0.7193 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J07 compound treatment -0.0082 -0.00698 -0.27 -0.0182 -0.0181 -0.74 -0.717 -0.9073 3187376 PK04_093185 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J08 compound treatment -0.0042 -0.00298 -0.12 -0.0152 -0.0151 -0.62 -0.5196 -0.8253 3068463 PK04_093186 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J09 compound treatment 0.0118 0.0131 0.51 0.0068 0.00685 0.28 0.5582 0.9607 3187377 PK04_093187 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J10 compound treatment -0.0132 -0.012 -0.47 -0.0041 -0.00406 -0.17 -0.4469 -0.9038 3068465 PK04_093188 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J11 compound treatment -0.0012 1.71E-5 0.0 -0.0011 -0.00106 -0.04 -0.0302 -0.6962 3187378 PK04_093189 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J12 compound treatment -0.0122 -0.011 -0.43 -0.0091 -0.00906 -0.37 -0.5651 -0.9975 3068467 PK04_093190 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J13 compound treatment -0.0292 -0.028 -1.09 -0.0162 -0.0161 -0.66 -1.2366 -0.9712 3187379 PK04_093191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(Cc5ccccc5)C3=O)[C@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J14 compound treatment -0.0072 -0.00595 -0.23 -0.0041 -0.00406 -0.17 -0.2816 -0.9867 3187380 PK04_093192 COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J15 compound treatment 0.0058 0.00702 0.27 -0.0152 -0.0151 -0.62 -0.2442 -0.361 3068470 PK04_093193 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J16 compound treatment -0.0032 -0.00195 -0.08 -0.0141 -0.0141 -0.58 -0.4624 -0.7934 3187381 PK04_093194 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J17 compound treatment 0.0138 0.015 0.59 -0.0111 -0.0111 -0.45 0.094 0.1269 3187382 PK04_093195 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J18 compound treatment 0.0168 0.0181 0.7 0.0208 0.0209 0.85 1.1017 0.9953 3068473 PK04_093196 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J19 compound treatment 0.0148 0.016 0.63 -0.0041 -0.00406 -0.17 0.3244 0.5015 3187383 PK04_093197 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J20 compound treatment 0.0038 0.00502 0.2 -0.0072 -0.0071 -0.29 -0.0675 -0.1926 3068475 PK04_093198 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J21 mock treatment 0.0048 0.00602 0.23 0.0039 0.00394 0.16 0.2801 0.9834 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J22 mock treatment 8.0E-4 0.00202 0.08 -0.0232 -0.0231 -0.95 -0.6138 -0.6462 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J23 compound treatment -0.0142 -0.013 -0.5 -0.0152 -0.0151 -0.62 -0.7959 -0.9947 3187384 PK04_093199 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(CCS(=O)(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 J24 compound treatment 0.0108 0.012 0.47 0.0059 0.00594 0.24 0.5032 0.9536 3068477 PK04_093200 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K01 compound treatment -0.2267 -0.225 -8.78 -0.2799 -0.28 -11.47 -14.3191 -0.9913 3187385 PK04_093201 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K02 compound treatment -0.0042 -0.00294 -0.11 -0.0162 -0.0161 -0.66 -0.5491 -0.8174 3187386 PK04_093202 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K03 compound treatment -0.3907 -0.389 -15.17 -0.4389 -0.439 -17.98 -23.4446 -0.9964 3187447 PK04_093203 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K04 compound treatment -2.0E-4 0.00102 0.04 0.0029 0.00294 0.12 0.1132 0.8926 3068500 PK04_093204 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K05 compound treatment 0.0078 0.00905 0.35 0.0089 0.0089 0.36 0.5071 0.9999 3187448 PK04_093205 COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K06 compound treatment 0.0258 0.027 1.05 0.0129 0.0129 0.53 1.1189 0.9491 3187449 PK04_093206 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K07 mock treatment -0.0332 -0.032 -1.24 0.0118 0.0119 0.49 -0.5354 -0.4005 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K08 mock treatment -0.0172 -0.016 -0.62 0.0049 0.00494 0.2 -0.2963 -0.4533 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K09 compound treatment -0.0142 -0.013 -0.5 -0.0062 -0.0061 -0.25 -0.5335 -0.9475 3068503 PK04_093207 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K10 compound treatment -2.0E-4 0.00102 0.04 -0.0031 -0.00306 -0.13 -0.0606 -0.4609 3187450 PK04_093208 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K11 compound treatment 0.0028 0.00402 0.16 0.0129 0.0129 0.53 0.4845 0.8788 3068506 PK04_093209 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K12 compound treatment 0.0028 0.00402 0.16 -0.0041 -0.00406 -0.17 -0.007 -0.0305 3187451 PK04_093210 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K13 compound treatment -0.0322 -0.031 -1.21 -0.0101 -0.0101 -0.41 -1.1442 -0.8978 3187452 PK04_093211 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K14 compound treatment 0.0178 0.019 0.74 0.0049 0.0049 0.2 0.6667 0.8673 3068509 PK04_093212 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K15 mock treatment 0.0128 0.014 0.55 0.0069 0.00694 0.28 0.588 0.9534 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K16 mock treatment -2.0E-4 0.00102 0.04 -1.0E-4 -5.99E-5 0.0 0.0263 0.662 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K17 compound treatment -0.0032 -0.00194 -0.08 0.0068 0.00689 0.28 0.1461 0.4999 3187453 PK04_093213 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K18 compound treatment 0.0148 0.0161 0.63 -0.0112 -0.0111 -0.46 0.1204 0.1556 3187454 PK04_093214 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K19 compound treatment 0.0028 0.00402 0.16 -0.0081 -0.00806 -0.33 -0.1228 -0.336 3068511 PK04_093215 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K20 compound treatment -2.0E-4 0.00106 0.04 0.0108 0.0109 0.45 0.3447 0.7691 3187455 PK04_093216 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K21 compound treatment -0.0062 -0.00498 -0.19 -0.0162 -0.0161 -0.66 -0.6038 -0.8779 3068513 PK04_093217 COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K22 compound treatment 0.0138 0.015 0.59 0.0108 0.0109 0.45 0.7296 0.991 3187456 PK04_093218 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K23 mock treatment -0.0072 -0.00595 -0.23 -0.0051 -0.00506 -0.21 -0.3106 -0.9984 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 K24 mock treatment -0.0162 -0.015 -0.58 -0.0031 -0.00306 -0.13 -0.5005 -0.84 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L01 compound treatment -0.0062 -0.00498 -0.19 0.0069 0.0069 0.28 0.0628 0.1831 3187457 PK04_093219 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L02 compound treatment 0.0018 0.00302 0.12 0.0019 0.00194 0.08 0.1393 0.9819 3068516 PK04_093220 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L03 compound treatment 0.0158 0.017 0.66 0.0168 0.0169 0.69 0.9593 0.9998 3187458 PK04_093221 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L04 compound treatment -0.0362 -0.0349 -1.36 -0.0562 -0.0561 -2.3 -2.5898 -0.9686 3187459 PK04_093222 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L05 compound treatment -0.0422 -0.041 -1.6 -0.0502 -0.0501 -2.05 -2.5808 -0.9922 3068518 PK04_093223 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L06 compound treatment -2.0E-4 0.00106 0.04 -0.0262 -0.0261 -1.07 -0.7275 -0.6794 3187460 PK04_093224 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L07 mock treatment -0.0372 -0.036 -1.4 -0.0432 -0.0431 -1.77 -2.2401 -0.9934 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L08 mock treatment -0.0082 -0.00697 -0.27 -0.0252 -0.0251 -1.03 -0.9209 -0.864 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L09 compound treatment 0.0148 0.016 0.63 0.0098 0.0099 0.41 0.729 0.9781 3068520 PK04_093225 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(CC=C)C1=O)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L10 compound treatment -0.0112 -0.00995 -0.39 0.0129 0.0129 0.53 0.0996 0.1519 3187461 PK04_093226 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L11 compound treatment 0.0108 0.012 0.47 0.0109 0.0109 0.45 0.6478 0.9997 3187462 PK04_093227 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L12 compound treatment -0.0022 -9.83E-4 -0.04 0.0019 0.00194 0.08 0.0291 0.3302 3187463 PK04_093228 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L13 compound treatment 0.0178 0.019 0.74 0.0019 0.00194 0.08 0.581 0.7784 3068543 PK04_093229 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L14 compound treatment 0.0078 0.00902 0.35 0.0098 0.0099 0.41 0.5353 0.9974 3187464 PK04_093230 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L15 mock treatment 0.0098 0.011 0.43 0.0039 0.00394 0.16 0.4176 0.9106 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L16 mock treatment 0.0068 0.00802 0.31 0.0019 0.00194 0.08 0.277 0.8594 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L17 compound treatment 0.0218 0.023 0.9 0.0219 0.0219 0.9 1.2695 1.0 3068545 PK04_093231 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L18 compound treatment 0.0158 0.017 0.66 0.0039 0.00394 0.16 0.5839 0.8542 3187465 PK04_093232 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L19 compound treatment 0.0088 0.01 0.39 0.0129 0.0129 0.53 0.6506 0.9891 3187466 PK04_093233 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L20 compound treatment 0.0178 0.019 0.74 0.0109 0.0109 0.45 0.8418 0.9709 3068547 PK04_093234 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L21 compound treatment -0.0052 -0.00395 -0.15 9.0E-4 9.4E-4 0.04 -0.0817 -0.5144 3187467 PK04_093235 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L22 compound treatment 0.0198 0.021 0.82 0.0219 0.0219 0.9 1.2145 0.999 3068549 PK04_093236 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L23 mock treatment 0.0148 0.016 0.63 0.0099 0.00994 0.41 0.7301 0.9785 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 L24 mock treatment 0.0218 0.023 0.9 0.0149 0.0149 0.61 1.0667 0.9823 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M01 compound treatment 0.0178 0.0191 0.74 0.0138 0.0139 0.57 0.9264 0.9912 3187528 PK04_093237 COC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M02 compound treatment 0.0308 0.0321 1.25 0.0058 0.00585 0.24 1.0527 0.8277 3187529 PK04_093238 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M03 compound treatment 0.0178 0.019 0.74 0.0239 0.0239 0.98 1.2173 0.9906 3068551 PK04_093239 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M04 compound treatment 0.0168 0.018 0.7 0.0059 0.0059 0.24 0.6682 0.8986 3187530 PK04_093240 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M05 compound treatment 0.0188 0.02 0.78 0.0099 0.00994 0.41 0.8403 0.9539 3068553 PK04_093241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M06 compound treatment 0.0138 0.015 0.59 0.0188 0.0189 0.77 0.9622 0.9906 3187531 PK04_093242 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M07 compound treatment -0.0052 -0.00394 -0.15 0.0018 0.00185 0.08 -0.055 -0.3211 3187532 PK04_093243 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M08 compound treatment 0.0098 0.011 0.43 -1.0E-4 -6.09E-5 0.0 0.3026 0.703 3068555 PK04_093244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M09 mock treatment 0.0028 0.00405 0.16 0.0078 0.0079 0.32 0.3404 0.9453 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M10 mock treatment -0.0162 -0.015 -0.58 -0.0152 -0.0151 -0.62 -0.8495 -0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M11 compound treatment 0.0158 0.017 0.66 -0.0031 -0.00306 -0.13 0.381 0.5636 3187533 PK04_093245 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M12 compound treatment 0.0168 0.018 0.7 0.0019 0.00194 0.08 0.5527 0.7823 3187534 PK04_093246 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M13 mock treatment 0.0028 0.00402 0.16 0.0019 0.00194 0.08 0.1669 0.9507 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M14 mock treatment 0.0088 0.01 0.39 0.0149 0.0149 0.61 0.7078 0.9766 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M15 compound treatment 0.0118 0.013 0.51 0.0049 0.00494 0.2 0.5018 0.9189 3068558 PK04_093247 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M16 compound treatment 8.0E-4 0.00202 0.08 -0.0272 -0.0271 -1.11 -0.7298 -0.6554 3187535 PK04_093248 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M17 compound treatment 0.0028 0.00402 0.16 0.0118 0.0119 0.49 0.4555 0.8894 3068560 PK04_093249 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M18 compound treatment 0.0228 0.0241 0.94 0.0308 0.0309 1.26 1.5567 0.9891 3187536 PK04_093250 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M19 compound treatment 0.0078 0.00906 0.35 -0.0122 -0.0121 -0.5 -0.1013 -0.1664 3187537 PK04_093251 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M20 compound treatment -0.0032 -0.00198 -0.08 9.0E-4 9.4E-4 0.04 -0.0274 -0.3172 3068562 PK04_093252 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)N3CCOCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M21 compound treatment 0.0058 0.00702 0.27 9.0E-4 9.43E-4 0.04 0.2207 0.7991 3068586 PK04_093253 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M22 compound treatment -0.0012 5.71E-5 0.0 -0.0061 -0.00606 -0.25 -0.174 -0.7007 3187538 PK04_093254 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M23 compound treatment 0.0058 0.00706 0.27 -0.0031 -0.00306 -0.13 0.1058 0.3503 3068589 PK04_093255 COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 M24 compound treatment -0.0052 -0.00398 -0.16 -0.0041 -0.00406 -0.17 -0.2274 -0.9994 3187539 PK04_093256 NC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N01 compound treatment -0.0162 -0.015 -0.58 0.0039 0.00394 0.16 -0.2978 -0.4926 3187540 PK04_093257 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N02 compound treatment -0.0072 -0.00595 -0.23 -0.0051 -0.00506 -0.21 -0.3106 -0.9984 3187541 PK04_093258 CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N03 compound treatment 0.0068 0.00802 0.31 -0.0121 -0.0121 -0.5 -0.1297 -0.2213 3068594 PK04_093259 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(CC=C)C3=O)[C@@H](O2)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N04 compound treatment -0.0212 -0.02 -0.78 -0.0192 -0.0191 -0.78 -1.1033 -1.0 3187542 PK04_093260 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N05 compound treatment -0.0022 -9.81E-4 -0.04 -0.0031 -0.00306 -0.13 -0.1156 -0.8827 3068597 PK04_093261 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N06 compound treatment -0.0122 -0.011 -0.43 -0.0051 -0.00506 -0.21 -0.4491 -0.9446 3187543 PK04_093262 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N07 compound treatment -0.0192 -0.018 -0.7 -0.0071 -0.00706 -0.29 -0.6993 -0.9238 3187544 PK04_093263 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(CC=C)C3=O)[C@H](O2)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N08 compound treatment -0.0312 -0.03 -1.17 -1.0E-4 -5.99E-5 0.0 -0.8269 -0.7086 3068600 PK04_093264 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N09 mock treatment -0.0482 -0.047 -1.83 -0.0321 -0.0321 -1.32 -2.2237 -0.9869 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N10 mock treatment -0.0042 -0.00298 -0.12 -0.0021 -0.00206 -0.08 -0.1419 -0.9877 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N11 compound treatment 0.0028 0.00402 0.16 -0.0112 -0.0111 -0.45 -0.211 -0.4386 3187545 PK04_093265 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N12 compound treatment 0.0088 0.0101 0.39 0.0028 0.00285 0.12 0.3597 0.8796 3187546 PK04_093266 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N13 mock treatment 0.0028 0.00402 0.16 -0.0142 -0.0141 -0.58 -0.298 -0.4977 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N14 mock treatment -2.0E-4 0.00102 0.04 -0.0202 -0.0201 -0.82 -0.5545 -0.6723 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N15 compound treatment -0.0142 -0.013 -0.5 0.0129 0.0129 0.53 0.017 0.0232 3068603 PK04_093267 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(CCS(=O)(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N16 compound treatment 0.0108 0.012 0.47 -2.0E-4 -1.5E-4 -0.01 0.3275 0.6978 3187547 PK04_093268 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N17 compound treatment -0.0182 -0.017 -0.66 -0.0171 -0.0171 -0.7 -0.9626 -0.9996 3068605 PK04_093269 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N18 compound treatment 8.0E-4 0.00202 0.08 -0.0041 -0.00406 -0.17 -0.062 -0.337 3187548 PK04_093270 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N19 compound treatment -0.0172 -0.016 -0.62 -0.0192 -0.0191 -0.78 -0.993 -0.9935 3068607 PK04_093271 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N20 compound treatment 8.0E-4 0.00202 0.08 0.0089 0.00894 0.37 0.3146 0.8397 3186297 PK04_093272 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N21 compound treatment 0.0078 0.00905 0.35 -0.0031 -0.00306 -0.13 0.1606 0.4292 3186298 PK04_093273 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(CC=C)C3=O)[C@@H](O2)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N22 compound treatment -0.0032 -0.00198 -0.08 -0.0091 -0.00906 -0.37 -0.3173 -0.8363 3068610 PK04_093274 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N23 compound treatment -0.0042 -0.00298 -0.12 -0.0101 -0.0101 -0.41 -0.3747 -0.8718 3068635 PK04_093275 CC(=O)N1Cc2ccccc2C[C@]3(N=C(O[C@@H]3c4ccccc4)c5ccc(OCCCO)cc5)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 N24 compound treatment -0.0042 -0.00294 -0.11 -0.0142 -0.0141 -0.58 -0.4899 -0.8311 3186299 PK04_093276 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O01 compound treatment -0.0122 -0.0109 -0.43 -0.0072 -0.00715 -0.29 -0.5087 -0.9833 3068638 PK04_093277 COC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O02 compound treatment 0.0168 0.018 0.7 0.0118 0.0119 0.49 0.8418 0.984 3186300 PK04_093278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O03 compound treatment 0.0158 0.0171 0.66 -1.0E-4 -5.99E-5 0.0 0.4682 0.7045 3068640 PK04_093279 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O04 compound treatment 0.0088 0.01 0.39 0.0089 0.00894 0.37 0.5359 0.9995 3186301 PK04_093280 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O05 compound treatment 0.0238 0.025 0.98 0.0098 0.00989 0.41 0.9768 0.9243 3068642 PK04_093281 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O06 compound treatment 0.0078 0.00905 0.35 0.0069 0.00694 0.28 0.4504 0.9943 3186302 PK04_093282 COCCCNC(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O07 compound treatment -0.0072 -0.00598 -0.23 0.0128 0.0129 0.53 0.2089 0.3616 3186303 PK04_093283 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O08 compound treatment 0.0128 0.0141 0.55 -0.0041 -0.00406 -0.17 0.2696 0.471 3068645 PK04_093284 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O09 compound treatment 0.0108 0.012 0.47 0.0109 0.0109 0.45 0.6478 0.9997 3186304 PK04_093285 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O10 compound treatment -0.0032 -0.00198 -0.08 -0.0101 -0.0101 -0.41 -0.3461 -0.8252 3186305 PK04_093286 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O11 mock treatment -0.0022 -9.81E-4 -0.04 -0.0071 -0.00706 -0.29 -0.2317 -0.7936 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O12 mock treatment 8.0E-4 0.00202 0.08 -0.0202 -0.0201 -0.82 -0.5269 -0.6368 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O13 compound treatment 0.0018 0.00302 0.12 0.0079 0.00794 0.33 0.3131 0.9055 3068648 PK04_093287 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O14 compound treatment 0.0028 0.00402 0.16 0.0118 0.0119 0.49 0.4556 0.8895 3186306 PK04_093288 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O15 compound treatment 0.0288 0.03 1.17 0.0099 0.00994 0.41 1.1158 0.9002 3068650 PK04_093289 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O16 compound treatment 0.0118 0.013 0.51 0.0238 0.0239 0.98 1.0506 0.9536 3186307 PK04_093290 CN(C)C(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O17 compound treatment -0.0032 -0.00197 -0.08 0.0029 0.00294 0.12 0.0308 0.2158 3186308 PK04_093291 COC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O18 compound treatment 0.0238 0.025 0.98 0.0068 0.00685 0.28 0.8885 0.875 3068652 PK04_093292 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O19 compound treatment 0.0178 0.019 0.74 0.0289 0.0289 1.18 1.3622 0.9746 3186309 PK04_093293 COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O20 compound treatment 0.0078 0.00905 0.35 0.0059 0.0059 0.24 0.4202 0.9831 3068654 PK04_093294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O21 compound treatment 0.0078 0.00906 0.35 -0.0111 -0.0111 -0.45 -0.071 -0.1236 3186310 PK04_093295 COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O22 compound treatment 0.0188 0.02 0.78 0.0108 0.0109 0.45 0.868 0.9648 3186311 PK04_093296 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O23 compound treatment 0.0218 0.023 0.9 -0.0062 -0.0061 -0.25 0.4582 0.4916 3068656 PK04_093297 COC(=O)[C@@H]1N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 O24 compound treatment 0.0018 0.00306 0.12 -0.0132 -0.0131 -0.54 -0.2968 -0.5378 3186312 PK04_093298 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P01 compound treatment -0.0372 -0.036 -1.4 -0.0282 -0.0281 -1.15 -1.8047 -0.9953 3186313 PK04_093299 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(CCS(=O)(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P02 compound treatment -0.0102 -0.00895 -0.35 -0.0081 -0.0081 -0.33 -0.4814 -0.9997 3186314 PK04_093300 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P03 compound treatment -0.0152 -0.014 -0.54 0.0049 0.0049 0.2 -0.2423 -0.4182 3067960 PK04_093301 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P04 compound treatment -0.0112 -0.00995 -0.39 -0.0192 -0.0191 -0.78 -0.8277 -0.9475 3186315 PK04_093302 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P05 compound treatment -0.0132 -0.012 -0.47 -0.0292 -0.0291 -1.19 -1.1735 -0.9162 3186316 PK04_093303 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4N(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P06 compound treatment -0.0032 -0.00198 -0.08 -0.0222 -0.0221 -0.91 -0.695 -0.7646 3067963 PK04_093304 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P07 compound treatment -0.0302 -0.029 -1.13 -0.0242 -0.0241 -0.99 -1.4959 -0.9978 3186317 PK04_093305 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P08 compound treatment -0.0232 -0.022 -0.86 -0.0111 -0.0111 -0.45 -0.9253 -0.9559 3186362 PK04_093306 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P09 compound treatment -0.0212 -0.02 -0.78 -0.0321 -0.0321 -1.32 -1.4799 -0.9685 3067965 PK04_093307 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(CCS(=O)(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P10 compound treatment -0.0242 -0.023 -0.89 -0.0352 -0.0351 -1.44 -1.6495 -0.9739 3186363 PK04_093308 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P11 mock treatment -0.0372 -0.036 -1.4 -0.0471 -0.0471 -1.93 -2.3553 -0.9876 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P12 mock treatment -0.0292 -0.028 -1.09 -0.0222 -0.0221 -0.91 -1.4105 -0.9958 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P13 compound treatment -0.0162 -0.015 -0.58 -0.0382 -0.0381 -1.56 -1.516 -0.9097 3186364 PK04_093309 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(CCS(=O)(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P14 compound treatment -0.0072 -0.00598 -0.23 -0.0251 -0.0251 -1.03 -0.8921 -0.8459 3067968 PK04_093310 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P15 compound treatment -0.0212 -0.02 -0.78 -0.0072 -0.00711 -0.29 -0.7557 -0.9103 3186365 PK04_093311 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P16 compound treatment -0.0092 -0.00797 -0.31 -0.0172 -0.0171 -0.7 -0.7155 -0.9329 3186366 PK04_093312 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P17 compound treatment -0.0122 -0.011 -0.43 -0.0321 -0.0321 -1.32 -1.2328 -0.8912 3067970 PK04_093313 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(CC=C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P18 compound treatment -0.0332 -0.032 -1.24 -0.0071 -0.00706 -0.29 -1.085 -0.8489 3186367 PK04_093314 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P19 compound treatment -0.0202 -0.019 -0.74 -0.0202 -0.0201 -0.82 -1.1046 -0.9985 3067972 PK04_093315 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(CC=C)C3=O)[C@H](O2)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P20 compound treatment -0.0112 -0.00998 -0.39 -0.0121 -0.0121 -0.49 -0.6245 -0.993 3186368 PK04_093316 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P21 compound treatment -0.0182 -0.017 -0.66 -0.0132 -0.0131 -0.54 -0.8466 -0.9947 3067974 PK04_093317 CC(=O)N1Cc2ccccc2C[C@@]3(N=C(O[C@H]3c4ccccc4)c5ccc(OCCCO)cc5)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P22 compound treatment -0.0042 -0.00294 -0.11 -2.0E-4 -1.5E-4 -0.01 -0.0854 -0.7439 3186369 PK04_093318 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P23 compound treatment -0.0192 -0.018 -0.7 8.0E-4 8.9E-4 0.04 -0.4688 -0.6693 3067976 PK04_093319 CC(=O)N1Cc2ccccc2C[C@@]3(COC(=N3)c4ccc(OCCCO)cc4)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2093 P24 compound treatment 0.0078 0.00906 0.35 -0.0212 -0.0211 -0.87 -0.3622 -0.3877 3186370 PK04_093320 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A01 compound treatment 0.0323 0.0324 1.26 0.0143 0.0144 0.59 1.3107 0.9401 3186371 PK04_094001 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A02 compound treatment 0.0243 0.0244 0.95 0.0052 0.00537 0.22 0.8281 0.8483 3067979 PK04_094002 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A03 compound treatment -0.0087 -0.00856 -0.33 0.0132 0.0134 0.55 0.1516 0.2364 3068002 PK04_094003 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A04 compound treatment -0.0117 -0.0116 -0.45 -0.0028 -0.00263 -0.11 -0.3955 -0.8521 3186372 PK04_094004 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A05 compound treatment -0.0037 -0.00356 -0.14 -0.0078 -0.00763 -0.31 -0.3191 -0.933 3068007 PK04_094005 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A06 compound treatment -0.0107 -0.0106 -0.41 -0.0027 -0.00258 -0.11 -0.3665 -0.8606 3186373 PK04_094006 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A07 compound treatment -0.0177 -0.0176 -0.69 0.0092 0.00942 0.39 -0.2116 -0.2691 3186374 PK04_094007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A08 compound treatment -0.0087 -0.00859 -0.33 -0.0057 -0.00558 -0.23 -0.3984 -0.9828 3068010 PK04_094008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A09 compound treatment 0.0073 0.00744 0.29 -0.0247 -0.0246 -1.01 -0.5072 -0.4839 3186375 PK04_094009 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A10 compound treatment 0.0153 0.0155 0.6 0.0092 0.00942 0.39 0.6993 0.9768 3068013 PK04_094010 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A11 compound treatment 0.0033 0.00344 0.13 0.0092 0.00937 0.38 0.3663 0.9007 3186376 PK04_094011 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A12 compound treatment 0.0153 0.0154 0.6 0.0133 0.0134 0.55 0.8134 0.999 3186377 PK04_094012 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A13 mock treatment -0.0027 -0.00256 -0.1 -0.0097 -0.00958 -0.39 -0.348 -0.8594 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A14 mock treatment -0.0017 -0.00156 -0.06 -0.0177 -0.0176 -0.72 -0.5524 -0.764 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A15 compound treatment 0.0113 0.0114 0.45 0.0092 0.00937 0.38 0.5867 0.9972 3068016 PK04_094013 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A16 compound treatment 0.0113 0.0115 0.45 0.0033 0.00347 0.14 0.4167 0.8881 3186378 PK04_094014 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A17 compound treatment 0.0013 0.00144 0.06 0.0092 0.00942 0.39 0.3126 0.8016 3068018 PK04_094015 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A18 compound treatment -7.0E-4 -5.56E-4 -0.02 2.0E-4 3.68E-4 0.02 -0.0047 -0.1767 3186379 PK04_094016 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A19 compound treatment 0.0033 0.00344 0.13 0.0032 0.00337 0.14 0.1924 0.9999 3186380 PK04_094017 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A20 compound treatment -0.0137 -0.0136 -0.53 -0.0097 -0.00958 -0.39 -0.6519 -0.9892 3068020 PK04_094018 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A21 compound treatment -7.0E-4 -5.58E-4 -0.02 -0.0217 -0.0216 -0.88 -0.6408 -0.7243 3186381 PK04_094019 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A22 compound treatment -0.0357 -0.0355 -1.38 -0.0318 -0.0316 -1.29 -1.894 -0.9994 3186437 PK04_094020 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A23 compound treatment 0.0013 0.00141 0.06 -0.0078 -0.00763 -0.31 -0.1823 -0.5739 3068021 PK04_094021 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 A24 compound treatment -0.0177 -0.0176 -0.69 -0.0187 -0.0186 -0.76 -1.023 -0.9986 3186438 PK04_094022 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B01 compound treatment 0.0063 0.00644 0.25 0.0112 0.0114 0.47 0.5069 0.9579 3186439 PK04_094023 CCCN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B02 compound treatment 0.0133 0.0134 0.52 0.0222 0.0224 0.92 1.0191 0.9642 3089331 PK04_094024 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B03 compound treatment 0.0163 0.0164 0.64 0.0243 0.0244 1.0 1.1598 0.9766 3068022 PK04_094025 CCCN1C(=O)[C@]2(Cc3ccccc13)N=C(O[C@@H]2c4ccccc4)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B04 compound treatment -0.0127 -0.0126 -0.49 0.0183 0.0185 0.76 0.1892 0.2099 3089332 PK04_094026 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B05 compound treatment 0.0243 0.0244 0.95 0.0463 0.0464 1.9 2.0178 0.9487 3186440 PK04_094027 CCCN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B06 compound treatment -0.0097 -0.00956 -0.37 -0.0118 -0.0116 -0.47 -0.5989 -0.9928 3000708 PK04_094028 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B07 compound treatment 0.0053 0.00544 0.21 0.0133 0.0134 0.55 0.5388 0.9142 3068023 PK04_094029 CN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B08 compound treatment 0.0163 0.0164 0.64 0.0223 0.0225 0.92 1.104 0.9843 3089333 PK04_094030 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B09 compound treatment 0.0143 0.0144 0.56 0.0062 0.00637 0.26 0.5816 0.9393 3186441 PK04_094031 CN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B10 compound treatment 0.0153 0.0154 0.6 0.0113 0.0114 0.47 0.7555 0.9924 3089654 PK04_094032 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B11 compound treatment 0.0183 0.0184 0.72 0.0163 0.0164 0.67 0.983 0.9995 3186442 PK04_094033 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B12 compound treatment 0.0033 0.00344 0.13 -0.0027 -0.00253 -0.1 0.0214 0.1265 3089334 PK04_094034 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B13 mock treatment 0.0213 0.0214 0.83 0.0123 0.0124 0.51 0.9499 0.9719 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B14 mock treatment 0.0023 0.00244 0.1 0.0173 0.0174 0.71 0.5721 0.7943 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B15 compound treatment 0.0123 0.0124 0.48 0.0183 0.0184 0.75 0.8758 0.9768 3068024 PK04_094035 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B16 compound treatment -0.0057 -0.00556 -0.22 0.0033 0.00347 0.14 -0.0526 -0.2032 3000709 PK04_094036 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B17 compound treatment 0.0163 0.0164 0.64 0.0273 0.0274 1.12 1.2466 0.9643 3186443 PK04_094037 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B18 compound treatment 0.0213 0.0214 0.84 0.0193 0.0195 0.8 1.1548 0.9997 3089363 PK04_094038 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B19 compound treatment 0.0203 0.0204 0.8 0.0173 0.0174 0.71 1.0671 0.9985 3068025 PK04_094039 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B20 compound treatment 0.0013 0.00144 0.06 -0.0037 -0.00353 -0.14 -0.0626 -0.4034 3089652 PK04_094040 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B21 compound treatment 0.0373 0.0374 1.46 0.0253 0.0254 1.04 1.7672 0.9864 3186444 PK04_094041 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B22 compound treatment -0.0157 -0.0156 -0.61 -0.0198 -0.0196 -0.8 -0.9961 -0.9904 3089653 PK04_094042 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B23 compound treatment 0.0183 0.0184 0.72 0.0263 0.0264 1.08 1.2729 0.98 3186445 PK04_094043 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 B24 compound treatment -0.0107 -0.0106 -0.41 -0.0067 -0.00653 -0.27 -0.4802 -0.9783 3089657 PK04_094044 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C01 compound treatment 0.0043 0.00444 0.17 0.0062 0.00637 0.26 0.307 0.98 3068026 PK04_094045 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C02 compound treatment -0.0117 -0.0116 -0.45 0.0072 0.00737 0.3 -0.1057 -0.1947 3068051 PK04_094046 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C03 compound treatment -0.0277 -0.0275 -1.07 0.0052 0.00537 0.22 -0.6028 -0.5506 3068052 PK04_094047 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C04 compound treatment -0.0167 -0.0166 -0.65 0.0082 0.00837 0.34 -0.2145 -0.2932 3068053 PK04_094048 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCOCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C05 compound treatment -0.0097 -0.00959 -0.37 0.0203 0.0204 0.84 0.3275 0.3574 3068054 PK04_094049 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C06 compound treatment 0.0053 0.00541 0.21 0.0022 0.00237 0.1 0.2178 0.9382 3186446 PK04_094050 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C07 compound treatment 0.0023 0.00244 0.1 -0.0048 -0.00463 -0.19 -0.0668 -0.3147 3068055 PK04_094051 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C08 compound treatment 0.0043 0.00444 0.17 0.0042 0.00437 0.18 0.249 0.9999 3186447 PK04_094052 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C09 compound treatment 0.0103 0.0104 0.41 0.0103 0.0105 0.43 0.5902 0.9996 3068056 PK04_094053 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C10 compound treatment 0.0153 0.0154 0.6 -0.0037 -0.00358 -0.15 0.3216 0.5193 3186448 PK04_094054 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C11 mock treatment -0.0057 -0.00556 -0.22 0.0052 0.00537 0.22 0.0024 0.0079 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C12 mock treatment -0.0027 -0.00256 -0.1 0.0022 0.00237 0.1 -0.0017 -0.0121 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C13 compound treatment 0.0033 0.00344 0.13 -0.0028 -0.00263 -0.11 0.0187 0.1088 3186449 PK04_094055 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C14 compound treatment 0.0173 0.0174 0.68 0.0022 0.00237 0.1 0.5483 0.8001 3068057 PK04_094056 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C15 mock treatment 0.0053 0.00544 0.21 -0.0098 -0.00963 -0.39 -0.1292 -0.2883 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C16 mock treatment 0.0053 0.00544 0.21 0.0092 0.00937 0.38 0.4215 0.9608 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C17 compound treatment 0.0173 0.0174 0.68 0.0132 0.0134 0.55 0.8671 0.9944 3186450 PK04_094057 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C18 compound treatment 0.0033 0.00344 0.13 0.0042 0.00437 0.18 0.2215 0.9898 3186451 PK04_094058 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C19 compound treatment 0.0173 0.0174 0.68 -0.0048 -0.00463 -0.19 0.3455 0.4905 3068058 PK04_094059 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C20 compound treatment 0.0223 0.0224 0.87 0.0092 0.00937 0.38 0.8889 0.9319 3186452 PK04_094060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C21 compound treatment 0.0223 0.0224 0.87 0.0073 0.00742 0.3 0.8324 0.9003 3068059 PK04_094061 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C22 compound treatment 0.0043 0.00444 0.17 0.0032 0.00337 0.14 0.22 0.9937 3186453 PK04_094062 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C23 compound treatment -0.0127 -0.0126 -0.49 -0.0067 -0.00658 -0.27 -0.5375 -0.9603 3186454 PK04_094063 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 C24 compound treatment -0.0057 -0.00556 -0.22 0.0012 0.00137 0.06 -0.1135 -0.5074 3068060 PK04_094064 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D01 compound treatment -0.0097 -0.00956 -0.37 -8.0E-4 -6.28E-4 -0.03 -0.2815 -0.7542 3186455 PK04_094065 CN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D02 compound treatment -0.0017 -0.00156 -0.06 0.0013 0.00147 0.06 -4.0E-4 -0.0046 3000713 PK04_094066 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D03 compound treatment 0.0043 0.00444 0.17 -0.0057 -0.00558 -0.23 -0.0393 -0.1371 3186456 PK04_094067 CCCN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D04 compound treatment 0.0103 0.0104 0.41 -0.0177 -0.0176 -0.72 -0.2218 -0.268 3089658 PK04_094068 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D05 compound treatment -0.0027 -0.00255 -0.1 -0.0088 -0.00858 -0.35 -0.319 -0.8728 3068061 PK04_094069 CCCN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D06 compound treatment -0.0147 -0.0145 -0.57 -0.0017 -0.00153 -0.06 -0.4446 -0.7808 3089659 PK04_094070 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D07 compound treatment 3.0E-4 4.49E-4 0.02 2.0E-4 3.68E-4 0.02 0.023 0.9972 3186457 PK04_094071 CCCN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D08 compound treatment 0.0073 0.00744 0.29 -0.0047 -0.00453 -0.19 0.0737 0.214 3089664 PK04_094072 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D09 compound treatment -0.0147 -0.0146 -0.57 -0.0048 -0.00463 -0.19 -0.5361 -0.8947 3068062 PK04_094073 CCCN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D10 compound treatment -0.0057 -0.00556 -0.22 -0.0158 -0.0156 -0.64 -0.6047 -0.8967 3000714 PK04_094074 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D11 mock treatment 0.0083 0.00844 0.33 0.0153 0.0154 0.63 0.6793 0.9537 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D12 mock treatment 3.0E-4 4.42E-4 0.02 -0.0118 -0.0116 -0.48 -0.3249 -0.6811 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D13 compound treatment 0.0023 0.00244 0.1 0.0103 0.0104 0.43 0.3692 0.844 3186504 PK04_094075 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D14 compound treatment 0.0103 0.0104 0.41 -0.0167 -0.0165 -0.68 -0.1914 -0.2422 3089660 PK04_094076 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D15 mock treatment -0.0077 -0.00759 -0.3 -0.0107 -0.0106 -0.43 -0.5157 -0.9826 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D16 mock treatment 0.0043 0.00441 0.17 -0.0048 -0.00463 -0.19 -0.0127 -0.0495 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D17 compound treatment 0.0163 0.0164 0.64 -0.0048 -0.00463 -0.19 0.3179 0.4766 3186505 PK04_094077 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D18 compound treatment -0.0017 -0.00156 -0.06 -0.0037 -0.00353 -0.14 -0.1453 -0.9255 3000715 PK04_094078 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D19 compound treatment 0.0063 0.00644 0.25 -0.0058 -0.00563 -0.23 0.0144 0.0422 3068063 PK04_094079 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D20 compound treatment -0.0157 -0.0156 -0.61 -0.0117 -0.0115 -0.47 -0.7628 -0.9924 3089662 PK04_094080 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D21 compound treatment 0.0093 0.00944 0.37 -0.0147 -0.0146 -0.6 -0.1624 -0.2314 3186506 PK04_094081 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D22 compound treatment -0.0057 -0.00556 -0.22 -0.0027 -0.00253 -0.1 -0.2265 -0.9433 3000716 PK04_094082 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D23 compound treatment 0.0163 0.0164 0.64 2.0E-4 3.68E-4 0.02 0.4629 0.7236 3068064 PK04_094083 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 D24 compound treatment -0.0017 -0.00156 -0.06 -0.0177 -0.0175 -0.72 -0.551 -0.7641 3000811 PK04_094084 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E01 mock treatment 0.0113 0.0114 0.44 -0.0428 -0.0426 -1.75 -0.9195 -0.5106 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E02 mock treatment 0.0083 0.00844 0.33 0.0143 0.0144 0.59 0.6504 0.9618 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E03 compound treatment 0.0073 0.00744 0.29 0.0123 0.0124 0.51 0.5649 0.9644 3186507 PK04_094085 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E04 compound treatment 0.0163 0.0164 0.64 0.0262 0.0264 1.08 1.2177 0.9685 3186508 PK04_094086 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E05 compound treatment 0.0083 0.00844 0.33 0.0113 0.0114 0.47 0.5634 0.9851 3068065 PK04_094087 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E06 compound treatment 0.0213 0.0214 0.83 0.0333 0.0335 1.37 1.5597 0.9716 3186509 PK04_094088 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E07 compound treatment 0.0153 0.0154 0.6 0.0193 0.0195 0.8 0.9887 0.9902 3068066 PK04_094089 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E08 compound treatment 0.0223 0.0224 0.87 0.0343 0.0344 1.41 1.6148 0.9734 3186510 PK04_094090 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E09 mock treatment 0.0113 0.0114 0.44 0.0222 0.0224 0.92 0.964 0.9445 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E10 mock treatment 0.0213 0.0214 0.83 0.0233 0.0234 0.96 1.2686 0.9976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E11 compound treatment 0.0193 0.0194 0.76 2.0E-4 3.68E-4 0.02 0.5454 0.7211 3186511 PK04_094091 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E12 compound treatment -0.0037 -0.00356 -0.14 0.0113 0.0114 0.47 0.2328 0.4771 3068067 PK04_094092 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E13 compound treatment 0.0163 0.0164 0.64 0.0182 0.0184 0.75 0.9859 0.9966 3186512 PK04_094093 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E14 compound treatment 0.0153 0.0154 0.6 0.0082 0.00837 0.34 0.6671 0.9647 3068068 PK04_094094 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E15 compound treatment 0.0223 0.0224 0.87 0.0343 0.0344 1.41 1.6148 0.9734 3186513 PK04_094095 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E16 compound treatment 0.0113 0.0114 0.44 0.0113 0.0114 0.47 0.6453 0.9997 3068069 PK04_094096 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E17 mock treatment 0.0183 0.0184 0.72 0.0062 0.00637 0.26 0.6926 0.906 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E18 mock treatment 0.0193 0.0194 0.76 0.0182 0.0184 0.75 1.0685 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E19 compound treatment 0.0223 0.0224 0.87 0.0132 0.0134 0.55 1.0049 0.9748 3186514 PK04_094097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E20 compound treatment 0.0373 0.0374 1.46 0.0262 0.0264 1.08 1.7962 0.9893 3186515 PK04_094098 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E21 compound treatment 0.0243 0.0244 0.95 0.0222 0.0224 0.92 1.3221 0.9998 3068070 PK04_094099 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E22 compound treatment 0.0333 0.0334 1.3 0.0313 0.0314 1.29 1.8317 1.0 3186516 PK04_094100 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E23 compound treatment 0.0123 0.0124 0.48 0.0123 0.0124 0.51 0.702 0.9997 3068071 PK04_094101 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 E24 compound treatment 0.0323 0.0324 1.26 0.0163 0.0164 0.67 1.3695 0.9564 3186517 PK04_094102 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F01 mock treatment -0.0057 -0.00556 -0.22 -8.0E-4 -6.32E-4 -0.03 -0.1714 -0.7861 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F02 mock treatment -0.0147 -0.0146 -0.57 -0.0018 -0.00163 -0.07 -0.4492 -0.7849 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F03 compound treatment 0.0063 0.00644 0.25 0.0082 0.00837 0.34 0.42 0.9883 3068072 PK04_094103 CN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F04 compound treatment 0.0113 0.0114 0.44 -0.0057 -0.00558 -0.23 0.1526 0.3052 3000813 PK04_094104 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]2OC(=O)Nc5ccccc5c6ccccc6)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F05 compound treatment -0.0027 -0.00256 -0.1 0.0222 0.0224 0.92 0.5791 0.6267 3186518 PK04_094105 CN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F06 compound treatment 0.0123 0.0124 0.48 0.0153 0.0155 0.63 0.791 0.9912 3000814 PK04_094106 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F07 compound treatment 0.0063 0.00644 0.25 0.0082 0.00837 0.34 0.4201 0.9882 3186519 PK04_094107 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F08 compound treatment 0.0223 0.0224 0.87 0.0203 0.0205 0.84 1.2114 0.9998 3089667 PK04_094108 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F09 mock treatment 0.0153 0.0154 0.6 -0.0127 -0.0126 -0.52 0.06 0.0758 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F10 mock treatment -0.0027 -0.00256 -0.1 0.0173 0.0174 0.71 0.4343 0.6026 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F11 compound treatment 0.0093 0.00944 0.37 2.0E-4 3.68E-4 0.02 0.2708 0.7354 3068073 PK04_094109 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F12 compound treatment -0.0027 -0.00256 -0.1 0.0073 0.00747 0.31 0.1459 0.4534 3089654 PK04_094110 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F13 compound treatment 0.0043 0.00444 0.17 0.0273 0.0274 1.12 0.9169 0.8065 3186520 PK04_094111 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F14 compound treatment 0.0093 0.00944 0.37 -0.0137 -0.0135 -0.55 -0.132 -0.1984 3089708 PK04_094112 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F15 compound treatment 0.0313 0.0314 1.22 0.0022 0.00237 0.1 0.934 0.7608 3186521 PK04_094113 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F16 compound treatment 0.0253 0.0254 0.99 0.0183 0.0185 0.76 1.2361 0.9911 3000817 PK04_094114 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F17 mock treatment 0.0103 0.0104 0.41 0.0062 0.00637 0.26 0.4714 0.9772 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F18 mock treatment 0.0243 0.0244 0.95 0.0022 0.00237 0.1 0.7411 0.7752 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F19 compound treatment 0.0153 0.0154 0.6 0.0193 0.0194 0.8 0.9873 0.9904 3068074 PK04_094115 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F20 compound treatment 0.0053 0.00544 0.21 0.0173 0.0175 0.72 0.6561 0.8788 3089709 PK04_094116 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F21 compound treatment 0.0193 0.0194 0.76 0.0062 0.00637 0.26 0.7194 0.8991 3186522 PK04_094117 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F22 compound treatment 0.0013 0.00144 0.06 -0.0097 -0.00953 -0.39 -0.2365 -0.5992 3000821 PK04_094118 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F23 compound treatment 0.0043 0.00445 0.17 0.0203 0.0204 0.84 0.7142 0.8358 3186523 PK04_094119 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 F24 compound treatment 0.0023 0.00244 0.1 -0.0138 -0.0136 -0.56 -0.3263 -0.5779 3089711 PK04_094120 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G01 compound treatment -0.0077 -0.00759 -0.3 0.0162 0.0164 0.67 0.2653 0.3619 3068075 PK04_094121 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G02 compound treatment -0.0027 -0.00256 -0.1 -0.0038 -0.00363 -0.15 -0.1757 -0.9809 3186524 PK04_094122 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G03 mock treatment -0.0037 -0.00356 -0.14 -0.0098 -0.00958 -0.39 -0.3757 -0.9022 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G04 mock treatment 3.0E-4 4.42E-4 0.02 0.0072 0.00737 0.3 0.2258 0.7462 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G05 compound treatment 0.0133 0.0134 0.52 0.0032 0.00337 0.14 0.4672 0.8643 3186575 PK04_094123 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G06 compound treatment 3.0E-4 4.42E-4 0.02 -0.0018 -0.00163 -0.07 -0.0351 -0.5085 3186576 PK04_094124 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G07 compound treatment -7.0E-4 -5.58E-4 -0.02 0.0133 0.0134 0.55 0.3734 0.6786 3068110 PK04_094125 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G08 compound treatment -0.0077 -0.00756 -0.29 -0.0038 -0.00363 -0.15 -0.3134 -0.95 3186577 PK04_094126 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G09 compound treatment 0.0103 0.0104 0.41 0.0073 0.00742 0.3 0.5018 0.9899 3068111 PK04_094127 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G10 compound treatment 0.0063 0.00644 0.25 -0.0018 -0.00163 -0.07 0.1303 0.5017 3186578 PK04_094128 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G11 compound treatment -0.0107 -0.0106 -0.41 -0.0018 -0.00163 -0.07 -0.3388 -0.811 3186579 PK04_094129 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G12 compound treatment -0.0117 -0.0116 -0.45 0.0053 0.00542 0.22 -0.1622 -0.3225 3068112 PK04_094130 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G13 compound treatment 0.0023 0.00244 0.1 0.0123 0.0124 0.51 0.4272 0.8251 3186580 PK04_094131 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCCN3CCOCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G14 compound treatment 0.0123 0.0124 0.48 0.0032 0.00337 0.14 0.4395 0.874 3186581 PK04_094132 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G15 compound treatment 0.0193 0.0194 0.76 0.0163 0.0164 0.67 1.0105 0.9983 3068113 PK04_094133 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G16 compound treatment -0.0077 -0.00756 -0.29 0.0032 0.00337 0.14 -0.1106 -0.3401 3186582 PK04_094134 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G17 compound treatment 0.0073 0.00744 0.29 0.0103 0.0104 0.43 0.507 0.9823 3186583 PK04_094135 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G18 compound treatment 0.0093 0.00944 0.37 0.0072 0.00737 0.3 0.4737 0.9952 3068114 PK04_094136 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G19 mock treatment -0.0037 -0.00356 -0.14 0.0052 0.00537 0.22 0.0577 0.2218 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G20 mock treatment 3.0E-4 4.42E-4 0.02 -0.0187 -0.0186 -0.76 -0.5263 -0.6909 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G21 compound treatment -0.0117 -0.0116 -0.45 2.0E-4 3.68E-4 0.02 -0.3086 -0.6831 3186584 PK04_094137 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G22 compound treatment -0.0027 -0.00259 -0.1 -0.0077 -0.00758 -0.31 -0.291 -0.8908 3068115 PK04_094138 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G23 compound treatment 3.0E-4 4.42E-4 0.02 -0.0037 -0.00358 -0.15 -0.0916 -0.6199 3186585 PK04_094139 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 G24 compound treatment -0.0187 -0.0186 -0.72 -0.0267 -0.0266 -1.09 -1.2824 -0.9803 3186586 PK04_094140 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCc3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H01 compound treatment -0.0147 -0.0146 -0.57 -8.0E-4 -6.27E-4 -0.03 -0.4201 -0.7383 3068116 PK04_094141 CCCN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H02 compound treatment 0.0163 0.0164 0.64 -0.0088 -0.00863 -0.35 0.202 0.2764 3000914 PK04_094142 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H03 mock treatment -0.0147 -0.0146 -0.57 -0.0037 -0.00358 -0.15 -0.5057 -0.8615 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H04 mock treatment -0.0057 -0.00556 -0.22 -0.0088 -0.00858 -0.35 -0.4018 -0.9729 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H05 compound treatment -0.0027 -0.00256 -0.1 -0.0028 -0.00263 -0.11 -0.1466 -0.9992 3068117 PK04_094143 CCCN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H06 compound treatment -0.0087 -0.00856 -0.33 0.0103 0.0104 0.43 0.0661 0.1221 3089723 PK04_094144 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H07 compound treatment 0.0093 0.00944 0.37 2.0E-4 3.68E-4 0.02 0.2708 0.7354 3186589 PK04_094145 CN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H08 compound treatment 0.0083 0.00844 0.33 -0.0038 -0.00363 -0.15 0.1273 0.3527 3089724 PK04_094146 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H09 compound treatment -0.0017 -0.00156 -0.06 0.0083 0.00842 0.34 0.201 0.5739 3186590 PK04_094147 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(C(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H10 compound treatment 0.0403 0.0404 1.58 0.0163 0.0164 0.67 1.5899 0.928 3000917 PK04_094148 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H11 compound treatment -0.0047 -0.00456 -0.18 -0.0168 -0.0166 -0.68 -0.6061 -0.8629 3068119 PK04_094149 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H12 compound treatment -0.0107 -0.0105 -0.41 -0.0107 -0.0106 -0.43 -0.5967 -0.9996 3089768 PK04_094150 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H13 compound treatment -0.0077 -0.00756 -0.29 0.0052 0.00537 0.22 -0.0526 -0.1432 3186593 PK04_094151 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H14 compound treatment -0.0127 -0.0125 -0.49 -0.0158 -0.0156 -0.64 -0.7981 -0.991 3089763 PK04_094152 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H15 compound treatment 0.0133 0.0134 0.52 0.0052 0.00537 0.22 0.525 0.9261 3186594 PK04_094153 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H16 compound treatment 3.0E-4 4.42E-4 0.02 0.0032 0.00342 0.14 0.1112 0.7881 3089764 PK04_094154 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H17 compound treatment 0.0013 0.00145 0.06 0.0182 0.0184 0.75 0.5736 0.7579 3068121 PK04_094155 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(C(=O)c5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H18 compound treatment 3.0E-4 4.42E-4 0.02 -0.0027 -0.00253 -0.1 -0.0612 -0.5818 3000919 PK04_094156 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4)[C@@H]1OC(=O)Nc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H19 mock treatment -0.0057 -0.00559 -0.22 -0.0068 -0.00663 -0.27 -0.3461 -0.994 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H20 mock treatment -0.0087 -0.00859 -0.33 -0.0078 -0.00763 -0.31 -0.4578 -0.9994 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H21 compound treatment -0.0067 -0.00659 -0.26 -0.0048 -0.00463 -0.19 -0.3157 -0.989 3068122 PK04_094157 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H22 compound treatment -0.0087 -0.00853 -0.33 -0.0138 -0.0136 -0.56 -0.6285 -0.9696 3089766 PK04_094158 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4)[C@@H]1OC(=O)Nc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H23 compound treatment 0.0173 0.0174 0.68 -0.0057 -0.00558 -0.23 0.318 0.4441 3068123 PK04_094159 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 H24 compound treatment -0.0067 -0.00656 -0.26 3.0E-4 4.68E-4 0.02 -0.1671 -0.6522 3089769 PK04_094160 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I01 compound treatment -0.0017 -0.00156 -0.06 0.0133 0.0134 0.55 0.3461 0.6254 3186651 PK04_094161 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I02 compound treatment -0.0017 -0.00156 -0.06 -0.0057 -0.00558 -0.23 -0.2047 -0.8648 3068124 PK04_094162 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I03 compound treatment -0.0097 -0.00956 -0.37 0.0063 0.00642 0.26 -0.0773 -0.1697 3186652 PK04_094163 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I04 compound treatment -0.0157 -0.0156 -0.61 -0.0077 -0.00758 -0.31 -0.6492 -0.9516 3068125 PK04_094164 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I05 mock treatment 0.0153 0.0154 0.6 2.0E-4 3.74E-4 0.02 0.4355 0.7249 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I06 mock treatment -0.0067 -0.00656 -0.26 -0.0078 -0.00763 -0.31 -0.4017 -0.995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I07 compound treatment 0.0063 0.00641 0.25 -8.0E-4 -6.27E-4 -0.03 0.1585 0.6311 3186653 PK04_094165 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I08 compound treatment -0.0227 -0.0226 -0.88 -0.0068 -0.00663 -0.27 -0.8145 -0.8843 3068126 PK04_094166 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I09 compound treatment -0.0077 -0.00756 -0.29 0.0123 0.0124 0.51 0.1516 0.2579 3186654 PK04_094167 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I10 compound treatment 0.0033 0.00344 0.13 2.0E-4 3.68E-4 0.02 0.1055 0.7816 3068572 PK04_094168 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I11 compound treatment 0.0263 0.0264 1.03 0.0053 0.00547 0.22 0.8869 0.8412 3186655 PK04_094169 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I12 compound treatment -0.0057 -0.00559 -0.22 0.0022 0.00237 0.1 -0.0853 -0.358 3186656 PK04_094170 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I13 compound treatment 0.0283 0.0284 1.11 0.0343 0.0344 1.41 1.7801 0.9928 3068573 PK04_094171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I14 compound treatment -0.0067 -0.00656 -0.26 -0.0088 -0.00863 -0.35 -0.4306 -0.9873 3186657 PK04_094172 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I15 compound treatment -0.0017 -0.00156 -0.06 -0.0127 -0.0126 -0.52 -0.4075 -0.7849 3068574 PK04_094173 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I16 compound treatment 3.0E-4 4.42E-4 0.02 -0.0098 -0.00958 -0.39 -0.2655 -0.6754 3186658 PK04_094174 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I17 compound treatment 0.0013 0.00144 0.06 0.0262 0.0264 1.08 0.8053 0.7428 3186659 PK04_094175 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I18 compound treatment -0.0037 -0.00356 -0.14 0.0133 0.0134 0.55 0.2908 0.5128 3068575 PK04_094176 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I19 compound treatment 0.0083 0.00844 0.33 -0.0147 -0.0146 -0.6 -0.1899 -0.2784 3186660 PK04_094177 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I20 compound treatment 0.0063 0.00644 0.25 0.0082 0.00837 0.34 0.42 0.9882 3068577 PK04_094178 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I21 mock treatment -0.0127 -0.0126 -0.49 0.0112 0.0114 0.47 -0.0174 -0.0257 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I22 mock treatment 0.0023 0.00244 0.1 -0.0018 -0.00163 -0.07 0.02 0.1721 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I23 compound treatment 0.0033 0.00344 0.13 0.0122 0.0124 0.51 0.4532 0.8645 3186661 PK04_094179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 I24 compound treatment -0.0077 -0.00759 -0.3 0.0032 0.00337 0.14 -0.1115 -0.3416 3186662 PK04_094180 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J01 compound treatment -0.0027 -0.00256 -0.1 0.0053 0.00542 0.22 0.0865 0.3555 3068611 PK04_094181 CN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J02 compound treatment -0.0097 -0.00953 -0.37 -0.0297 -0.0296 -1.21 -1.1197 -0.8832 3089770 PK04_094182 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J03 compound treatment -0.0237 -0.0236 -0.92 -0.0058 -0.00563 -0.23 -0.813 -0.8581 3068612 PK04_094183 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J04 compound treatment 0.0033 0.00344 0.13 0.0092 0.00942 0.39 0.3677 0.9 3001007 PK04_094184 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J05 mock treatment -0.0027 -0.00256 -0.1 -0.0138 -0.0136 -0.56 -0.4641 -0.8207 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J06 mock treatment -7.0E-4 -5.58E-4 -0.02 -0.0088 -0.00863 -0.35 -0.2654 -0.7492 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J07 compound treatment -0.0037 -0.00356 -0.14 0.0052 0.00537 0.22 0.0576 0.2216 3186665 PK04_094185 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J08 compound treatment 3.0E-4 4.42E-4 0.02 0.0073 0.00747 0.31 0.2286 0.7457 3089771 PK04_094186 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J09 compound treatment -0.0087 -0.00856 -0.33 0.0032 0.00337 0.14 -0.1382 -0.3829 3186666 PK04_094187 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J10 compound treatment -0.0087 -0.00856 -0.33 -0.0117 -0.0115 -0.47 -0.5699 -0.9854 3089776 PK04_094188 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J11 compound treatment 0.0013 0.00144 0.06 -0.0098 -0.00958 -0.39 -0.2379 -0.5998 3068615 PK04_094189 CCCN1C(=O)[C@]2(COC(=N2)c3ccc(OCCCO)cc3)Cc4ccccc14 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J12 compound treatment 0.0163 0.0164 0.64 0.0023 0.00247 0.1 0.5245 0.8087 3001011 PK04_094190 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J13 compound treatment -0.0077 -0.00756 -0.29 -0.0278 -0.0276 -1.13 -1.0075 -0.8625 3068616 PK04_094191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J14 compound treatment -0.0107 -0.0106 -0.41 -0.0147 -0.0146 -0.6 -0.7134 -0.9834 3089772 PK04_094192 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J15 compound treatment -0.0017 -0.00155 -0.06 0.0092 0.00942 0.39 0.2301 0.5891 3068617 PK04_094193 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J16 compound treatment -0.0177 -0.0175 -0.68 -0.0088 -0.00858 -0.35 -0.7316 -0.9524 3089773 PK04_094194 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J17 compound treatment -0.0027 -0.00256 -0.1 0.0143 0.0145 0.59 0.3488 0.5801 3186732 PK04_094195 CN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J18 compound treatment -0.0027 -0.00256 -0.1 -0.0077 -0.00753 -0.31 -0.2887 -0.8902 3089774 PK04_094196 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J19 compound treatment -0.0057 -0.00559 -0.22 -8.0E-4 -6.28E-4 -0.03 -0.1722 -0.7853 3186733 PK04_094197 CCCN1C(=O)[C@@]2(Cc3ccccc13)N=C(O[C@H]2c4ccccc4)c5ccc(OCCCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J20 compound treatment -0.0067 -0.00656 -0.26 0.0073 0.00747 0.31 0.0357 0.0896 3089775 PK04_094198 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J21 mock treatment 0.0073 0.00744 0.29 0.0052 0.00537 0.22 0.3606 0.9907 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J22 mock treatment -0.0247 -0.0246 -0.96 -0.0078 -0.00763 -0.31 -0.8984 -0.8916 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J23 compound treatment -0.0297 -0.0296 -1.15 -0.0147 -0.0146 -0.6 -1.2376 -0.9532 3068619 PK04_094199 COC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 J24 compound treatment -0.0247 -0.0245 -0.96 -0.0227 -0.0226 -0.93 -1.33 -0.9999 3089828 PK04_094200 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K01 compound treatment 3.0E-4 4.42E-4 0.02 0.0213 0.0214 0.88 0.6328 0.7208 3068620 PK04_094201 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K02 compound treatment -0.0147 -0.0146 -0.57 -0.0107 -0.0106 -0.43 -0.7085 -0.9911 3186736 PK04_094202 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K03 compound treatment -0.0287 -0.0286 -1.11 -0.0068 -0.00663 -0.27 -0.9789 -0.8547 3186737 PK04_094203 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K04 compound treatment -0.0037 -0.00356 -0.14 -0.0058 -0.00563 -0.23 -0.2612 -0.9702 3068660 PK04_094204 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K05 compound treatment 0.0143 0.0144 0.56 0.0073 0.00742 0.3 0.612 0.9585 3186738 PK04_094205 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K06 compound treatment -0.0037 -0.00356 -0.14 0.0052 0.00537 0.22 0.0576 0.2215 3068661 PK04_094206 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K07 mock treatment 0.0073 0.00741 0.29 -0.0308 -0.0306 -1.25 -0.682 -0.5303 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K08 mock treatment 0.0013 0.00144 0.06 -0.0147 -0.0146 -0.6 -0.3827 -0.6378 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K09 compound treatment 0.0023 0.00244 0.1 -0.0048 -0.00463 -0.19 -0.067 -0.3153 3186739 PK04_094207 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K10 compound treatment -0.0027 -0.00256 -0.1 -8.0E-4 -6.3E-4 -0.03 -0.0887 -0.8619 3186740 PK04_094208 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K11 compound treatment 0.0153 0.0154 0.6 0.0083 0.00842 0.34 0.6686 0.9654 3068664 PK04_094209 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K12 compound treatment -0.0117 -0.0116 -0.45 -0.0048 -0.00463 -0.19 -0.4526 -0.9262 3186741 PK04_094210 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K13 compound treatment -0.0037 -0.00356 -0.14 -0.0288 -0.0286 -1.17 -0.9263 -0.7853 3068666 PK04_094211 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K14 compound treatment 0.0163 0.0164 0.64 0.0223 0.0225 0.92 1.104 0.9843 3186742 PK04_094212 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K15 mock treatment 0.0063 0.00644 0.25 0.0113 0.0114 0.47 0.5083 0.9574 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K16 mock treatment 0.0023 0.00244 0.1 0.0012 0.00137 0.06 0.1069 0.9682 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K17 compound treatment -0.0047 -0.00459 -0.18 -0.0147 -0.0146 -0.6 -0.549 -0.8801 3186743 PK04_094213 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K18 compound treatment -0.0067 -0.00659 -0.26 0.0163 0.0164 0.67 0.2943 0.4086 3068667 PK04_094214 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K19 compound treatment -0.0167 -0.0166 -0.65 -0.0118 -0.0116 -0.47 -0.7926 -0.9885 3186744 PK04_094215 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K20 compound treatment -0.0017 -0.00156 -0.06 -0.0127 -0.0126 -0.52 -0.4075 -0.7849 3186745 PK04_094216 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K21 compound treatment -0.0157 -0.0156 -0.61 -0.0117 -0.0116 -0.47 -0.765 -0.9925 3068668 PK04_094217 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K22 compound treatment -0.0017 -0.00156 -0.06 -0.0048 -0.00463 -0.19 -0.177 -0.889 3186746 PK04_094218 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K23 mock treatment -0.0067 -0.00659 -0.26 -0.0047 -0.00458 -0.19 -0.3143 -0.9882 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 K24 mock treatment 0.0023 0.00244 0.1 -0.0127 -0.0126 -0.52 -0.2973 -0.5669 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L01 compound treatment -7.0E-4 -5.58E-4 -0.02 -0.0098 -0.00963 -0.39 -0.2945 -0.7449 3068669 PK04_094219 CCOC(=O)N1C(N=C(N1C(=O)OCC)c2ccc(OCCCO)cc2)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L02 compound treatment -0.0057 -0.00556 -0.22 -0.0077 -0.00753 -0.31 -0.3714 -0.985 3001020 PK04_094220 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]2OC(=O)Nc5ccccc5c6ccccc6)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L03 compound treatment 0.0013 0.00144 0.06 -8.0E-4 -6.27E-4 -0.03 0.0216 0.3491 3068670 PK04_094221 COCCCNC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L04 compound treatment -0.0147 -0.0146 -0.57 -0.0067 -0.00653 -0.27 -0.5904 -0.9413 3089829 PK04_094222 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L05 compound treatment -0.0217 -0.0215 -0.84 -0.0117 -0.0116 -0.47 -0.9285 -0.9637 3186813 PK04_094223 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L06 compound treatment -0.0107 -0.0106 -0.41 0.0083 0.00847 0.35 -0.0455 -0.0845 3001022 PK04_094224 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L07 mock treatment -0.0097 -0.00956 -0.37 -8.0E-4 -6.32E-4 -0.03 -0.2816 -0.7545 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L08 mock treatment -0.0137 -0.0136 -0.53 -8.0E-4 -6.32E-4 -0.03 -0.3927 -0.7408 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L09 compound treatment 0.0043 0.00444 0.17 0.0123 0.0124 0.51 0.4822 0.8971 3067926 PK04_094225 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L10 compound treatment 0.0033 0.00344 0.13 -0.0137 -0.0136 -0.56 -0.2987 -0.5218 3089768 PK04_094226 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L11 compound treatment 0.0093 0.00941 0.37 0.0052 0.00537 0.22 0.415 0.9702 3186815 PK04_094227 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L12 compound treatment 0.0013 0.00144 0.06 0.0013 0.00147 0.06 0.0823 0.9994 3089830 PK04_094228 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L13 compound treatment -0.0107 -0.0105 -0.41 -0.0098 -0.00958 -0.39 -0.5677 -0.9998 3067927 PK04_094229 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L14 compound treatment -0.0027 -0.00256 -0.1 3.0E-4 4.68E-4 0.02 -0.0569 -0.5608 3089831 PK04_094230 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L15 mock treatment 0.0043 0.00444 0.17 0.0153 0.0154 0.63 0.5692 0.8688 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L16 mock treatment -0.0047 -0.00456 -0.18 0.0022 0.00237 0.1 -0.057 -0.2815 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L17 compound treatment 0.0113 0.0114 0.44 0.0103 0.0104 0.43 0.6163 0.9998 3067928 PK04_094231 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L18 compound treatment -0.0057 -0.00556 -0.22 0.0133 0.0135 0.55 0.2371 0.4 3001180 PK04_094232 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L19 compound treatment 0.0083 0.00844 0.33 0.0022 0.00237 0.1 0.3012 0.8783 3067929 PK04_094233 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L20 compound treatment -7.0E-4 -5.58E-4 -0.02 0.0103 0.0105 0.43 0.288 0.6704 3001092 PK04_094234 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L21 compound treatment 0.0013 0.00144 0.06 -0.0068 -0.00663 -0.27 -0.1525 -0.5493 3067930 PK04_094235 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L22 compound treatment 0.0043 0.00444 0.17 0.0063 0.00642 0.26 0.3083 0.9794 3001093 PK04_094236 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L23 mock treatment 0.0073 0.00744 0.29 0.0153 0.0154 0.63 0.6519 0.9376 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 L24 mock treatment 0.0133 0.0134 0.52 0.0153 0.0155 0.63 0.8177 0.9954 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M01 compound treatment 0.0233 0.0234 0.91 0.0273 0.0274 1.12 1.4395 0.9946 3067931 PK04_094237 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M02 compound treatment 0.0103 0.0104 0.41 0.0262 0.0264 1.08 1.0533 0.9107 3186821 PK04_094238 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M03 compound treatment 0.0203 0.0204 0.8 0.0122 0.0124 0.51 0.9207 0.9763 3067933 PK04_094239 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M04 compound treatment 0.0123 0.0124 0.48 0.0133 0.0134 0.55 0.7308 0.9979 3186822 PK04_094240 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCCN3CCOCC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M05 compound treatment 0.0083 0.00844 0.33 0.0143 0.0144 0.59 0.6505 0.9617 3067934 PK04_094241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M06 compound treatment 0.0193 0.0194 0.76 0.0153 0.0154 0.63 0.9816 0.996 3186823 PK04_094242 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M07 compound treatment 0.0153 0.0154 0.6 0.0163 0.0164 0.67 0.9003 0.9984 3186824 PK04_094243 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M08 compound treatment 3.0E-4 4.49E-4 0.02 0.0042 0.00437 0.18 0.1389 0.7725 3186825 PK04_094244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M09 mock treatment 0.0093 0.00941 0.37 0.0063 0.00642 0.26 0.4453 0.9867 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M10 mock treatment -0.0087 -0.00859 -0.33 -0.0107 -0.0106 -0.43 -0.5431 -0.9918 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M11 compound treatment 0.0203 0.0204 0.8 0.0333 0.0334 1.37 1.5308 0.9666 3067981 PK04_094245 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M12 compound treatment -0.0247 -0.0246 -0.96 -0.0047 -0.00458 -0.19 -0.8093 -0.8301 3186826 PK04_094246 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M13 mock treatment -0.0027 -0.00256 -0.1 -0.0018 -0.00163 -0.07 -0.1178 -0.9812 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M14 mock treatment 0.0173 0.0174 0.68 0.0123 0.0124 0.51 0.8395 0.99 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M15 compound treatment 0.0053 0.00544 0.21 0.0072 0.00737 0.3 0.3634 0.985 3067982 PK04_094247 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M16 compound treatment -0.0167 -0.0166 -0.65 0.0112 0.0114 0.47 -0.1276 -0.1601 3186827 PK04_094248 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M17 compound treatment 0.0123 0.0124 0.48 -0.0058 -0.00563 -0.23 0.1787 0.3336 3067983 PK04_094249 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M18 compound treatment -0.4244 -0.424 -16.53 0.0043 0.00447 0.18 -11.5586 -0.6992 3186828 PK04_094250 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M19 compound treatment 0.0103 0.0104 0.41 0.0103 0.0104 0.43 0.5896 0.9997 3186829 PK04_094251 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M20 compound treatment 0.0093 0.00944 0.37 0.0072 0.00737 0.3 0.4736 0.9952 3067984 PK04_094252 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M21 compound treatment 0.0153 0.0154 0.6 0.0123 0.0125 0.51 0.7859 0.9968 3186907 PK04_094253 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M22 compound treatment 0.0093 0.00944 0.37 0.0143 0.0144 0.59 0.6781 0.974 3067985 PK04_094254 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M23 compound treatment -0.0017 -0.00156 -0.06 0.0153 0.0154 0.63 0.404 0.6363 3186908 PK04_094255 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 M24 compound treatment -0.0067 -0.00656 -0.26 -0.0108 -0.0106 -0.44 -0.4888 -0.9677 3186909 PK04_094256 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N01 compound treatment -0.0087 -0.00855 -0.33 -0.0297 -0.0296 -1.21 -1.0929 -0.8692 3067986 PK04_094257 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N02 compound treatment -0.0257 -0.0256 -1.0 -0.0288 -0.0286 -1.17 -1.5332 -0.9968 3186910 PK04_094258 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N03 compound treatment -0.0277 -0.0276 -1.07 -0.0088 -0.00858 -0.35 -1.0087 -0.8919 3067987 PK04_094259 CN(C)C(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N04 compound treatment -0.0317 -0.0316 -1.23 -0.0357 -0.0355 -1.46 -1.899 -0.9965 3186911 PK04_094260 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N05 compound treatment -0.0057 -0.00556 -0.22 -0.0088 -0.00863 -0.35 -0.4032 -0.9722 3414052 PK04_094261 COC(=O)[C@@H]1N=C(O[C@@H]1C)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N06 compound treatment -0.0127 -0.0126 -0.49 -0.0208 -0.0206 -0.84 -0.9424 -0.9664 3186912 PK04_094262 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N07 compound treatment -0.0087 -0.00856 -0.33 -0.0257 -0.0256 -1.05 -0.977 -0.8882 3186913 PK04_094263 OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N08 compound treatment -0.0087 -0.00856 -0.33 -0.0398 -0.0396 -1.62 -1.3828 -0.835 1952953 PK04_094264 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N09 mock treatment -0.0307 -0.0306 -1.19 -0.0408 -0.0406 -1.66 -2.0187 -0.9866 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N10 mock treatment -0.0047 -0.00456 -0.18 -0.0078 -0.00763 -0.31 -0.3467 -0.964 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N11 compound treatment -0.0237 -0.0236 -0.92 -0.0208 -0.0206 -0.84 -1.2463 -0.9991 3068027 PK04_094265 CC(=O)OC[C@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N12 compound treatment -0.0187 -0.0185 -0.72 -0.0098 -0.00958 -0.39 -0.7881 -0.959 3186914 PK04_094266 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N13 mock treatment -0.0107 -0.0106 -0.41 -8.0E-4 -6.27E-4 -0.03 -0.3099 -0.7497 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N14 mock treatment -0.0177 -0.0176 -0.69 -0.0018 -0.00163 -0.07 -0.5318 -0.7724 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N15 compound treatment 0.0033 0.00344 0.13 -0.0208 -0.0206 -0.84 -0.5016 -0.5873 3068028 PK04_094267 CC(=O)OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N16 compound treatment -0.0087 -0.00859 -0.33 2.0E-4 3.68E-4 0.02 -0.2259 -0.6746 3186915 PK04_094268 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N17 compound treatment -0.0197 -0.0196 -0.76 -0.0187 -0.0186 -0.76 -1.0781 -1.0 3068029 PK04_094269 CC(=O)OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N18 compound treatment -0.0157 -0.0155 -0.6 -0.0087 -0.00853 -0.35 -0.675 -0.966 1952947 PK04_094270 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@@H](Cc5ccccc5)C/C=C/C[C@H](Cc6ccccc6)C(=O)O[C@@H]14 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N19 compound treatment -0.0177 -0.0176 -0.69 -0.0198 -0.0196 -0.8 -1.052 -0.9969 3068030 PK04_094271 OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N20 compound treatment -0.0187 -0.0185 -0.72 -0.0257 -0.0256 -1.05 -1.2518 -0.9834 3186916 PK04_094272 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N21 compound treatment -0.0067 -0.00656 -0.26 0.0053 0.00542 0.22 -0.0237 -0.0699 3068031 PK04_094273 CC(=O)OC[C@@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N22 compound treatment -0.0267 -0.0266 -1.03 -0.0217 -0.0216 -0.88 -1.3571 -0.9969 1952944 PK04_094274 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N23 compound treatment -0.0267 -0.0266 -1.03 -0.0098 -0.00958 -0.39 -1.0093 -0.912 3186917 PK04_094275 CC(=O)OC[C@H](C=C)N(Cc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 N24 compound treatment -0.5454 -0.545 -21.24 -0.0217 -0.0216 -0.88 -15.6469 -0.7359 3413982 PK04_094276 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O01 compound treatment 0.0163 0.0164 0.64 0.0163 0.0164 0.67 0.9279 0.9997 3068032 PK04_094277 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O02 compound treatment 0.0063 0.00645 0.25 0.0092 0.00942 0.39 0.4505 0.9784 3186919 PK04_094278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O03 compound treatment 0.0093 0.00947 0.37 0.0233 0.0234 0.96 0.9395 0.9138 3068033 PK04_094279 NC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O04 compound treatment 0.0083 0.00844 0.33 0.0123 0.0124 0.51 0.5924 0.9777 3186920 PK04_094280 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O05 compound treatment 0.0093 0.00944 0.37 0.0233 0.0234 0.96 0.9388 0.9134 3068035 PK04_094281 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O06 compound treatment 0.0023 0.00244 0.1 0.0103 0.0104 0.43 0.3692 0.844 3186921 PK04_094282 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O07 compound treatment 0.0113 0.0114 0.44 -0.0038 -0.00363 -0.15 0.2093 0.4463 3186922 PK04_094283 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O08 compound treatment -0.0047 -0.00455 -0.18 0.0133 0.0134 0.55 0.2634 0.4559 3068037 PK04_094284 CN(C)C(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O09 compound treatment -0.0027 -0.00256 -0.1 -7.0E-4 -5.32E-4 -0.02 -0.0859 -0.8419 3186923 PK04_094285 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O10 compound treatment -0.0077 -0.00759 -0.3 -0.0048 -0.00463 -0.19 -0.3433 -0.9771 3068038 PK04_094286 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O11 mock treatment -0.0057 -0.00556 -0.22 0.0012 0.00137 0.06 -0.1135 -0.5074 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O12 mock treatment -0.0177 -0.0176 -0.69 0.0062 0.00637 0.26 -0.3 -0.4091 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O13 compound treatment 0.0033 0.00341 0.13 -0.0078 -0.00763 -0.31 -0.1272 -0.3742 3186924 PK04_094287 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O14 compound treatment 0.0043 0.00444 0.17 0.0053 0.00547 0.22 0.2808 0.9919 3186925 PK04_094288 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O15 compound treatment 0.0053 0.00544 0.21 0.0283 0.0284 1.16 0.9735 0.8224 3187013 PK04_094289 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O16 compound treatment 0.0083 0.00841 0.33 -0.0028 -0.00263 -0.11 0.1555 0.4506 3068077 PK04_094290 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O17 compound treatment 0.0073 0.00744 0.29 0.0032 0.00337 0.14 0.3026 0.9424 3187014 PK04_094291 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O18 compound treatment -0.0127 -0.0126 -0.49 0.0073 0.00742 0.3 -0.1318 -0.2284 3187015 PK04_094292 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O19 compound treatment 0.0013 0.00144 0.06 0.0032 0.00337 0.14 0.1373 0.9215 3068081 PK04_094293 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O20 compound treatment 0.0043 0.00444 0.17 -0.0048 -0.00463 -0.19 -0.0119 -0.0462 3187016 PK04_094294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O21 compound treatment 0.0023 0.00244 0.1 0.0153 0.0154 0.63 0.514 0.8045 3187017 PK04_094295 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O22 compound treatment 0.0153 0.0154 0.6 0.0243 0.0244 1.0 1.133 0.9704 3068083 PK04_094296 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O23 compound treatment -0.0057 -0.00559 -0.22 0.0222 0.0224 0.92 0.4957 0.525 3187018 PK04_094297 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 O24 compound treatment -0.0197 -0.0196 -0.76 -0.0127 -0.0126 -0.52 -0.9042 -0.9818 3068084 PK04_094298 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P01 compound treatment -0.0577 -0.0576 -2.24 -0.0417 -0.0416 -1.7 -2.7905 -0.9908 3187019 PK04_094299 CC(=O)OC[C@H](C=C)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P02 compound treatment -0.0137 -0.0136 -0.53 -0.0168 -0.0166 -0.68 -0.854 -0.9922 3413984 PK04_094300 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P03 compound treatment -0.0637 -0.0635 -2.48 -0.0198 -0.0196 -0.8 -2.3176 -0.8907 3068086 PK04_094301 COc1ccc(CN([C@H](CO)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P04 compound treatment -0.0397 -0.0396 -1.54 -0.0377 -0.0375 -1.54 -2.1774 -1.0 3413986 PK04_094302 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P05 compound treatment -0.0287 -0.0286 -1.11 -0.0158 -0.0156 -0.64 -1.2391 -0.9651 3068087 PK04_094303 COc1cc(CN([C@@H](COC(=O)C)C=C)S(=O)(=O)c2ccc(Br)cc2)ccc1OC(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P06 compound treatment -0.0397 -0.0396 -1.54 -0.0208 -0.0206 -0.84 -1.6862 -0.9598 1952975 PK04_094304 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P07 compound treatment -0.0267 -0.0266 -1.04 -0.0308 -0.0306 -1.25 -1.6187 -0.9955 3068088 PK04_094305 OCCCNS(=O)(=O)c1ccc(Br)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P08 compound treatment -0.0207 -0.0206 -0.8 -0.0317 -0.0315 -1.29 -1.4801 -0.9735 3413993 PK04_094306 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P09 compound treatment -0.0307 -0.0306 -1.19 -0.0187 -0.0186 -0.76 -1.3812 -0.9766 3068089 PK04_094307 CC[Si](CC)(CC)OC[C@@H](C=C)N(Cc1ccc(OC(=O)C)c(OC)c1)S(=O)(=O)c2ccc(Br)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P10 compound treatment -0.0547 -0.0546 -2.13 -0.0497 -0.0495 -2.03 -2.9384 -0.9997 1952969 PK04_094308 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@H](Cc5ccccc5)C/C=C/C[C@@H](Cc6ccccc6)C(=O)O[C@@H]14 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P11 mock treatment -0.0427 -0.0426 -1.66 -0.0408 -0.0406 -1.66 -2.3493 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P12 mock treatment -0.0247 -0.0246 -0.96 -0.0338 -0.0336 -1.38 -1.6505 -0.9843 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P13 compound treatment -0.0377 -0.0376 -1.46 -0.0248 -0.0246 -1.01 -1.7479 -0.9833 3068090 PK04_094309 COc1cc(CO)ccc1OC(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P14 compound treatment -0.0297 -0.0296 -1.15 -0.0177 -0.0176 -0.72 -1.3246 -0.9744 3068091 PK04_094310 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P15 compound treatment -0.0797 -0.0796 -3.1 -0.0667 -0.0665 -2.73 -4.1197 -0.998 3187025 PK04_094311 COc1ccc(CN(C2=CC[C@@]3(C(=O)N)C(=O)C(=C(Cl)C(=O)[C@]3(C2)C#N)Cl)S(=O)(=O)c4ccc(Br)cc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P16 compound treatment -0.0387 -0.0386 -1.5 -0.0297 -0.0295 -1.21 -1.918 -0.9943 3187026 PK04_094312 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P17 compound treatment -0.0447 -0.0446 -1.74 -0.0177 -0.0176 -0.72 -1.7379 -0.9241 3068092 PK04_094313 CC(C)(C)OC(=O)N1[C@H](COC1(C)C)C=C(Br)Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P18 compound treatment -0.0247 -0.0246 -0.96 -0.0457 -0.0455 -1.87 -1.996 -0.9518 3187027 PK04_094314 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P19 compound treatment -0.0177 -0.0176 -0.69 -0.0198 -0.0196 -0.8 -1.0519 -0.9969 1003211 PK04_094315 CNS(=O)(=O)c1ccc(C)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P20 compound treatment -0.0377 -0.0376 -1.46 -0.0408 -0.0406 -1.66 -2.2107 -0.998 3187028 PK04_094316 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P21 compound treatment -0.0137 -0.0136 -0.53 -0.0198 -0.0196 -0.8 -0.9417 -0.9796 3068127 PK04_094317 COc1cc(COC(=O)C)ccc1OC(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P22 compound treatment -0.0197 -0.0196 -0.76 -0.0248 -0.0246 -1.01 -1.252 -0.9906 3187029 PK04_094318 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P23 compound treatment -0.0157 -0.0156 -0.61 -0.0328 -0.0326 -1.34 -1.3736 -0.9364 3068129 PK04_094319 OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2094 P24 compound treatment -0.0237 -0.0236 -0.92 0.0023 0.00247 0.1 -0.5783 -0.6255 3413981 PK04_094320 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A01 compound treatment -0.2512 -0.251 -9.77 -0.0021 -0.00198 -0.08 -6.963 -0.713 3067957 PK04_095001 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A02 compound treatment -0.0071 -0.0066 -0.26 0.0149 0.015 0.61 0.2525 0.3793 3187176 PK04_095002 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A03 compound treatment 0.0099 0.0104 0.41 -0.0101 -0.01 -0.41 -0.0036 -0.0063 3067577 PK04_095003 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCc6ccccc6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A04 compound treatment -0.0131 -0.0126 -0.49 -0.0222 -0.022 -0.9 -0.9844 -0.9589 3187436 PK04_095004 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A05 compound treatment 9.0E-4 0.0014 0.05 0.0119 0.012 0.49 0.3868 0.7807 3186425 PK04_095005 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc6I)c7ccc(cc7)[N+](=O)[O-])cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A06 compound treatment -0.0121 -0.0116 -0.45 -0.0162 -0.016 -0.66 -0.783 -0.9833 3187069 PK04_095006 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A07 compound treatment 0.0139 0.0144 0.56 -0.0222 -0.022 -0.9 -0.2406 -0.2264 3187427 PK04_095007 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A08 compound treatment 0.0179 0.0184 0.72 0.0059 0.00602 0.25 0.6819 0.8985 3187515 PK04_095008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc6)c7ccc(cc7)[N+](=O)[O-])cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A09 compound treatment -0.0201 -0.0196 -0.76 0.0119 0.012 0.49 -0.1912 -0.2106 3187425 PK04_095009 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A10 compound treatment -0.0091 -0.00858 -0.33 -0.0072 -0.00701 -0.29 -0.4396 -0.9972 3068592 PK04_095010 CCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A11 compound treatment -0.0011 -5.97E-4 -0.02 0.0019 0.00202 0.08 0.042 0.4889 3187517 PK04_095011 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A12 compound treatment 0.0029 0.0034 0.13 0.0069 0.00702 0.29 0.297 0.9382 3187344 PK04_095012 COCCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A13 mock treatment -0.0081 -0.0076 -0.3 -0.0052 -0.00501 -0.21 -0.3546 -0.9841 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A14 mock treatment -0.0161 -0.0156 -0.61 -0.0032 -0.00301 -0.12 -0.5165 -0.8339 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A15 compound treatment -0.0011 -6.0E-4 -0.02 0.0049 0.00502 0.21 0.1289 0.6227 3186552 PK04_095013 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A16 compound treatment -0.0081 -0.00758 -0.3 0.0029 0.00302 0.12 -0.1214 -0.3792 3187439 PK04_095014 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A17 compound treatment -0.0041 -0.0036 -0.14 -0.0081 -0.00801 -0.33 -0.3313 -0.9279 3187073 PK04_095015 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A18 compound treatment -0.0051 -0.0046 -0.18 -0.0051 -0.00498 -0.2 -0.2711 -0.9979 3187272 PK04_095016 COCCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A19 compound treatment -0.0091 -0.0086 -0.33 -1.0E-4 1.55E-5 0.0 -0.2364 -0.7058 3187508 PK04_095017 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NC3CC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A20 compound treatment 0.0059 0.0064 0.25 0.0109 0.011 0.45 0.4956 0.9609 3186432 PK04_095018 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A21 compound treatment -0.0241 -0.0236 -0.92 0.0039 0.00401 0.16 -0.5333 -0.5714 3068646 PK04_095019 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A22 compound treatment -0.0161 -0.0156 -0.61 -0.0132 -0.013 -0.53 -0.8057 -0.998 3068651 PK04_095020 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A23 compound treatment -0.0061 -0.0056 -0.22 0.0049 0.00502 0.21 -0.0088 -0.0293 3187585 PK04_095021 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 A24 compound treatment -0.0291 -0.0286 -1.11 -0.0211 -0.021 -0.86 -1.3962 -0.9919 3187430 PK04_095022 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B01 compound treatment -0.0351 -0.0346 -1.35 -0.0252 -0.025 -1.03 -1.678 -0.991 3187519 PK04_095023 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B02 compound treatment -0.0031 -0.0026 -0.1 -0.0061 -0.00598 -0.25 -0.245 -0.9234 3186885 PK04_095024 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B03 compound treatment 0.0159 0.0164 0.64 0.0188 0.019 0.78 1.0026 0.9953 3187435 PK04_095025 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B04 compound treatment -0.0131 -0.0126 -0.49 -0.0382 -0.038 -1.56 -1.4481 -0.8864 3186491 PK04_095026 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B05 compound treatment 0.0199 0.0204 0.8 0.0129 0.013 0.53 0.9398 0.9811 3068539 PK04_095027 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4cc(F)cc(c4)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B06 compound treatment -0.0041 -0.00358 -0.14 -0.0062 -0.00603 -0.25 -0.2734 -0.9632 3186559 PK04_095028 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B07 compound treatment 0.0159 0.0164 0.64 0.0059 0.00602 0.25 0.6268 0.9141 3068561 PK04_095029 CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B08 compound treatment 0.0059 0.00644 0.25 0.0028 0.00294 0.12 0.2626 0.9433 3068322 PK04_095030 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B09 compound treatment 0.0099 0.0104 0.41 0.0168 0.017 0.7 0.7787 0.9669 3187432 PK04_095031 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B10 compound treatment -0.0091 -0.00858 -0.33 -0.0152 -0.0151 -0.62 -0.6728 -0.9585 3068145 PK04_095032 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(F)(F)F)c5ccccc5C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B11 compound treatment 0.0069 0.0074 0.29 0.0089 0.00902 0.37 0.4652 0.9925 3187265 PK04_095033 CC(C)N1[C@H]([C@H](C(=O)NCCCN(C)C)c2ccccc2C1=O)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B12 compound treatment -0.0671 -0.0666 -2.59 -0.0652 -0.065 -2.67 -3.7187 -0.9999 3186629 PK04_095034 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B13 mock treatment 0.0099 0.0104 0.41 0.0228 0.023 0.94 0.9532 0.9293 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B14 mock treatment -0.0011 -5.57E-4 -0.02 -0.0162 -0.016 -0.66 -0.48 -0.7301 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B15 compound treatment 0.0169 0.0174 0.68 0.0099 0.01 0.41 0.7702 0.971 3187269 PK04_095035 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3CCCCC3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B16 compound treatment -0.0071 -0.00656 -0.26 -0.0172 -0.017 -0.7 -0.6743 -0.9071 3186887 PK04_095036 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B17 compound treatment 0.0199 0.0204 0.8 0.0129 0.013 0.53 0.9389 0.9809 3068417 PK04_095037 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B18 compound treatment -0.0621 -0.0616 -2.4 -0.0742 -0.074 -3.03 -3.8412 -0.9932 3067610 PK04_095038 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(C7CC7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B19 compound treatment 0.0149 0.0154 0.6 0.0169 0.017 0.7 0.9171 0.9973 3068639 PK04_095039 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3cc(F)cc(c3)C(F)(F)F)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B20 compound treatment -1.0E-4 4.03E-4 0.02 0.0028 0.00294 0.12 0.0962 0.7926 3068006 PK04_095040 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B21 compound treatment 0.0119 0.0124 0.48 0.0249 0.025 1.02 1.0657 0.9413 3068601 PK04_095041 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCc4ccccc4)c5ccccc5C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B22 compound treatment -0.1122 -0.112 -4.35 -0.1117 -0.112 -4.57 -6.3087 -0.9997 3068203 PK04_095042 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5Cl)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B23 compound treatment 0.0199 0.0204 0.8 -0.0011 -9.84E-4 -0.04 0.5341 0.6704 3187355 PK04_095043 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCC(F)(F)F)c4ccccc4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 B24 compound treatment -0.0451 -0.0446 -1.74 -0.0572 -0.057 -2.34 -2.8803 -0.9893 3068156 PK04_095044 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C01 compound treatment -0.0041 -0.0036 -0.14 -0.0041 -0.00398 -0.16 -0.2146 -0.9971 3187590 PK04_095045 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C02 compound treatment 9.0E-4 0.0014 0.05 -0.0121 -0.012 -0.49 -0.3095 -0.6248 3187180 PK04_095046 CC(C)NC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C03 compound treatment 0.0019 0.0024 0.09 0.0029 0.00302 0.12 0.1536 0.9906 3186493 PK04_095047 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C04 compound treatment 0.0059 0.0064 0.25 -0.0122 -0.0121 -0.49 -0.1732 -0.3128 3186427 PK04_095048 CN(C)CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C05 compound treatment 0.0159 0.0164 0.64 -0.0072 -0.00701 -0.29 0.2492 0.3552 3187172 PK04_095049 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C06 compound treatment -0.0051 -0.00458 -0.18 0.0059 0.00602 0.25 0.0482 0.1585 3187080 PK04_095050 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C07 compound treatment -0.0021 -0.0016 -0.06 0.0059 0.00602 0.25 0.1303 0.5124 3186988 PK04_095051 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C08 compound treatment 0.0029 0.0034 0.13 0.0069 0.00702 0.29 0.297 0.9382 3068011 PK04_095052 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C09 compound treatment -0.0011 -5.99E-4 -0.02 0.0039 0.00402 0.16 0.0999 0.6009 3068498 PK04_095053 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C10 compound treatment -0.0101 -0.00958 -0.37 0.0019 0.00202 0.08 -0.2054 -0.5376 3186550 PK04_095054 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C11 mock treatment 0.0019 0.0024 0.09 -1.0E-4 1.55E-5 0.0 0.0666 0.7119 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C12 mock treatment 0.0049 0.0054 0.21 -0.0021 -0.00198 -0.08 0.0913 0.4048 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C13 compound treatment 0.0019 0.0024 0.09 0.0039 0.00401 0.16 0.1825 0.9643 3187361 PK04_095055 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C14 compound treatment -0.0021 -0.0016 -0.06 0.0109 0.011 0.45 0.2743 0.6036 3068504 PK04_095056 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccc(OC(F)(F)F)cc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C15 mock treatment -0.0021 -0.0016 -0.06 0.0049 0.00502 0.21 0.1013 0.4719 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C16 mock treatment 0.0079 0.0084 0.33 0.0039 0.00401 0.16 0.3477 0.9493 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C17 compound treatment 0.0049 0.00542 0.21 0.0069 0.00699 0.29 0.3518 0.9888 3067969 PK04_095057 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCCN(C)C)c3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C18 compound treatment -0.0071 -0.0066 -0.26 0.0059 0.00602 0.25 -0.0074 -0.0209 3187359 PK04_095058 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccc(OC(F)(F)F)cc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C19 compound treatment 0.0039 0.0044 0.17 0.0098 0.00999 0.41 0.4106 0.9255 3187087 PK04_095059 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C20 compound treatment -0.0051 -0.0046 -0.18 0.0029 0.00301 0.12 -0.0394 -0.1809 3187443 PK04_095060 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C21 compound treatment -0.0041 -0.0036 -0.14 0.0109 0.011 0.45 0.2192 0.465 3067571 PK04_095061 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C22 compound treatment -0.0051 -0.0046 -0.18 -0.0102 -0.01 -0.41 -0.4169 -0.9309 3187181 PK04_095062 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C23 compound treatment -0.0071 -0.0066 -0.26 -0.0182 -0.018 -0.74 -0.7039 -0.9003 3187509 PK04_095063 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)c4ccc(cc4)[N+](=O)[O-])cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 C24 compound treatment 9.0E-4 0.0014 0.05 -0.0041 -0.00399 -0.16 -0.0769 -0.4463 3068474 PK04_095064 CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D01 compound treatment 0.0049 0.0054 0.21 -0.0011 -9.84E-4 -0.04 0.1203 0.5613 3068587 PK04_095065 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(CC3(CC4CC5CC(C4)C3)C5)C(=O)c6ccccc26)c7ccc(CO)cc7)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D02 compound treatment -0.0101 -0.0096 -0.37 -0.0202 -0.02 -0.82 -0.845 -0.9366 3068318 PK04_095066 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D03 compound treatment -0.0041 -0.00358 -0.14 0.0079 0.00802 0.33 0.1337 0.3748 3187363 PK04_095067 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D04 compound treatment -0.1322 -0.132 -5.13 -0.1137 -0.114 -4.65 -6.9179 -0.9988 3186486 PK04_095068 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(CCN7CCOCC7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D05 compound treatment -0.0111 -0.0106 -0.41 0.0029 0.00302 0.12 -0.2039 -0.474 3187179 PK04_095069 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(=O)c3ccccc23)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D06 compound treatment -0.0141 -0.0136 -0.53 -0.0101 -0.01 -0.41 -0.6642 -0.9921 3187522 PK04_095070 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D07 compound treatment -0.0011 -6.0E-4 -0.02 -0.0052 -0.00501 -0.21 -0.1618 -0.7825 3068515 PK04_095071 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D08 compound treatment -0.0071 -0.0066 -0.26 0.0049 0.00501 0.21 -0.0365 -0.111 3186872 PK04_095072 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D09 compound treatment 9.0E-4 0.0014 0.05 -0.0152 -0.015 -0.62 -0.3965 -0.6419 3068609 PK04_095073 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D10 compound treatment -0.0191 -0.0186 -0.72 -0.0111 -0.011 -0.45 -0.8301 -0.9739 3186795 PK04_095074 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D11 mock treatment 0.0079 0.00842 0.33 0.0059 0.00602 0.25 0.4064 0.9901 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D12 mock treatment -0.0091 -0.0086 -0.33 -0.0031 -0.00298 -0.12 -0.3234 -0.9067 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D13 compound treatment 0.0039 0.0044 0.17 -0.0041 -0.00398 -0.16 0.0058 0.0246 3067964 PK04_095075 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D14 compound treatment -0.0541 -0.0536 -2.09 -0.0322 -0.0321 -1.31 -2.4046 -0.9751 3068230 PK04_095076 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D15 mock treatment -0.0121 -0.0116 -0.45 -0.0092 -0.00901 -0.37 -0.5802 -0.9951 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D16 mock treatment -0.0071 -0.0066 -0.26 0.0039 0.00399 0.16 -0.0663 -0.2176 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D17 compound treatment -0.0081 -0.00758 -0.3 0.0089 0.00901 0.37 0.0524 0.1109 3068595 PK04_095077 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCc3ccccc3)c4ccccc4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D18 compound treatment -0.0091 -0.0086 -0.33 -0.0122 -0.012 -0.49 -0.5856 -0.9822 3186982 PK04_095078 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D19 compound treatment -0.0051 -0.0046 -0.18 0.0019 0.00202 0.08 -0.0682 -0.346 3187440 PK04_095079 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D20 compound treatment -1.0E-4 4.03E-4 0.02 -0.0121 -0.012 -0.49 -0.3362 -0.6842 3068415 PK04_095080 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D21 compound treatment -0.0131 -0.0126 -0.49 0.0059 0.00602 0.25 -0.1716 -0.3133 3068596 PK04_095081 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCC(F)(F)F)c3ccccc3C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D22 compound treatment -0.0031 -0.0026 -0.1 -0.0091 -0.00898 -0.37 -0.3319 -0.8692 3186713 PK04_095082 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D23 compound treatment -1.0E-4 4.03E-4 0.02 0.0108 0.011 0.45 0.3293 0.7313 3187357 PK04_095083 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 D24 compound treatment -0.0081 -0.00758 -0.3 -0.0012 -0.00106 -0.04 -0.2396 -0.8029 3068270 PK04_095084 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCCN6CCOCC6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E01 mock treatment 0.0069 0.0074 0.29 0.0149 0.015 0.61 0.6382 0.9406 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E02 mock treatment 0.0129 0.0134 0.52 0.0119 0.012 0.49 0.7174 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E03 compound treatment 0.0169 0.0174 0.68 0.0079 0.00802 0.33 0.7117 0.9447 3068636 PK04_095085 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E04 compound treatment 0.0139 0.0144 0.56 0.0049 0.00502 0.21 0.5428 0.9071 3186556 PK04_095086 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E05 compound treatment 0.0129 0.0134 0.52 0.0159 0.016 0.66 0.833 0.9938 3187587 PK04_095087 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E06 compound treatment 0.0209 0.0214 0.83 0.0179 0.018 0.74 1.1114 0.9981 3186428 PK04_095088 COCCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E07 compound treatment 0.0229 0.0234 0.91 0.0138 0.014 0.57 1.0506 0.9749 3187266 PK04_095089 CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E08 compound treatment 0.0249 0.0254 0.99 0.0129 0.013 0.53 1.0775 0.9578 3187351 PK04_095090 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E09 mock treatment 0.0199 0.0204 0.8 0.0109 0.011 0.45 0.881 0.9636 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E10 mock treatment 0.0209 0.0214 0.83 0.0278 0.028 1.15 1.401 0.9878 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E11 compound treatment -0.0171 -0.0166 -0.65 0.0069 0.00699 0.29 -0.2543 -0.3599 3068004 PK04_095091 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E12 compound treatment 0.0129 0.0134 0.52 -1.0E-4 1.55E-5 0.0 0.3702 0.708 3186500 PK04_095092 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E13 compound treatment 0.0219 0.0224 0.87 0.0168 0.017 0.7 1.1098 0.9937 3187346 PK04_095093 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCN3CCOCC3)c4ccccc4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E14 compound treatment -1.0E-4 4.03E-4 0.02 0.0059 0.00599 0.25 0.1845 0.7508 3187262 PK04_095094 CC(C)N1[C@H]([C@H](C(=O)NCCN2CCOCC2)c3ccccc3C1=O)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E15 compound treatment 0.0329 0.0334 1.3 0.0228 0.023 0.94 1.5874 0.9873 3067574 PK04_095095 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NC6CC6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E16 compound treatment 0.0099 0.0104 0.41 0.0129 0.013 0.53 0.6634 0.9911 3187350 PK04_095096 COCCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E17 mock treatment 0.0049 0.0054 0.21 0.0279 0.028 1.15 0.9598 0.8231 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E18 mock treatment 0.0219 0.0224 0.87 0.0188 0.019 0.78 1.1679 0.9983 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E19 compound treatment 0.0079 0.00842 0.33 0.0149 0.015 0.61 0.6663 0.9569 3068657 PK04_095097 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E20 compound treatment 0.0159 0.0164 0.64 0.0209 0.021 0.86 1.0606 0.9894 3068140 PK04_095098 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E21 compound treatment 0.0189 0.0194 0.76 0.0218 0.022 0.9 1.1721 0.9962 3186562 PK04_095099 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E22 compound treatment 0.0179 0.0184 0.72 0.0099 0.01 0.41 0.7977 0.9648 3187591 PK04_095100 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E23 compound treatment 0.0089 0.00942 0.37 0.0108 0.011 0.45 0.5778 0.9949 3187263 PK04_095101 CC(C)N1[C@H]([C@H](C(=O)NCc2ccccc2)c3ccccc3C1=O)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 E24 compound treatment 0.0039 0.0044 0.17 0.0228 0.023 0.94 0.7874 0.8223 3068517 PK04_095102 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F01 mock treatment -0.0031 -0.0026 -0.1 -0.0011 -9.84E-4 -0.04 -0.1001 -0.9187 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F02 mock treatment 0.0019 0.0024 0.09 -0.0112 -0.011 -0.45 -0.253 -0.5488 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F03 compound treatment 0.0129 0.0134 0.52 0.0119 0.012 0.49 0.7174 0.9996 3187079 PK04_095103 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F04 compound treatment -0.0061 -0.0056 -0.22 0.0118 0.012 0.49 0.1931 0.3593 3068331 PK04_095104 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F05 compound treatment 0.0209 0.0214 0.83 -0.0021 -0.00198 -0.08 0.5327 0.6352 3068563 PK04_095105 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F06 compound treatment 0.0069 0.00742 0.29 0.0069 0.00702 0.29 0.4078 1.0 3186879 PK04_095106 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCCN6CCOCC6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F07 compound treatment 0.0039 0.0044 0.17 -0.0041 -0.00398 -0.16 0.0058 0.0246 3187523 PK04_095107 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F08 compound treatment -0.0862 -0.0857 -3.34 -0.0802 -0.0801 -3.28 -4.6799 -1.0 3186563 PK04_095108 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F09 mock treatment -0.0111 -0.0106 -0.41 0.0119 0.012 0.49 0.0568 0.0884 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F10 mock treatment 0.0199 0.0204 0.8 0.0059 0.00602 0.25 0.737 0.8847 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F11 compound treatment 0.0019 0.0024 0.09 0.0049 0.00501 0.21 0.2114 0.9367 3187257 PK04_095109 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F12 compound treatment -0.0071 -0.0066 -0.26 -0.0111 -0.011 -0.45 -0.5001 -0.9647 3068241 PK04_095110 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F13 compound treatment 0.0149 0.0154 0.6 -0.0021 -0.00198 -0.08 0.3674 0.6059 3068554 PK04_095111 COCCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F14 compound treatment 0.0019 0.0024 0.09 0.0168 0.0169 0.69 0.5569 0.7953 3068362 PK04_095112 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)Sc4ccc(C)cc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F15 compound treatment 0.0049 0.0054 0.21 0.0289 0.029 1.19 0.9888 0.8196 3186423 PK04_095113 CC(C)CNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F16 compound treatment -0.0041 -0.00356 -0.14 -2.0E-4 -6.45E-5 0.0 -0.0999 -0.7205 3068012 PK04_095114 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F17 mock treatment 0.0099 0.0104 0.41 0.0069 0.00702 0.29 0.4899 0.9859 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F18 mock treatment 0.0099 0.0104 0.41 0.0249 0.025 1.02 1.0112 0.918 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F19 compound treatment 0.0299 0.0304 1.19 0.0208 0.021 0.86 1.4462 0.9876 3067568 PK04_095115 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F20 compound treatment 0.0069 0.00742 0.29 0.0078 0.00799 0.33 0.4359 0.9981 3068266 PK04_095116 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F21 compound treatment 0.0099 0.0104 0.41 0.0118 0.012 0.49 0.6339 0.9954 3186419 PK04_095117 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F22 compound treatment 0.0019 0.0024 0.09 -2.0E-4 -6.45E-5 0.0 0.0643 0.6869 3187524 PK04_095118 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F23 compound treatment 0.0179 0.0184 0.72 -0.0101 -0.01 -0.41 0.2173 0.2629 3068017 PK04_095119 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)O)c4ccccc4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 F24 compound treatment -0.0061 -0.0056 -0.22 0.0159 0.016 0.66 0.309 0.4476 3186554 PK04_095120 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G01 compound treatment 0.0189 0.0194 0.76 -0.0061 -0.00598 -0.25 0.3617 0.4547 3186418 PK04_095121 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G02 compound treatment -0.0031 -0.0026 -0.1 -0.0011 -9.84E-4 -0.04 -0.1001 -0.9187 3067966 PK04_095122 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCN3CCOCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G03 mock treatment -0.0071 -0.00658 -0.26 0.0029 0.00302 0.12 -0.0937 -0.3294 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G04 mock treatment 0.0109 0.0114 0.44 -1.0E-4 1.55E-5 0.0 0.3146 0.7081 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G05 compound treatment -0.0021 -0.0016 -0.06 0.0069 0.00702 0.29 0.1593 0.5414 3068153 PK04_095123 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G06 compound treatment -0.0051 -0.00458 -0.18 0.0069 0.00702 0.29 0.0772 0.2282 3187356 PK04_095124 COCCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G07 compound treatment 0.0219 0.0224 0.87 0.0178 0.0179 0.74 1.138 0.9963 3187173 PK04_095125 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G08 compound treatment 0.0019 0.0024 0.09 -0.0081 -0.00799 -0.33 -0.1653 -0.4854 3068514 PK04_095126 CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G09 compound treatment -0.0071 -0.00658 -0.26 -0.0062 -0.00603 -0.25 -0.3561 -0.9998 3187442 PK04_095127 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G10 compound treatment -0.0071 -0.0066 -0.26 0.0079 0.00802 0.33 0.0505 0.1211 3068420 PK04_095128 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G11 compound treatment -0.0031 -0.0026 -0.1 -0.0101 -0.01 -0.41 -0.3617 -0.8558 3187434 PK04_095129 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G12 compound treatment 0.0189 0.0194 0.76 -0.0021 -0.00198 -0.08 0.4776 0.6275 3186416 PK04_095130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G13 compound treatment 0.0109 0.0114 0.45 -0.0031 -0.00298 -0.12 0.2282 0.4944 3068507 PK04_095131 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G14 compound treatment -0.0091 -0.0086 -0.33 -0.0031 -0.00298 -0.12 -0.3233 -0.9066 3187162 PK04_095132 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G15 compound treatment -0.0021 -0.0016 -0.06 0.0019 0.00199 0.08 0.0135 0.1321 3068602 PK04_095133 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G16 compound treatment -0.0031 -0.0026 -0.1 -0.0142 -0.014 -0.57 -0.4777 -0.8191 3187426 PK04_095134 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G17 compound treatment 0.0179 0.0184 0.72 0.0098 0.00999 0.41 0.7969 0.9645 3067567 PK04_095135 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G18 compound treatment -0.0051 -0.0046 -0.18 -0.0081 -0.00798 -0.33 -0.358 -0.9598 3187525 PK04_095136 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G19 mock treatment 0.0049 0.0054 0.21 -0.0081 -0.00798 -0.33 -0.0825 -0.2121 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G20 mock treatment -0.0201 -0.0196 -0.76 0.0099 0.01 0.41 -0.249 -0.2875 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G21 compound treatment 0.0029 0.0034 0.13 -0.0101 -0.01 -0.41 -0.1965 -0.4557 3187167 PK04_095137 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G22 compound treatment -0.0091 -0.00858 -0.33 -0.0081 -0.00801 -0.33 -0.4685 -1.0 3187174 PK04_095138 COc1ccccc1CN2[C@H]([C@H](C(=O)NC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G23 compound treatment -0.0041 -0.0036 -0.14 -0.0051 -0.00498 -0.2 -0.2435 -0.9831 3068478 PK04_095139 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 G24 compound treatment -0.0261 -0.0256 -1.0 -0.0162 -0.016 -0.66 -1.1688 -0.9795 3068471 PK04_095140 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H01 compound treatment -0.0011 -5.98E-4 -0.02 -0.0092 -0.00901 -0.37 -0.2777 -0.7502 3068149 PK04_095141 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H02 compound treatment -0.0171 -0.0166 -0.65 0.0129 0.013 0.53 -0.0804 -0.0961 3068236 PK04_095142 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H03 mock treatment -1.0E-4 4.03E-4 0.02 -0.0072 -0.00701 -0.29 -0.1922 -0.6675 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H04 mock treatment -0.0061 -0.00558 -0.22 -0.0052 -0.00501 -0.21 -0.299 -0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H05 compound treatment -0.0041 -0.0036 -0.14 0.0029 0.00302 0.12 -0.0116 -0.0623 3187083 PK04_095143 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H06 compound treatment -0.0011 -6.0E-4 -0.02 -0.0111 -0.011 -0.45 -0.3348 -0.7428 3068265 PK04_095144 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H07 compound treatment 9.0E-4 0.0014 0.05 0.0109 0.011 0.45 0.357 0.7872 3068458 PK04_095145 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H08 compound treatment -0.0171 -0.0166 -0.65 -0.0061 -0.00598 -0.25 -0.6307 -0.9119 3068401 PK04_095146 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H09 compound treatment -0.0051 -0.0046 -0.18 -0.0172 -0.017 -0.7 -0.6198 -0.8608 3187071 PK04_095147 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H10 compound treatment -0.0061 -0.0056 -0.22 0.0118 0.012 0.49 0.1931 0.3593 3068139 PK04_095148 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H11 compound treatment -0.0081 -0.00758 -0.3 -0.0031 -0.00298 -0.12 -0.2952 -0.9239 3187589 PK04_095149 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H12 compound treatment -0.0631 -0.0626 -2.44 -0.0702 -0.0701 -2.87 -3.7543 -0.9967 3186627 PK04_095150 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H13 compound treatment -1.0E-4 4.03E-4 0.02 -0.0192 -0.019 -0.78 -0.54 -0.6927 3187261 PK04_095151 CC(C)N1[C@H]([C@H](C(=O)NC2CC2)c3ccccc3C1=O)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H14 compound treatment -0.0011 -5.97E-4 -0.02 -0.0041 -0.00398 -0.16 -0.1318 -0.7999 3186980 PK04_095152 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H15 compound treatment -0.0011 -5.97E-4 -0.02 -0.0011 -9.81E-4 -0.04 -0.0449 -0.9662 3187166 PK04_095153 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H16 compound treatment -0.0111 -0.0106 -0.41 -0.0111 -0.011 -0.45 -0.6103 -0.9991 3186978 PK04_095154 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H17 compound treatment 0.0049 0.0054 0.21 -0.0051 -0.00498 -0.2 0.0044 0.015 3187349 PK04_095155 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCCN(C)C)c3ccccc3C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H18 compound treatment -0.0141 -0.0136 -0.53 -0.0172 -0.017 -0.7 -0.8672 -0.9907 3068412 PK04_095156 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H19 mock treatment -0.0021 -0.0016 -0.06 -0.0061 -0.00598 -0.25 -0.2174 -0.8593 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H20 mock treatment -0.0091 -0.00858 -0.33 -0.0122 -0.012 -0.49 -0.5845 -0.9822 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H21 compound treatment -0.0081 -0.00758 -0.3 -0.0101 -0.01 -0.41 -0.4989 -0.9869 3187512 PK04_095157 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H22 compound treatment -0.0121 -0.0116 -0.45 -0.0121 -0.012 -0.49 -0.6662 -0.9991 3186806 PK04_095158 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H23 compound treatment -0.0101 -0.00958 -0.37 0.0099 0.01 0.41 0.0264 0.0476 3068599 PK04_095159 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NC4CC4)c5ccccc5C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 H24 compound treatment -0.0121 -0.0116 -0.45 -0.0171 -0.017 -0.7 -0.8117 -0.9781 3187586 PK04_095160 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I01 compound treatment 0.0089 0.00942 0.37 0.0029 0.00302 0.12 0.347 0.8957 3187165 PK04_095161 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I02 compound treatment -0.0141 -0.0136 -0.53 -0.0061 -0.00598 -0.25 -0.5475 -0.9389 3068418 PK04_095162 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I03 compound treatment 0.0089 0.00942 0.37 0.0059 0.00601 0.25 0.4338 0.9812 3187178 PK04_095163 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I04 compound treatment -0.0171 -0.0166 -0.65 -0.0181 -0.018 -0.74 -0.9787 -0.9978 3068019 PK04_095164 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I05 mock treatment -0.0121 -0.0116 -0.45 0.0149 0.015 0.61 0.1153 0.1513 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I06 mock treatment -0.0071 -0.0066 -0.26 -0.0031 -0.00299 -0.12 -0.2683 -0.9425 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I07 compound treatment 0.0029 0.0034 0.13 0.0118 0.012 0.49 0.4411 0.8669 3068542 PK04_095165 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3Cc4ccccc4C3)C(=O)c5ccccc25)c6ccc(CO)cc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I08 compound treatment -0.0031 -0.0026 -0.1 -0.0132 -0.013 -0.53 -0.4487 -0.8265 3187345 PK04_095166 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I09 compound treatment 0.0039 0.00442 0.17 -0.0121 -0.012 -0.49 -0.2254 -0.4331 3067971 PK04_095167 CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I10 compound treatment -0.0021 -0.0016 -0.06 0.0039 0.00402 0.16 0.0724 0.4113 3068641 PK04_095168 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I11 compound treatment -0.0041 -0.00358 -0.14 0.0059 0.00602 0.25 0.0758 0.2675 3187358 PK04_095169 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I12 compound treatment -0.0011 -5.97E-4 -0.02 -0.0162 -0.016 -0.66 -0.4805 -0.7317 3068653 PK04_095170 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I13 compound treatment 0.0139 0.0144 0.56 0.0019 0.00201 0.08 0.4557 0.8023 3067962 PK04_095171 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I14 compound treatment -0.0011 -5.97E-4 -0.02 -0.0091 -0.00898 -0.37 -0.2768 -0.7503 3068606 PK04_095172 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I15 compound treatment -0.0151 -0.0146 -0.57 -0.0041 -0.00398 -0.16 -0.5171 -0.875 3068476 PK04_095173 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I16 compound treatment -0.0181 -0.0176 -0.68 -0.0081 -0.00798 -0.33 -0.7156 -0.9429 3186417 PK04_095174 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I17 compound treatment 0.0089 0.00942 0.37 -0.0141 -0.014 -0.57 -0.1465 -0.215 3187268 PK04_095175 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I18 compound treatment 0.0089 0.00942 0.37 -0.0181 -0.018 -0.74 -0.2624 -0.3183 3187264 PK04_095176 CC(C)N1[C@H]([C@H](C(=O)NCC(F)(F)F)c2ccccc2C1=O)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I19 compound treatment 0.0039 0.0044 0.17 0.0188 0.019 0.78 0.6715 0.8428 3186499 PK04_095177 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I20 compound treatment -0.0031 -0.0026 -0.1 -0.0081 -0.00798 -0.33 -0.3029 -0.8845 3068422 PK04_095178 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I21 mock treatment 0.0109 0.0114 0.44 -0.0152 -0.015 -0.62 -0.1204 -0.1586 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I22 mock treatment -0.0041 -0.0036 -0.14 9.0E-4 0.00102 0.04 -0.0697 -0.4766 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I23 compound treatment 0.0079 0.0084 0.33 9.0E-4 0.00102 0.04 0.2609 0.7906 3068550 PK04_095179 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(C)C)C(=O)c3ccccc23)c4ccc(CO)cc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 I24 compound treatment -0.0091 -0.00858 -0.33 -0.0321 -0.032 -1.31 -1.164 -0.8598 3187258 PK04_095180 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4Cc5ccccc5C4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J01 compound treatment -0.0031 -0.0026 -0.1 -0.0121 -0.012 -0.49 -0.4197 -0.835 3187273 PK04_095181 CC(C)CNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J02 compound treatment -0.0681 -0.0676 -2.63 -0.0462 -0.046 -1.89 -3.1951 -0.9867 3186630 PK04_095182 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J03 compound treatment -0.0071 -0.00658 -0.26 -0.0252 -0.0251 -1.03 -0.9075 -0.8572 3187353 PK04_095183 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(=O)c3ccccc32)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J04 compound treatment -0.0021 -0.0016 -0.06 -0.0062 -0.00601 -0.25 -0.2183 -0.8588 3187588 PK04_095184 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)O)c3ccccc3C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J05 mock treatment -0.0061 -0.0056 -0.22 -0.0011 -9.84E-4 -0.04 -0.1827 -0.8239 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J06 mock treatment -0.0061 -0.0056 -0.22 0.0039 0.00402 0.16 -0.0378 -0.1385 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J07 compound treatment -0.0011 -5.97E-4 -0.02 -0.0091 -0.00898 -0.37 -0.2768 -0.7503 3186420 PK04_095185 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J08 compound treatment -0.0051 -0.0046 -0.18 -0.0162 -0.016 -0.66 -0.5907 -0.8683 3186722 PK04_095186 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J09 compound treatment -0.0021 -0.0016 -0.06 -0.0091 -0.00899 -0.37 -0.3044 -0.815 3186426 PK04_095187 CC(C)NC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J10 compound treatment -0.0491 -0.0486 -1.89 -0.0532 -0.053 -2.17 -2.8745 -0.9976 3186639 PK04_095188 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J11 compound treatment -0.0021 -0.0016 -0.06 -0.0031 -0.00298 -0.12 -0.1305 -0.9509 3187270 PK04_095189 CC(C)NC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J12 compound treatment -0.0221 -0.0216 -0.84 -0.0152 -0.015 -0.62 -1.0301 -0.9883 3067980 PK04_095190 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J13 compound treatment -0.0301 -0.0296 -1.15 -0.0132 -0.013 -0.53 -1.192 -0.9387 3186421 PK04_095191 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J14 compound treatment -0.0091 -0.00858 -0.33 -0.0121 -0.012 -0.49 -0.5836 -0.9824 3068150 PK04_095192 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J15 compound treatment 9.0E-4 0.0014 0.05 -0.0112 -0.011 -0.45 -0.2805 -0.617 3068598 PK04_095193 CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J16 compound treatment -0.0181 -0.0176 -0.68 -0.0312 -0.031 -1.27 -1.383 -0.9579 3068324 PK04_095194 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J17 compound treatment 0.0019 0.0024 0.09 -0.0232 -0.023 -0.94 -0.6007 -0.6338 3067973 PK04_095195 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCCN6CCOCC6)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J18 compound treatment -0.0111 -0.0106 -0.41 -0.0061 -0.00598 -0.25 -0.4654 -0.9691 3068414 PK04_095196 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J19 compound treatment 0.0089 0.0094 0.37 -0.0061 -0.00598 -0.25 0.0856 0.1942 3187085 PK04_095197 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J20 compound treatment 0.0019 0.0024 0.09 -0.0101 -0.00999 -0.41 -0.2232 -0.5316 3186884 PK04_095198 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J21 mock treatment 0.0039 0.0044 0.17 0.0049 0.00502 0.21 0.2666 0.996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J22 mock treatment 0.0019 0.0024 0.09 -0.0282 -0.028 -1.15 -0.7457 -0.6474 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J23 compound treatment -0.0131 -0.0126 -0.49 -0.0211 -0.021 -0.86 -0.9554 -0.9643 3187082 PK04_095199 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 J24 compound treatment -0.0591 -0.0586 -2.28 -0.0672 -0.067 -2.75 -3.5563 -0.9958 3068227 PK04_095200 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K01 compound treatment 0.0079 0.00842 0.33 -0.0041 -0.00398 -0.16 0.1166 0.3181 3187514 PK04_095201 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NC6CC6)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K02 compound treatment -0.0051 -0.00456 -0.18 -0.0132 -0.0131 -0.54 -0.5041 -0.8937 3187168 PK04_095202 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccc(OC(F)(F)F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K03 compound treatment 0.0139 0.0144 0.56 0.0078 0.00799 0.33 0.6287 0.9669 3068143 PK04_095203 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC5CC5)c6ccccc6C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K04 compound treatment -0.0051 -0.0046 -0.18 -0.0021 -0.00198 -0.08 -0.1842 -0.9362 3187275 PK04_095204 CN(C)CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K05 compound treatment -0.0081 -0.0076 -0.3 0.0019 0.00202 0.08 -0.1509 -0.491 3187271 PK04_095205 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K06 compound treatment -0.0011 -5.97E-4 -0.02 -0.0061 -0.00598 -0.25 -0.1899 -0.7707 3186561 PK04_095206 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K07 mock treatment -0.0301 -0.0296 -1.15 0.0059 0.00602 0.25 -0.6405 -0.5435 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K08 mock treatment -0.0121 -0.0116 -0.45 -1.0E-4 1.55E-5 0.0 -0.3185 -0.7061 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K09 compound treatment -0.0171 -0.0166 -0.65 -0.0101 -0.00998 -0.41 -0.746 -0.9757 3068519 PK04_095207 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K10 compound treatment -0.0051 -0.0046 -0.18 -0.0021 -0.00198 -0.08 -0.1842 -0.9362 3068466 PK04_095208 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K11 compound treatment -0.0031 -0.0026 -0.1 -0.0061 -0.00598 -0.25 -0.245 -0.9234 3068556 PK04_095209 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K12 compound treatment -0.0241 -0.0236 -0.92 -0.0292 -0.029 -1.19 -1.4909 -0.9918 3067978 PK04_095210 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)O)c6ccc(cc6)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K13 compound treatment -0.0311 -0.0306 -1.19 -0.0101 -0.00998 -0.41 -1.1317 -0.8985 3068499 PK04_095211 COCCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K14 compound treatment 0.0039 0.0044 0.17 -0.0091 -0.00898 -0.37 -0.1391 -0.3424 3068588 PK04_095212 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K15 mock treatment 0.0119 0.0124 0.48 9.0E-4 0.00102 0.04 0.3717 0.7651 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K16 mock treatment 0.0039 0.0044 0.17 0.0049 0.00502 0.21 0.2666 0.9959 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K17 compound treatment -0.0191 -0.0186 -0.72 -0.0161 -0.016 -0.66 -0.975 -0.9988 3068009 PK04_095213 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K18 compound treatment 0.0019 0.0024 0.09 -0.0222 -0.022 -0.9 -0.5718 -0.6304 3186498 PK04_095214 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCCN(C)C)c5ccccc5C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K19 compound treatment -0.0081 -0.0076 -0.3 -0.0181 -0.018 -0.74 -0.7313 -0.9195 3068472 PK04_095215 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K20 compound treatment -0.0181 -0.0176 -0.68 -0.0101 -0.00998 -0.41 -0.7736 -0.9697 3187259 PK04_095216 COCCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K21 compound treatment -0.0121 -0.0116 -0.45 -0.0202 -0.02 -0.82 -0.899 -0.9603 3187078 PK04_095217 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K22 compound treatment -0.0031 -0.0026 -0.1 -0.0061 -0.00598 -0.25 -0.245 -0.9234 3068508 PK04_095218 COc1ccccc1CN2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K23 mock treatment -0.0441 -0.0436 -1.7 -0.0062 -0.00601 -0.25 -1.3748 -0.8014 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 K24 mock treatment -0.0141 -0.0136 -0.53 -1.0E-4 1.55E-5 0.0 -0.3736 -0.7063 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L01 compound treatment -0.0091 -0.0086 -0.33 0.0109 0.011 0.45 0.0824 0.1465 3187175 PK04_095219 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCCN(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L02 compound treatment -0.0031 -0.0026 -0.1 0.0049 0.00502 0.21 0.0738 0.3221 3186714 PK04_095220 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L03 compound treatment 0.0049 0.0054 0.21 0.0089 0.00902 0.37 0.4101 0.9644 3067967 PK04_095221 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCc3ccccc3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L04 compound treatment -0.2212 -0.221 -8.6 -0.2607 -0.261 -10.68 -13.6287 -0.9942 3186429 PK04_095222 CC(C)CN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L05 compound treatment -0.0031 -0.0026 -0.1 -1.0E-4 1.55E-5 0.0 -0.0711 -0.7026 3068540 PK04_095223 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L06 compound treatment 0.0159 0.0164 0.64 -0.0031 -0.00298 -0.12 0.3665 0.562 3186551 PK04_095224 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L07 mock treatment -0.0031 -0.0026 -0.1 -0.0031 -0.00298 -0.12 -0.158 -0.9956 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L08 mock treatment 0.0019 0.0024 0.09 -0.0132 -0.013 -0.53 -0.311 -0.5742 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L09 compound treatment 0.0139 0.0144 0.56 0.0098 0.00999 0.41 0.6867 0.9879 3187518 PK04_095225 CN(C)CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L10 compound treatment -0.0151 -0.0146 -0.57 0.0089 0.00899 0.37 -0.1412 -0.2086 3068144 PK04_095226 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCc5ccccc5)c6ccccc6C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L11 compound treatment 0.0099 0.0104 0.41 0.0149 0.015 0.61 0.7208 0.9797 3187076 PK04_095227 COCCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L12 compound treatment 9.0E-4 0.0014 0.05 9.0E-4 0.00102 0.04 0.0681 0.991 3068313 PK04_095228 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L13 compound treatment 0.0049 0.0054 0.21 -0.0011 -9.84E-4 -0.04 0.1203 0.5614 3187347 PK04_095229 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(C)C)C(=O)c3ccccc32)c4ccc(CO)cc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L14 compound treatment -0.0061 -0.0056 -0.22 -0.0072 -0.00706 -0.29 -0.3589 -0.9902 3068194 PK04_095230 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(C)C)C4=O)c6ccccc6C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L15 mock treatment 0.0179 0.0184 0.72 0.0039 0.00402 0.16 0.6239 0.8472 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L16 mock treatment 0.0039 0.0044 0.17 -0.0031 -0.00298 -0.12 0.0348 0.1652 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L17 compound treatment 0.0179 0.0184 0.72 0.0149 0.015 0.61 0.9418 0.997 3068510 PK04_095231 COc1ccccc1CN2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L18 compound treatment 0.0109 0.0114 0.45 -0.0081 -0.00798 -0.33 0.0834 0.151 3068263 PK04_095232 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3I)Sc4ccc(C)cc4)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L19 compound treatment 0.0089 0.00942 0.37 -0.0011 -9.84E-4 -0.04 0.2311 0.6256 3067958 PK04_095233 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L20 compound treatment 0.0049 0.00542 0.21 -0.0081 -0.00798 -0.33 -0.0819 -0.2103 3068403 PK04_095234 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L21 compound treatment -0.0081 -0.00758 -0.3 9.0E-4 0.00102 0.04 -0.1793 -0.6015 3187163 PK04_095235 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3cc(F)cc(c3)C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L22 compound treatment -0.0271 -0.0266 -1.03 -0.0332 -0.0331 -1.36 -1.6898 -0.9911 3186433 PK04_095236 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CC(F)(F)F)c2c1)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L23 mock treatment 0.0199 0.0204 0.8 0.0079 0.00801 0.33 0.7948 0.9234 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 L24 mock treatment 0.0089 0.00944 0.37 0.0118 0.012 0.49 0.6075 0.9899 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M01 compound treatment 0.0199 0.0204 0.8 0.0199 0.02 0.82 1.1418 0.9999 3187444 PK04_095237 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M02 compound treatment -0.0121 -0.0116 -0.45 0.0029 0.00302 0.12 -0.231 -0.4947 3068593 PK04_095238 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NC3CC3)c4ccccc4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M03 compound treatment 0.0149 0.0154 0.6 0.0199 0.02 0.82 1.004 0.9884 3187441 PK04_095239 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M04 compound treatment 0.0199 0.0204 0.8 0.0159 0.016 0.66 1.0259 0.9953 3068649 PK04_095240 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M05 compound treatment 0.0069 0.00742 0.29 0.0049 0.00502 0.21 0.3498 0.986 3068152 PK04_095241 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M06 compound treatment 0.0099 0.0104 0.41 0.0149 0.015 0.61 0.7214 0.9798 3068655 PK04_095242 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M07 compound treatment 0.0089 0.00942 0.37 0.0089 0.00899 0.37 0.52 1.0 3068005 PK04_095243 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M08 compound treatment 9.0E-4 0.00142 0.06 -0.0031 -0.00298 -0.12 -0.0473 -0.3522 3187084 PK04_095244 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M09 mock treatment 0.0059 0.00642 0.25 0.0109 0.011 0.45 0.4953 0.9616 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M10 mock treatment -0.0091 -0.00858 -0.33 -0.0101 -0.01 -0.41 -0.5265 -0.9948 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M11 compound treatment 0.0109 0.0114 0.45 -0.0011 -9.84E-4 -0.04 0.2862 0.6404 3186422 PK04_095245 CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M12 compound treatment 0.0099 0.0104 0.41 -0.0031 -0.00298 -0.12 0.2006 0.4731 3068142 PK04_095246 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M13 mock treatment 0.0029 0.0034 0.13 -0.0011 -9.84E-4 -0.04 0.0652 0.4706 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M14 mock treatment 0.0119 0.0124 0.48 0.0129 0.013 0.53 0.7185 0.9989 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M15 compound treatment 0.0099 0.0104 0.41 -0.0081 -0.00798 -0.33 0.0557 0.1069 3068557 PK04_095247 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5CCCCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M16 compound treatment 0.0029 0.0034 0.13 -0.0202 -0.02 -0.82 -0.4862 -0.5852 3187170 PK04_095248 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M17 compound treatment 0.0019 0.0024 0.09 0.0098 0.00999 0.41 0.3556 0.847 3187431 PK04_095249 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M18 compound treatment 0.0069 0.00742 0.29 0.0078 0.00794 0.33 0.4344 0.9983 3187074 PK04_095250 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M19 compound treatment 0.0169 0.0174 0.68 0.0059 0.00602 0.25 0.6543 0.906 3068552 PK04_095251 CC(C)NC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M20 compound treatment -0.0021 -0.0016 -0.06 -1.0E-4 1.55E-5 0.0 -0.0436 -0.6998 3068014 PK04_095252 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)O)c5ccccc5C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M21 compound treatment 0.0069 0.0074 0.29 9.0E-4 0.00101 0.04 0.2333 0.8006 3187086 PK04_095253 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M22 compound treatment 0.0069 0.0074 0.29 0.0019 0.00202 0.08 0.2623 0.8745 3187428 PK04_095254 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M23 compound treatment 0.0089 0.00942 0.37 -0.0111 -0.011 -0.45 -0.0587 -0.1011 3187081 PK04_095255 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 M24 compound treatment -0.0171 -0.0166 -0.65 -0.0151 -0.015 -0.61 -0.8909 -0.9997 3068003 PK04_095256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N01 compound treatment -0.0191 -0.0186 -0.72 9.0E-4 0.00102 0.04 -0.4824 -0.6653 3187360 PK04_095257 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N02 compound treatment -0.0871 -0.0866 -3.37 -0.0882 -0.0881 -3.61 -4.9365 -0.9994 3068231 PK04_095258 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N03 compound treatment 0.0019 0.0024 0.09 -0.0171 -0.017 -0.7 -0.4268 -0.6067 3068544 PK04_095259 CC(C)NC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N04 compound treatment -0.0541 -0.0536 -2.09 -0.0572 -0.0571 -2.34 -3.1291 -0.9984 3187527 PK04_095260 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)O)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N05 compound treatment -0.0041 -0.0036 -0.14 -0.0031 -0.00298 -0.12 -0.1855 -0.9977 3187260 PK04_095261 CCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N06 compound treatment -0.0411 -0.0406 -1.58 -0.0352 -0.035 -1.44 -2.1325 -0.9989 3186724 PK04_095262 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N07 compound treatment -0.0251 -0.0246 -0.96 -0.0101 -0.00998 -0.41 -0.9664 -0.9281 3068501 PK04_095263 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N08 compound treatment -0.0381 -0.0376 -1.46 -0.0132 -0.013 -0.53 -1.4129 -0.9066 3186871 PK04_095264 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N09 mock treatment -0.0381 -0.0376 -1.46 -0.0302 -0.03 -1.23 -1.905 -0.9962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N10 mock treatment -0.0081 -0.0076 -0.3 -0.0071 -0.00698 -0.29 -0.4117 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N11 compound treatment -0.0171 -0.0166 -0.65 -0.0222 -0.022 -0.9 -1.0946 -0.9866 3187070 PK04_095265 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N12 compound treatment -0.0141 -0.0136 -0.53 -0.0041 -0.00398 -0.16 -0.4894 -0.8841 3186804 PK04_095266 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N13 mock treatment 0.0039 0.0044 0.17 -0.0141 -0.014 -0.57 -0.2848 -0.4752 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N14 mock treatment -1.0E-4 4.03E-4 0.02 -0.0152 -0.015 -0.62 -0.424 -0.6889 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N15 compound treatment -0.0161 -0.0156 -0.61 0.0069 0.00699 0.29 -0.2267 -0.3379 3186424 PK04_095267 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCCN6CCOCC6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N16 compound treatment -0.0691 -0.0686 -2.67 -0.0872 -0.087 -3.57 -4.4113 -0.9899 3068226 PK04_095268 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N17 compound treatment -0.0121 -0.0116 -0.45 -0.0211 -0.021 -0.86 -0.9284 -0.9547 3068455 PK04_095269 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N18 compound treatment -0.1252 -0.125 -4.86 -0.1377 -0.138 -5.64 -7.4202 -0.9973 3068137 PK04_095270 CN(C)CCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N19 compound treatment -0.0141 -0.0136 -0.53 -0.0202 -0.02 -0.82 -0.954 -0.9775 3068647 PK04_095271 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N20 compound treatment -0.0241 -0.0236 -0.92 -0.0162 -0.016 -0.66 -1.1142 -0.9865 3186492 PK04_095272 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N21 compound treatment 0.0159 0.0164 0.64 -0.0021 -0.00199 -0.08 0.3948 0.6122 3067959 PK04_095273 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N22 compound treatment -0.0171 -0.0166 -0.65 -0.0272 -0.027 -1.11 -1.2401 -0.967 3187526 PK04_095274 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)O)c3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N23 compound treatment 0.0039 0.0044 0.17 -0.0121 -0.012 -0.49 -0.2269 -0.4351 3068468 PK04_095275 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 N24 compound treatment -0.2072 -0.207 -8.05 -0.2317 -0.232 -9.49 -12.4025 -0.9967 3068222 PK04_095276 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O01 compound treatment 0.0069 0.00742 0.29 0.0138 0.014 0.57 0.6097 0.9499 3068590 PK04_095277 CC(C)NC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O02 compound treatment 0.0109 0.0114 0.45 0.0039 0.00402 0.16 0.4311 0.9086 3067977 PK04_095278 COCCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O03 compound treatment 0.0149 0.0154 0.6 -0.0031 -0.00298 -0.12 0.3384 0.5519 3068512 PK04_095279 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O04 compound treatment 0.0089 0.00942 0.37 0.0039 0.00402 0.16 0.376 0.9345 3068637 PK04_095280 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O05 compound treatment 0.0139 0.0144 0.56 -1.0E-4 1.55E-5 0.0 0.3978 0.7079 3068459 PK04_095281 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O06 compound treatment 0.0069 0.00742 0.29 9.0E-4 0.00102 0.04 0.2339 0.8006 3187520 PK04_095282 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O07 compound treatment -0.0061 -0.0056 -0.22 0.0049 0.00499 0.2 -0.0098 -0.0327 3186989 PK04_095283 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O08 compound treatment 0.0129 0.0134 0.52 -0.0051 -0.00498 -0.2 0.2253 0.4014 3187364 PK04_095284 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O09 compound treatment 0.0069 0.00742 0.29 0.0019 0.00202 0.08 0.2629 0.8741 3068604 PK04_095285 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O10 compound treatment -0.0071 -0.0066 -0.26 -0.0152 -0.015 -0.62 -0.6168 -0.925 3187362 PK04_095286 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O11 mock treatment 0.0049 0.0054 0.21 -0.0141 -0.014 -0.57 -0.2564 -0.42 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O12 mock treatment 0.0069 0.0074 0.29 -0.0192 -0.019 -0.78 -0.3471 -0.4177 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O13 compound treatment 0.0019 0.0024 0.09 0.0059 0.00602 0.25 0.2405 0.912 3068644 PK04_095287 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O14 compound treatment 0.0019 0.0024 0.09 0.0029 0.00302 0.12 0.1536 0.9906 3068464 PK04_095288 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O15 compound treatment 0.0219 0.0224 0.87 -0.0011 -9.84E-4 -0.04 0.5898 0.6738 3187516 PK04_095289 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCc6ccccc6)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O16 compound treatment -0.0031 -0.0026 -0.1 0.0069 0.00699 0.29 0.1308 0.4309 3187164 PK04_095290 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O17 compound treatment 0.0059 0.00642 0.25 0.0059 0.00602 0.25 0.3513 1.0 3187177 PK04_095291 CC(C)CNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O18 compound treatment 0.0039 0.00442 0.17 -0.0211 -0.021 -0.86 -0.4871 -0.5546 3068546 PK04_095292 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O19 compound treatment -0.0041 -0.0036 -0.14 -0.0111 -0.011 -0.45 -0.4175 -0.8854 3187256 PK04_095293 CC(C)CNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O20 compound treatment -0.0131 -0.0126 -0.49 -0.0101 -0.00998 -0.41 -0.6364 -0.9959 3187088 PK04_095294 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O21 compound treatment 0.0159 0.0164 0.64 -0.0112 -0.011 -0.45 0.1332 0.1701 3186494 PK04_095295 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(C)C)c5ccccc5C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O22 compound treatment 0.0139 0.0144 0.56 -0.0011 -9.87E-4 -0.04 0.3687 0.6545 3187161 PK04_095296 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O23 compound treatment 0.0179 0.0184 0.72 -0.0092 -0.00901 -0.37 0.2463 0.3051 3187267 PK04_095297 CC(C)CNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 O24 compound treatment -0.0081 -0.0076 -0.3 -0.0232 -0.023 -0.94 -0.8763 -0.8864 3068502 PK04_095298 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P01 compound treatment -0.0551 -0.0546 -2.13 -0.0282 -0.028 -1.15 -2.3154 -0.9581 3068591 PK04_095299 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2CC4(CC5CC6CC(C5)C4)C6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P02 compound treatment -0.0141 -0.0136 -0.53 -0.0181 -0.018 -0.74 -0.8957 -0.9869 3187521 PK04_095300 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P03 compound treatment -0.0141 -0.0136 -0.53 -0.0041 -0.00398 -0.16 -0.4895 -0.8842 3186990 PK04_095301 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P04 compound treatment -0.0171 -0.0166 -0.65 -0.0302 -0.03 -1.23 -1.327 -0.9549 3186985 PK04_095302 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P05 compound treatment -0.0131 -0.0126 -0.49 -0.0272 -0.027 -1.11 -1.13 -0.933 3067579 PK04_095303 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c6ccc(cc6)[N+](=O)[O-])c(I)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P06 compound treatment -0.0131 -0.0126 -0.49 -0.0321 -0.032 -1.31 -1.2748 -0.91 3186975 PK04_095304 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P07 compound treatment -0.0291 -0.0286 -1.11 -0.0272 -0.027 -1.11 -1.5701 -1.0 3068548 PK04_095305 CC(C)CNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P08 compound treatment -0.1212 -0.121 -4.7 -0.1307 -0.131 -5.35 -7.1066 -0.9979 3067563 PK04_095306 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CCN5CCOCC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P09 compound treatment -0.0201 -0.0196 -0.76 -0.0362 -0.036 -1.48 -1.583 -0.9528 3067961 PK04_095307 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P10 compound treatment -0.1502 -0.15 -5.83 -0.0522 -0.0521 -2.13 -5.6317 -0.907 3068015 PK04_095308 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P11 mock treatment -0.0311 -0.0306 -1.19 -0.0432 -0.043 -1.76 -2.0888 -0.9818 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P12 mock treatment -0.0351 -0.0346 -1.35 -0.0332 -0.0331 -1.36 -1.9107 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P13 compound treatment -0.0181 -0.0176 -0.68 -0.0362 -0.036 -1.48 -1.5279 -0.9391 3187510 PK04_095309 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P14 compound treatment -0.0111 -0.0106 -0.41 -0.0282 -0.028 -1.15 -1.1032 -0.9041 3186495 PK04_095310 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCN5CCOCC5)c6ccccc6C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P15 compound treatment -0.0281 -0.0276 -1.07 -0.0251 -0.025 -1.03 -1.4846 -0.9997 3187437 PK04_095311 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P16 compound treatment -0.0531 -0.0526 -2.05 -0.0632 -0.0631 -2.58 -3.2754 -0.9934 3186625 PK04_095312 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C(C)C)C4=O)c6ccccc6C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P17 compound treatment -0.0171 -0.0166 -0.65 -0.0462 -0.046 -1.89 -1.7902 -0.8981 3068541 PK04_095313 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P18 compound treatment -0.0391 -0.0386 -1.5 -0.0272 -0.027 -1.11 -1.8456 -0.9888 3186878 PK04_095314 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NC6CC6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P19 compound treatment -0.0211 -0.0206 -0.8 -0.0232 -0.023 -0.94 -1.2338 -0.9967 3187513 PK04_095315 CC(C)CNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P20 compound treatment -0.0231 -0.0226 -0.88 -0.0232 -0.0231 -0.95 -1.2898 -0.9993 3068271 PK04_095316 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCc6ccccc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P21 compound treatment -0.0211 -0.0206 -0.8 -0.0192 -0.019 -0.78 -1.1179 -0.9999 3068008 PK04_095317 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P22 compound treatment -0.0401 -0.0396 -1.54 -0.0352 -0.0351 -1.44 -2.1059 -0.9994 3068262 PK04_095318 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P23 compound treatment -0.0331 -0.0326 -1.27 -0.0162 -0.016 -0.66 -1.3615 -0.9529 3068469 PK04_095319 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2095 P24 compound treatment -1.0E-4 4.43E-4 0.02 -0.0242 -0.024 -0.98 -0.6837 -0.6946 3186794 PK04_095320 CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A01 compound treatment -0.0168 -0.0155 -0.6 0.0096 0.0097 0.4 -0.1455 -0.2014 3186490 PK04_096001 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A02 compound treatment -0.1008 -0.0995 -3.88 -0.1135 -0.113 -4.65 -6.027 -0.996 3186641 PK04_096002 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A03 compound treatment -0.0018 -5.19E-4 -0.02 -0.0215 -0.0213 -0.87 -0.6322 -0.7233 3068261 PK04_096003 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A04 compound treatment -0.0138 -0.0125 -0.49 -0.0255 -0.0253 -1.04 -1.0776 -0.9403 3186971 PK04_096004 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A05 compound treatment -0.0068 -0.00552 -0.21 -0.0044 -0.00431 -0.18 -0.2768 -0.9952 3186883 PK04_096005 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A06 compound treatment -0.0248 -0.0235 -0.91 -0.0285 -0.0283 -1.16 -1.4676 -0.993 3068309 PK04_096006 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A07 compound treatment 0.0052 0.0065 0.25 -0.0285 -0.0283 -1.16 -0.6418 -0.5401 3186716 PK04_096007 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A08 compound treatment -0.0048 -0.00352 -0.14 -0.0104 -0.0103 -0.42 -0.3961 -0.8906 3068367 PK04_096008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)Sc6ccc(C)cc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A09 compound treatment -0.1722 -0.171 -6.66 -0.1585 -0.158 -6.49 -9.2969 -0.9999 3068224 PK04_096009 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A10 compound treatment -0.3592 -0.358 -13.94 -0.4065 -0.406 -16.65 -21.6357 -0.9961 3186633 PK04_096010 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5C(F)(F)F)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A11 compound treatment -0.0048 -0.00352 -0.14 -0.0075 -0.00732 -0.3 -0.3092 -0.937 3186986 PK04_096011 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A12 compound treatment -0.3282 -0.327 -12.74 -0.3045 -0.304 -12.47 -17.8264 -0.9999 3186640 PK04_096012 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A13 mock treatment -0.0188 -0.0175 -0.68 -0.0124 -0.0123 -0.5 -0.8397 -0.9888 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A14 mock treatment -0.0158 -0.0145 -0.56 -0.0034 -0.00332 -0.14 -0.4952 -0.8534 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A15 compound treatment -0.0068 -0.00552 -0.22 -0.0064 -0.0063 -0.26 -0.3347 -0.9958 3186881 PK04_096013 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A16 compound treatment -0.0138 -0.0125 -0.49 -0.0044 -0.0043 -0.18 -0.4685 -0.9059 3186790 PK04_096014 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A17 compound treatment -0.0818 -0.0805 -3.14 -0.0905 -0.0904 -3.7 -4.8376 -0.9966 3186485 PK04_096015 CC(C)CN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A18 compound treatment -0.0808 -0.0795 -3.1 -0.0825 -0.0824 -3.37 -4.5777 -0.9991 3186802 PK04_096016 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A19 compound treatment -0.0158 -0.0145 -0.57 -0.0124 -0.0123 -0.5 -0.7565 -0.9984 3068405 PK04_096017 CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A20 compound treatment -0.0068 -0.00552 -0.22 -0.0144 -0.0143 -0.59 -0.5671 -0.9072 3068141 PK04_096018 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A21 compound treatment -0.0898 -0.0885 -3.45 -0.0765 -0.0764 -3.13 -4.6507 -0.9988 3186624 PK04_096019 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5OC)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A22 compound treatment -0.3352 -0.334 -13.01 -0.3555 -0.355 -14.56 -19.4961 -0.9984 3068200 PK04_096020 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCCN(C)C)C4=O)c6ccccc6C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A23 compound treatment -0.0018 -5.19E-4 -0.02 -0.0014 -0.0013 -0.05 -0.052 -0.9119 3068358 PK04_096021 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 A24 compound treatment -0.0668 -0.0655 -2.55 -0.0645 -0.0644 -2.64 -3.6699 -0.9999 3068371 PK04_096022 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B01 compound treatment -0.0128 -0.0115 -0.45 6.0E-4 6.92E-4 0.03 -0.2973 -0.6611 3187511 PK04_096023 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCC(F)(F)F)c3ccc(cc3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B02 compound treatment -0.0618 -0.0605 -2.36 -0.0665 -0.0664 -2.72 -3.5906 -0.9975 3187030 PK04_096024 OCCCc1cc[n+](Cc2cccc(OC(F)(F)F)c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B03 compound treatment 0.0142 0.0155 0.6 0.0145 0.0147 0.6 0.8528 1.0 3187169 PK04_096025 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B04 compound treatment -0.0268 -0.0255 -0.99 -0.0255 -0.0254 -1.04 -1.4372 -0.9997 3068853 PK04_096026 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B05 compound treatment 0.0182 0.0195 0.76 0.0096 0.00969 0.4 0.8187 0.9541 3068457 PK04_096027 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B06 compound treatment -0.0168 -0.0155 -0.61 -0.0144 -0.0143 -0.59 -0.8426 -0.9999 3068854 PK04_096028 C[n+]1ccc2ccc(O)cc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B07 compound treatment 0.0072 0.00852 0.33 6.0E-4 6.95E-4 0.03 0.2549 0.765 3187352 PK04_096029 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCCN4CCOCC4)c5ccccc5C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B08 compound treatment 0.0142 0.0155 0.6 0.0095 0.00968 0.4 0.7074 0.9792 3187112 PK04_096030 COc1cc2CC[N+](=Cc2cc1O)Cc3cc4OCOc4cc3Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B09 compound treatment -0.0898 -0.0885 -3.45 -0.0705 -0.0704 -2.88 -4.4785 -0.996 3068505 PK04_096031 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B10 compound treatment -0.0768 -0.0755 -2.94 -0.0785 -0.0784 -3.21 -4.3522 -0.999 3068855 PK04_096032 C[n+]1ccc(CCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B11 compound treatment 0.0062 0.00748 0.29 0.0076 0.0077 0.32 0.4292 0.9992 3068374 PK04_096033 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B12 compound treatment -0.1442 -0.143 -5.57 -0.1265 -0.126 -5.18 -7.5988 -0.9993 3187113 PK04_096034 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C=C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B13 mock treatment 0.0102 0.0115 0.45 0.0236 0.0237 0.97 1.0035 0.9387 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B14 mock treatment 0.0172 0.0185 0.72 0.0056 0.0057 0.23 0.6753 0.8904 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B15 compound treatment 2.0E-4 0.00148 0.06 0.0086 0.0087 0.36 0.2928 0.8111 3187255 PK04_096035 COCCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B16 compound treatment -0.0038 -0.0025 -0.1 -0.0125 -0.0124 -0.51 -0.4268 -0.8279 3068856 PK04_096036 Oc1ccc2cc[n+](Cc3sc4ccccc4c3Cl)cc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B17 compound treatment -0.0108 -0.0095 -0.37 -0.0205 -0.0204 -0.83 -0.8521 -0.933 3068608 PK04_096037 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B18 compound treatment -0.0278 -0.0265 -1.03 -0.0285 -0.0284 -1.16 -1.5523 -0.9982 3187114 PK04_096038 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C5CC5)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B19 compound treatment 0.0122 0.0135 0.53 0.0135 0.0137 0.56 0.7688 0.9995 3187171 PK04_096039 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B20 compound treatment 0.0042 0.00548 0.21 0.0086 0.0087 0.36 0.403 0.97 3068857 PK04_096040 OCCCc1cc[n+](Cc2ccc(o2)[N+](=O)[O-])cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B21 compound treatment -0.0178 -0.0165 -0.64 -0.0085 -0.00837 -0.34 -0.6972 -0.9568 3068424 PK04_096041 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B22 compound treatment -0.1772 -0.176 -6.85 -0.1595 -0.159 -6.53 -9.4647 -0.9997 3187115 PK04_096042 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B23 compound treatment 0.0232 0.0245 0.96 0.0026 0.0027 0.11 0.7538 0.7837 3187072 PK04_096043 CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 B24 compound treatment -0.0338 -0.0325 -1.27 -0.0295 -0.0294 -1.2 -1.7471 -0.9997 3187116 PK04_096044 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)c3cccs3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C01 compound treatment -0.0788 -0.0775 -3.02 -0.0735 -0.0734 -3.01 -4.2618 -1.0 3068218 PK04_096045 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C02 compound treatment -0.3352 -0.334 -13.01 -0.3345 -0.334 -13.7 -18.8893 -0.9997 3186566 PK04_096046 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C03 compound treatment -0.0078 -0.00652 -0.25 -0.0024 -0.0023 -0.09 -0.2464 -0.9092 3186549 PK04_096047 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C04 compound treatment -0.0238 -0.0225 -0.88 -0.0415 -0.0414 -1.7 -1.8199 -0.9531 3186726 PK04_096048 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C05 compound treatment 0.0052 0.00652 0.25 -0.0175 -0.0173 -0.71 -0.3225 -0.4276 3186792 PK04_096049 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C06 compound treatment -0.0058 -0.00448 -0.17 0.0036 0.0037 0.15 -0.0163 -0.0706 3186987 PK04_096050 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C07 compound treatment -0.0078 -0.00652 -0.25 0.0046 0.00469 0.19 -0.0436 -0.1369 3068275 PK04_096051 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C08 compound treatment 0.0112 0.0125 0.49 0.0156 0.0157 0.64 0.7992 0.9908 3186560 PK04_096052 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C09 compound treatment -0.0168 -0.0155 -0.61 -0.0165 -0.0164 -0.67 -0.902 -0.9987 3068147 PK04_096053 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C10 compound treatment -0.0088 -0.00748 -0.29 0.0036 0.0037 0.15 -0.099 -0.3013 3186976 PK04_096054 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C11 mock treatment -0.0178 -0.0165 -0.64 -0.0225 -0.0224 -0.92 -1.1034 -0.9852 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C12 mock treatment 0.0062 0.00748 0.29 -0.0014 -0.0013 -0.05 0.1683 0.5679 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C13 compound treatment -0.0098 -0.00854 -0.33 -0.0034 -0.0033 -0.14 -0.331 -0.9215 3186974 PK04_096055 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C14 compound treatment -0.0678 -0.0665 -2.59 -0.0535 -0.0534 -2.19 -3.3798 -0.9964 3186876 PK04_096056 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C15 mock treatment -0.0098 -0.00852 -0.33 -0.0034 -0.0033 -0.14 -0.3304 -0.9218 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C16 mock treatment 0.0092 0.0105 0.41 0.0076 0.0077 0.32 0.5128 0.9916 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C17 compound treatment 0.0022 0.0035 0.14 0.0036 0.00368 0.15 0.203 0.9988 3186553 PK04_096057 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C18 compound treatment -0.2982 -0.297 -11.57 -0.3385 -0.338 -13.87 -17.9852 -0.9959 3186634 PK04_096058 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C19 compound treatment -0.1232 -0.122 -4.75 -0.1215 -0.121 -4.97 -6.8765 -0.9997 3186638 PK04_096059 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C20 compound treatment -0.3942 -0.393 -15.31 -0.3915 -0.391 -16.04 -22.1658 -0.9997 3068219 PK04_096060 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C21 compound treatment -0.0138 -0.0125 -0.49 5.0E-4 6.25E-4 0.03 -0.3274 -0.6691 3068151 PK04_096061 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C22 compound treatment -0.4302 -0.429 -16.71 -0.4305 -0.43 -17.64 -24.2876 -0.9996 3068158 PK04_096062 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C23 compound treatment -0.0068 -0.00552 -0.22 -0.0164 -0.0163 -0.67 -0.6251 -0.8896 3186800 PK04_096063 COCCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 C24 compound treatment 0.0022 0.00348 0.14 -0.0074 -0.0073 -0.3 -0.1158 -0.3523 3068376 PK04_096064 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D01 compound treatment -0.0408 -0.0395 -1.54 -0.0445 -0.0444 -1.82 -2.3746 -0.9966 3068407 PK04_096065 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D02 compound treatment -0.0478 -0.0465 -1.81 -0.0475 -0.0474 -1.94 -2.6543 -0.9994 3187117 PK04_096066 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D03 compound treatment -0.0098 -0.00848 -0.33 -0.0034 -0.0033 -0.14 -0.3293 -0.9225 3187274 PK04_096067 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D04 compound treatment -0.1352 -0.134 -5.22 -0.0475 -0.0474 -1.94 -5.0611 -0.9093 3068858 PK04_096068 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C=C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D05 compound treatment -0.0078 -0.00648 -0.25 0.0026 0.0027 0.11 -0.1003 -0.3638 3187075 PK04_096069 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D06 compound treatment -0.0088 -0.00752 -0.29 -0.0084 -0.00832 -0.34 -0.4483 -0.9971 3187118 PK04_096070 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D07 compound treatment 2.0E-4 0.00148 0.06 -0.0034 -0.00332 -0.14 -0.0555 -0.3753 3068634 PK04_096071 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D08 compound treatment -0.0398 -0.0385 -1.5 -0.0305 -0.0304 -1.24 -1.9402 -0.9957 3068859 PK04_096072 OCc1ccc(cc1)c2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D09 compound treatment -8.0E-4 4.81E-4 0.02 -0.0095 -0.00932 -0.38 -0.2569 -0.6716 3067975 PK04_096073 CC(C)NC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D10 compound treatment -0.0208 -0.0195 -0.76 -0.0075 -0.00732 -0.3 -0.7488 -0.9176 3068860 PK04_096074 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D11 mock treatment 0.0122 0.0135 0.53 0.0136 0.0137 0.56 0.7677 0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D12 mock treatment -0.0078 -0.00652 -0.25 6.0E-4 6.95E-4 0.03 -0.1594 -0.6239 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D13 compound treatment 0.0052 0.00648 0.25 -0.0065 -0.00632 -0.26 -0.0047 -0.0129 3187429 PK04_096075 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D14 compound treatment -0.0488 -0.0475 -1.85 -0.0155 -0.0154 -0.63 -1.7541 -0.8973 3187119 PK04_096076 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D15 mock treatment -0.0118 -0.0105 -0.41 -0.0064 -0.0063 -0.26 -0.4714 -0.9756 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D16 mock treatment 0.0012 0.00248 0.1 0.0115 0.0117 0.48 0.4065 0.8331 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D17 compound treatment -0.0058 -0.00452 -0.18 0.0086 0.00868 0.36 0.1269 0.3199 3187348 PK04_096077 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D18 compound treatment -0.0768 -0.0755 -2.94 -0.0745 -0.0744 -3.05 -4.2357 -0.9998 3068861 PK04_096078 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C4CC4)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D19 compound treatment -0.0668 -0.0655 -2.55 -0.0655 -0.0654 -2.68 -3.6994 -0.9997 3187354 PK04_096079 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D20 compound treatment -0.1932 -0.192 -7.48 -0.2185 -0.218 -8.95 -11.6152 -0.996 3187120 PK04_096080 OCc1ccc(cc1)c2cc[n+](Cc3sc4ccccc4c3Cl)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D21 compound treatment -0.0118 -0.0105 -0.41 0.0086 0.0087 0.36 -0.0373 -0.0687 3187433 PK04_096081 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D22 compound treatment -0.0568 -0.0555 -2.16 -0.0745 -0.0744 -3.05 -3.6847 -0.9859 3068862 PK04_096082 COc1cc2CCN(C)C(C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D23 compound treatment -0.0018 -5.19E-4 -0.02 0.0076 0.00769 0.32 0.2086 0.6604 3068462 PK04_096083 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 D24 compound treatment -0.0098 -0.00852 -0.33 -5.0E-4 -3.75E-4 -0.02 -0.2455 -0.739 3187121 PK04_096084 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E01 mock treatment 2.0E-4 0.00148 0.06 0.0125 0.0127 0.52 0.408 0.7809 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E02 mock treatment 0.0122 0.0135 0.53 0.0126 0.0127 0.52 0.7404 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E03 compound treatment 0.0152 0.0165 0.64 0.0146 0.0147 0.6 0.8804 0.9994 3186708 PK04_096085 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E04 compound treatment 0.0152 0.0165 0.64 0.0056 0.0057 0.23 0.6204 0.9059 3186710 PK04_096086 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E05 compound treatment 0.0132 0.0145 0.57 0.0165 0.0167 0.68 0.8833 0.9956 3186888 PK04_096087 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E06 compound treatment -0.2022 -0.201 -7.83 -0.2105 -0.21 -8.62 -11.6308 -0.9988 3186565 PK04_096088 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E07 compound treatment 0.0122 0.0135 0.53 0.0136 0.0137 0.56 0.7682 0.9995 3186983 PK04_096089 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E08 compound treatment -0.4182 -0.417 -16.24 -0.4435 -0.443 -18.17 -24.3333 -0.9984 3067581 PK04_096090 CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E09 mock treatment 0.0192 0.0205 0.8 0.0066 0.0067 0.27 0.7594 0.8983 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E10 mock treatment 0.0162 0.0175 0.68 0.0205 0.0207 0.85 1.0818 0.9943 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E11 compound treatment -0.0138 -0.0125 -0.49 0.0095 0.00968 0.4 -0.0634 -0.1011 3186717 PK04_096091 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E12 compound treatment -0.3122 -0.311 -12.11 -0.2915 -0.291 -11.94 -17.0079 -1.0 3068221 PK04_096092 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E13 compound treatment 0.0142 0.0155 0.6 0.0026 0.0027 0.11 0.5052 0.8228 3068273 PK04_096093 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E14 compound treatment -0.0368 -0.0355 -1.38 -0.0305 -0.0304 -1.24 -1.8593 -0.9986 3068377 PK04_096094 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E15 compound treatment 0.0272 0.0285 1.11 0.0075 0.00763 0.31 1.0062 0.8722 3068408 PK04_096095 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E16 compound treatment -0.4172 -0.416 -16.2 -0.4195 -0.419 -17.19 -23.6103 -0.9996 3186635 PK04_096096 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E17 mock treatment 0.0022 0.00348 0.14 0.0215 0.0216 0.89 0.7226 0.8059 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E18 mock treatment 0.0202 0.0215 0.84 0.0126 0.0127 0.52 0.9602 0.9735 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E19 compound treatment 0.0032 0.00448 0.17 0.0176 0.0177 0.72 0.6356 0.8531 3186791 PK04_096097 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E20 compound treatment -0.3322 -0.331 -12.89 -0.3435 -0.343 -14.07 -19.0663 -0.999 3068233 PK04_096098 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E21 compound treatment 0.0052 0.0065 0.25 0.0065 0.00663 0.27 0.3711 0.9994 3186719 PK04_096099 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)Sc6ccc(C)cc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E22 compound treatment 0.0162 0.0175 0.68 0.0056 0.00569 0.23 0.6477 0.8978 3186789 PK04_096100 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E23 compound treatment 0.0072 0.00852 0.33 0.0036 0.00368 0.15 0.3413 0.9361 3186803 PK04_096101 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 E24 compound treatment 0.0052 0.00652 0.25 0.0245 0.0247 1.01 0.8947 0.8581 3186711 PK04_096102 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F01 mock treatment -0.0078 -0.00652 -0.25 -0.0054 -0.0053 -0.22 -0.3332 -0.997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F02 mock treatment 2.0E-4 0.00148 0.06 -0.0104 -0.0103 -0.42 -0.2584 -0.6051 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F03 compound treatment 0.0012 0.00248 0.1 0.0086 0.0087 0.36 0.3203 0.8676 3068521 PK04_096103 CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F04 compound treatment -0.0058 -0.00452 -0.18 0.0116 0.0117 0.48 0.2138 0.4194 3187122 PK04_096104 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F05 compound treatment 0.0222 0.0235 0.92 -0.0034 -0.0033 -0.14 0.5522 0.5961 3068461 PK04_096105 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F06 compound treatment -0.0508 -0.0495 -1.93 -0.0505 -0.0504 -2.06 -2.8245 -0.9994 3068863 PK04_096106 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F07 compound treatment -0.0018 -5.21E-4 -0.02 -0.0024 -0.0023 -0.09 -0.0811 -0.8399 3187077 PK04_096107 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F08 compound treatment -0.1052 -0.104 -4.05 -0.0735 -0.0734 -3.01 -4.9886 -0.9893 3187123 PK04_096108 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CN5CCCC5)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F09 mock treatment -0.0098 -0.00848 -0.33 0.0146 0.0147 0.6 0.1917 0.2793 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F10 mock treatment 0.0192 0.0205 0.8 0.0066 0.0067 0.27 0.7594 0.8983 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F11 compound treatment -0.0048 -0.00352 -0.14 -4.0E-4 -3.05E-4 -0.01 -0.1058 -0.7683 3187438 PK04_096109 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F12 compound treatment -0.0838 -0.0825 -3.21 -0.1175 -0.117 -4.81 -5.6735 -0.9808 3187124 PK04_096110 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OC)c3ccc(CO)cc3)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F13 compound treatment 0.0212 0.0225 0.88 0.0076 0.0077 0.32 0.8434 0.9046 3068559 PK04_096111 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4CCCCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F14 compound treatment 0.0042 0.00548 0.21 0.0205 0.0207 0.85 0.7502 0.8585 3068864 PK04_096112 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F15 compound treatment -0.0038 -0.00252 -0.1 0.0185 0.0186 0.76 0.4703 0.6112 3186801 PK04_096113 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F16 compound treatment -0.0792 -0.0779 -3.03 -0.0835 -0.0834 -3.42 -4.5621 -0.9983 3187125 PK04_096114 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F17 mock treatment 0.0082 0.00948 0.37 0.0126 0.0127 0.52 0.6286 0.9861 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F18 mock treatment 0.0142 0.0155 0.6 0.0245 0.0247 1.01 1.1426 0.9698 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F19 compound treatment 0.0082 0.00952 0.37 6.0E-4 6.95E-4 0.03 0.2825 0.7592 3186718 PK04_096115 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NC6CC6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F20 compound treatment -0.0118 -0.0105 -0.41 -0.0195 -0.0194 -0.79 -0.8507 -0.9524 3068865 PK04_096116 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F21 compound treatment 0.0142 0.0155 0.6 0.0186 0.0187 0.77 0.9677 0.9931 3067569 PK04_096117 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F22 compound treatment -8.0E-4 4.81E-4 0.02 0.0095 0.00968 0.4 0.2936 0.7397 3187126 PK04_096118 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C=C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F23 compound treatment 0.0202 0.0215 0.84 -0.0065 -0.00637 -0.26 0.4082 0.4648 3068643 PK04_096119 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 F24 compound treatment -0.0128 -0.0115 -0.45 0.0156 0.0157 0.64 0.1369 0.1747 3187127 PK04_096120 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)c5cccs5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G01 compound treatment -0.0588 -0.0575 -2.24 -0.0795 -0.0794 -3.25 -3.8842 -0.9834 3186434 PK04_096121 CN(C)CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G02 compound treatment -0.2402 -0.239 -9.31 -0.2495 -0.249 -10.22 -13.8083 -0.9989 3067602 PK04_096122 CC(C)N1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G03 mock treatment -0.0128 -0.0115 -0.45 -0.0014 -0.0013 -0.05 -0.354 -0.786 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G04 mock treatment 0.0102 0.0115 0.45 0.0016 0.0017 0.07 0.3654 0.8073 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G05 compound treatment 0.0062 0.00752 0.29 0.0076 0.00768 0.31 0.4296 0.9994 3068238 PK04_096123 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G06 compound treatment -0.0708 -0.0695 -2.71 -0.0565 -0.0564 -2.31 -3.5487 -0.9968 3068315 PK04_096124 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G07 compound treatment 0.0062 0.00752 0.29 0.0046 0.00468 0.19 0.3427 0.9788 3186805 PK04_096125 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G08 compound treatment 0.0122 0.0135 0.53 -0.0014 -0.0013 -0.05 0.3347 0.6321 3186712 PK04_096126 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G09 compound treatment 2.0E-4 0.00148 0.06 0.0046 0.0047 0.19 0.1769 0.8804 3068360 PK04_096127 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G10 compound treatment -0.4622 -0.461 -17.96 -0.4555 -0.455 -18.66 -25.8937 -0.9998 3186431 PK04_096128 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N([C@@H]3c4ccc(CO)cc24)C5CCCCC5)c6ccc(cc6)[N+](=O)[O-])cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G11 compound treatment -8.0E-4 4.81E-4 0.02 -0.0074 -0.0073 -0.3 -0.1984 -0.6615 3186642 PK04_096129 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G12 compound treatment -0.0438 -0.0425 -1.66 -0.0535 -0.0534 -2.19 -2.718 -0.9907 3068326 PK04_096130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G13 compound treatment -0.0798 -0.0785 -3.06 -0.0905 -0.0904 -3.7 -4.7809 -0.9955 3186484 PK04_096131 CCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G14 compound treatment -0.0118 -0.0105 -0.41 -4.0E-4 -3.04E-4 -0.01 -0.2975 -0.7283 3068146 PK04_096132 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G15 compound treatment -0.1262 -0.125 -4.87 -0.1145 -0.114 -4.69 -6.7552 -0.9998 3068195 PK04_096133 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C6CC6)C4=O)c7ccccc7C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G16 compound treatment -0.0098 -0.00852 -0.33 -0.0185 -0.0183 -0.75 -0.7657 -0.9326 3068279 PK04_096134 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G17 compound treatment 0.0052 0.00652 0.25 -0.0024 -0.0023 -0.09 0.1129 0.4164 3068328 PK04_096135 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G18 compound treatment -0.0018 -5.19E-4 -0.02 -0.0054 -0.0053 -0.22 -0.168 -0.7695 3068311 PK04_096136 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G19 mock treatment 0.0032 0.00448 0.17 -0.0095 -0.00932 -0.38 -0.1468 -0.3493 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G20 mock treatment -0.0148 -0.0135 -0.53 -0.0024 -0.0023 -0.09 -0.4381 -0.8211 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G21 compound treatment -0.0228 -0.0215 -0.84 -0.0295 -0.0294 -1.2 -1.4446 -0.9844 3068284 PK04_096137 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G22 compound treatment -0.0048 -0.00352 -0.14 6.0E-4 6.95E-4 0.03 -0.0768 -0.5484 3186501 PK04_096138 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G23 compound treatment -0.0078 -0.00652 -0.25 -0.0094 -0.00931 -0.38 -0.4492 -0.9804 3186555 PK04_096139 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 G24 compound treatment -0.0278 -0.0265 -1.03 -0.0135 -0.0133 -0.55 -1.1156 -0.9558 3186877 PK04_096140 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H01 compound treatment -0.2752 -0.274 -10.67 -0.2815 -0.281 -11.53 -15.7005 -0.9993 3186629 PK04_096141 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H02 compound treatment -0.1138 -0.112 -4.38 -0.1045 -0.104 -4.28 -6.1232 -0.9999 3068866 PK04_096142 OCc1ccc(cc1)c2cc[n+](Cc3cc4OCOc4cc3Br)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H03 mock treatment -0.0068 -0.00548 -0.21 -0.0025 -0.00237 -0.1 -0.2197 -0.9367 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H04 mock treatment -0.0088 -0.00748 -0.29 -0.0045 -0.00432 -0.18 -0.3314 -0.9716 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H05 compound treatment -0.0478 -0.0465 -1.81 -0.0515 -0.0514 -2.1 -2.7703 -0.9972 3186432 PK04_096143 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H06 compound treatment -0.0858 -0.0845 -3.29 -0.0955 -0.0954 -3.91 -5.0922 -0.9964 3068867 PK04_096144 OCc1ccc(cc1)c2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H07 compound treatment -0.5272 -0.526 -20.49 -0.5335 -0.533 -21.86 -29.9453 -0.9995 3187128 PK04_096145 CC(C)CN1C(=O)[C@]2(CC(=O)N(CC3C4CC5CC(C4)CC3C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H08 compound treatment -0.0268 -0.0255 -0.99 -0.0165 -0.0164 -0.67 -1.1764 -0.9816 3068868 PK04_096146 COc1cc2CC[N+](=Cc2cc1O)Cc3sc4ccccc4c3Cl 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H09 compound treatment -0.5622 -0.561 -21.85 -0.5675 -0.567 -23.25 -31.8947 -0.9995 3186637 PK04_096147 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H10 compound treatment -0.0708 -0.0695 -2.71 -0.0595 -0.0594 -2.43 -3.6363 -0.9986 3187129 PK04_096148 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C4CC4)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H11 compound treatment -0.0118 -0.0105 -0.41 -0.0044 -0.00431 -0.18 -0.4135 -0.9297 3187130 PK04_096149 CC1(C)OB(OC1(C)C)/C=C\CC(OC(=O)c2ccncc2)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H12 compound treatment -0.1792 -0.178 -6.93 -0.1765 -0.176 -7.23 -10.0125 -0.9998 3187131 PK04_096150 C[n+]1ccc(cc1)c2ccc(CO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H13 compound treatment -0.0618 -0.0605 -2.36 -0.0735 -0.0734 -3.01 -3.794 -0.9928 3068898 PK04_096151 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)C)c2ccccc2)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H14 compound treatment -0.0068 -0.00552 -0.22 -0.0135 -0.0134 -0.55 -0.5391 -0.9168 3187132 PK04_096152 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H15 compound treatment -0.0058 -0.00452 -0.18 -0.0014 -0.0013 -0.05 -0.1623 -0.8821 3187133 PK04_096153 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)C)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H16 compound treatment -0.0038 -0.00252 -0.1 -0.0095 -0.00935 -0.38 -0.3405 -0.8605 3187134 PK04_096154 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C2)c6cccs6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H17 compound treatment -0.0418 -0.0405 -1.58 -0.0685 -0.0684 -2.8 -3.0982 -0.9632 3068899 PK04_096155 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)c3ccncc3)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H18 compound treatment -0.0148 -0.0135 -0.53 -0.0194 -0.0193 -0.79 -0.9313 -0.9801 3068900 PK04_096156 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C5CC5)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H19 mock treatment -0.0038 -0.00252 -0.1 -0.0034 -0.0033 -0.14 -0.1652 -0.9875 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H20 mock treatment -0.0028 -0.00152 -0.06 -0.0044 -0.0043 -0.18 -0.1666 -0.8953 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H21 compound treatment -0.0578 -0.0565 -2.2 -0.0605 -0.0604 -2.47 -3.306 -0.9983 3187204 PK04_096157 CC(C)(C)OC(=O)COc1cccc(c1)C(=O)CCN2CCOCC2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H22 compound treatment -0.0058 -0.00452 -0.18 -0.0034 -0.0033 -0.14 -0.2203 -0.9916 3187205 PK04_096158 OCCCc1cc[n+](Cc2cc3OCOc3cc2Br)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H23 compound treatment -0.0078 -0.00648 -0.25 0.0106 0.0107 0.44 0.1314 0.2599 3068901 PK04_096159 COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 H24 compound treatment -0.0068 -0.00552 -0.22 -0.0124 -0.0123 -0.51 -0.5092 -0.9276 3187206 PK04_096160 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I01 compound treatment -0.0048 -0.0035 -0.14 -0.0135 -0.0134 -0.55 -0.4833 -0.8571 3186796 PK04_096161 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I02 compound treatment -0.1802 -0.179 -6.97 -0.1915 -0.191 -7.84 -10.4736 -0.9983 3186628 PK04_096162 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I03 compound treatment 0.0052 0.00652 0.25 0.0016 0.00169 0.07 0.2287 0.8684 3186882 PK04_096163 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I04 compound treatment -0.0158 -0.0145 -0.56 -0.0204 -0.0203 -0.83 -0.9878 -0.982 3186797 PK04_096164 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I05 mock treatment -0.0078 -0.00652 -0.25 0.0035 0.00363 0.15 -0.0745 -0.2533 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I06 mock treatment -0.0128 -0.0115 -0.45 -0.0034 -0.00331 -0.14 -0.4121 -0.8818 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I07 compound treatment -0.0738 -0.0725 -2.83 -0.0605 -0.0604 -2.47 -3.7479 -0.9978 3186430 PK04_096165 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(C5CC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I08 compound treatment -0.0368 -0.0355 -1.38 -0.0425 -0.0424 -1.74 -2.207 -0.9937 3186557 PK04_096166 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I09 compound treatment 0.0142 0.0155 0.6 -0.0074 -0.0073 -0.3 0.2154 0.3195 3186558 PK04_096167 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I10 compound treatment -0.2152 -0.214 -8.34 -0.1935 -0.193 -7.92 -11.4974 -0.9997 3068320 PK04_096168 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I11 compound treatment -0.0078 -0.00652 -0.25 0.0076 0.0077 0.32 0.0434 0.1072 3068364 PK04_096169 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I12 compound treatment 0.0042 0.00548 0.21 -0.0095 -0.00932 -0.38 -0.1191 -0.2722 3186489 PK04_096170 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I13 compound treatment 0.0102 0.0115 0.45 6.0E-4 6.95E-4 0.03 0.3376 0.7505 3186807 PK04_096171 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I14 compound treatment -0.0458 -0.0445 -1.74 -0.0495 -0.0494 -2.02 -2.6572 -0.9971 3068281 PK04_096172 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I15 compound treatment -0.0548 -0.0535 -2.08 -0.0385 -0.0384 -1.57 -2.5853 -0.9903 3186567 PK04_096173 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I16 compound treatment -0.2272 -0.226 -8.8 -0.2645 -0.264 -10.83 -13.8838 -0.9947 3068410 PK04_096174 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I17 compound treatment 0.0082 0.00952 0.37 -0.0144 -0.0143 -0.59 -0.1522 -0.2194 3186973 PK04_096175 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I18 compound treatment 0.0112 0.0125 0.49 -0.0094 -0.0093 -0.38 0.0754 0.1219 3068148 PK04_096176 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I19 compound treatment -0.0088 -0.00752 -0.29 0.0086 0.00868 0.36 0.0443 0.0961 3068239 PK04_096177 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I20 compound treatment -8.0E-4 4.79E-4 0.02 -0.0054 -0.00531 -0.22 -0.1406 -0.644 3068268 PK04_096178 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I21 mock treatment 0.0072 0.00848 0.33 -0.0164 -0.0163 -0.67 -0.2393 -0.3208 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I22 mock treatment -0.0028 -0.00152 -0.06 0.0056 0.0057 0.23 0.1232 0.5116 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I23 compound treatment -0.0942 -0.0929 -3.62 -0.1145 -0.114 -4.69 -5.8741 -0.9919 3186564 PK04_096179 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 I24 compound treatment -0.0288 -0.0275 -1.07 -0.0515 -0.0514 -2.11 -2.2474 -0.9511 3068366 PK04_096180 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J01 compound treatment -0.0248 -0.0235 -0.92 -0.0274 -0.0273 -1.12 -1.4403 -0.9951 1230870 PK04_096181 Oc1cccc(c1)C(=O)CCN2CCOCC2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J02 compound treatment -0.1218 -0.12 -4.69 -0.0995 -0.0994 -4.07 -6.1993 -0.9975 3187207 PK04_096182 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)C3CC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J03 compound treatment -0.0248 -0.0235 -0.92 -0.0405 -0.0403 -1.65 -1.8159 -0.9612 3068902 PK04_096183 COc1ccc(CC[C@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J04 compound treatment -0.0078 -0.00652 -0.25 -0.0124 -0.0123 -0.5 -0.5361 -0.9496 3187208 PK04_096184 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J05 mock treatment -0.0088 -0.00748 -0.29 -0.0034 -0.0033 -0.14 -0.3018 -0.9393 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J06 mock treatment -0.0038 -0.00248 -0.1 0.0046 0.0047 0.19 0.0678 0.3148 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J07 compound treatment -0.0158 -0.0145 -0.57 -0.0185 -0.0183 -0.75 -0.9311 -0.9902 3187209 PK04_096185 CCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c5cccc(O)c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J08 compound treatment -0.0068 -0.00554 -0.22 -0.0194 -0.0193 -0.79 -0.712 -0.8683 3068903 PK04_096186 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J09 compound treatment -0.0028 -0.00152 -0.06 -0.0075 -0.00732 -0.3 -0.2541 -0.8305 1032549 PK04_096187 CCOC(=O)C1CCCCN1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J10 compound treatment -0.0748 -0.0735 -2.86 -0.0455 -0.0454 -1.86 -3.3391 -0.9781 3187210 PK04_096188 COc1cc2CCN(C)C(C=C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J11 compound treatment -8.0E-4 4.81E-4 0.02 -4.0E-4 -3.05E-4 -0.01 0.0044 0.1967 3187211 PK04_096189 CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J12 compound treatment -0.0128 -0.0115 -0.45 -0.0034 -0.0033 -0.14 -0.412 -0.8817 3187212 PK04_096190 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4ccc(CN5CCCC5)cc4)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J13 compound treatment -0.0318 -0.0305 -1.19 -0.0185 -0.0183 -0.75 -1.3708 -0.9756 3068904 PK04_096191 [O-][N+](=O)c1cc(Br)ccc1C(=O)NCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J14 compound treatment -0.0228 -0.0215 -0.84 -0.0154 -0.0153 -0.63 -1.0352 -0.9899 3068905 PK04_096192 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C=C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J15 compound treatment -0.0038 -0.00252 -0.1 -0.0115 -0.0113 -0.46 -0.3976 -0.8381 3187213 PK04_096193 CC(=O)Nc1cc(Br)ccc1C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J16 compound treatment -0.0288 -0.0275 -1.07 -0.0335 -0.0334 -1.37 -1.7247 -0.9927 3187214 PK04_096194 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5cccs5)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J17 compound treatment 0.0232 0.0245 0.95 -5.0E-4 -3.75E-4 -0.02 0.663 0.6956 3068906 PK04_096195 CC(=O)Nc1cc(Br)ccc1C(=O)NCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J18 compound treatment -0.0438 -0.0425 -1.66 -0.0245 -0.0244 -1.0 -1.8766 -0.9706 3187215 PK04_096196 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5cccs5)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J19 compound treatment 0.0112 0.0125 0.49 -4.0E-4 -3.05E-4 -0.01 0.3361 0.6888 3068907 PK04_096197 Brc1ccc2c(=O)oc(nc2c1)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J20 compound treatment 0.0112 0.0125 0.49 6.0E-4 6.95E-4 0.03 0.364 0.7473 3187216 PK04_096198 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4ccc(CN5CCCC5)cc4)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J21 mock treatment 0.0082 0.00948 0.37 0.0046 0.0047 0.19 0.3972 0.9538 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J22 mock treatment 0.0042 0.00548 0.21 -0.0265 -0.0263 -1.08 -0.6118 -0.5563 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J23 compound treatment -0.0058 -0.0045 -0.18 -0.0175 -0.0174 -0.71 -0.6274 -0.8556 3068908 PK04_096199 Nc1cc(Br)ccc1C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 J24 compound treatment -0.0388 -0.0375 -1.46 -0.0335 -0.0334 -1.37 -2.0007 -0.9994 3068910 PK04_096200 Oc1ccc2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K01 compound treatment -0.1592 -0.158 -6.15 -0.2105 -0.21 -8.62 -10.4456 -0.9863 3068198 PK04_096201 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(Cc6ccccc6)C4=O)c7ccccc7C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K02 compound treatment -0.0078 -0.00648 -0.25 -0.0164 -0.0163 -0.67 -0.6515 -0.9112 3186870 PK04_096202 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K03 compound treatment -0.0078 -0.00652 -0.25 -0.0124 -0.0123 -0.51 -0.5367 -0.9494 3068155 PK04_096203 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K04 compound treatment -0.0428 -0.0415 -1.62 -0.0375 -0.0374 -1.53 -2.2268 -0.9996 3186875 PK04_096204 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K05 compound treatment -0.0098 -0.00852 -0.33 -0.0014 -0.0013 -0.05 -0.2725 -0.8106 3068359 PK04_096205 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K06 compound treatment -0.2032 -0.202 -7.87 -0.2125 -0.212 -8.7 -11.7168 -0.9987 3186626 PK04_096206 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(F)(F)F)C4=O)c6ccccc6C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K07 mock treatment -0.0308 -0.0295 -1.15 0.0095 0.00968 0.4 -0.5318 -0.4376 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K08 mock treatment -0.0158 -0.0145 -0.56 0.0016 0.0017 0.07 -0.3496 -0.6151 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K09 compound treatment -0.0068 -0.00552 -0.21 -0.0034 -0.0033 -0.14 -0.2477 -0.9752 3186869 PK04_096207 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K10 compound treatment -0.3792 -0.378 -14.72 -0.3635 -0.363 -14.89 -20.9412 -1.0 3068235 PK04_096208 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K11 compound treatment -0.0578 -0.0565 -2.2 -0.0625 -0.0624 -2.56 -3.3645 -0.9973 3186487 PK04_096209 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(Cc7ccccc7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K12 compound treatment 0.0022 0.00348 0.14 -0.0094 -0.0093 -0.38 -0.1737 -0.4292 3068411 PK04_096210 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K13 compound treatment -0.0288 -0.0275 -1.07 -0.0084 -0.0083 -0.34 -0.9977 -0.8881 3068329 PK04_096211 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K14 compound treatment -0.4692 -0.468 -18.23 -0.4675 -0.467 -19.15 -26.4343 -0.9997 3067608 PK04_096212 COCCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K15 mock treatment 0.0112 0.0125 0.49 0.0016 0.0017 0.07 0.3941 0.7997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K16 mock treatment -8.0E-4 4.81E-4 0.02 0.0016 0.0017 0.07 0.0624 0.8669 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K17 compound treatment -0.0228 -0.0215 -0.84 -0.0164 -0.0163 -0.67 -1.0647 -0.9937 3186979 PK04_096213 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K18 compound treatment -0.3512 -0.35 -13.63 -0.3645 -0.364 -14.93 -20.1993 -0.999 3186636 PK04_096214 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K19 compound treatment -0.0178 -0.0165 -0.64 -0.0395 -0.0394 -1.61 -1.5966 -0.9189 3186793 PK04_096215 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K20 compound treatment -0.5022 -0.501 -19.52 -0.5095 -0.509 -20.87 -28.56 -0.9994 3186637 PK04_096216 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K21 compound treatment -0.4382 -0.437 -17.02 -0.4585 -0.458 -18.78 -25.3201 -0.9988 3067613 PK04_096217 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N(CC4(CC5CC6CC(C5)C4)C6)[C@@H]3c7ccc(CO)cc27)c8ccc(cc8)[N+](=O)[O-])cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K22 compound treatment -0.0388 -0.0375 -1.46 -0.0405 -0.0404 -1.65 -2.2036 -0.9981 3186873 PK04_096218 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K23 mock treatment -0.0088 -0.00748 -0.29 -0.0104 -0.0103 -0.42 -0.5052 -0.9834 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 K24 mock treatment -0.0118 -0.0105 -0.41 -0.0014 -0.00131 -0.05 -0.3266 -0.7931 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L01 compound treatment -0.0128 -0.0115 -0.45 -0.0044 -0.0043 -0.18 -0.4421 -0.9168 3068940 PK04_096219 Cc1nc2cc(Br)ccc2c(=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L02 compound treatment -0.0138 -0.0125 -0.49 0.0016 0.0017 0.07 -0.2958 -0.6003 3187217 PK04_096220 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L03 compound treatment 0.0042 0.00548 0.21 0.0076 0.0077 0.32 0.3739 0.9819 3068941 PK04_096221 CC(C)c1nc2cc(Br)ccc2c(=O)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L04 compound treatment -0.0558 -0.0545 -2.12 -0.0395 -0.0394 -1.61 -2.6418 -0.9908 3068942 PK04_096222 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L05 compound treatment 0.0012 0.00248 0.1 -4.0E-4 -3.04E-4 -0.01 0.0596 0.611 3187218 PK04_096223 Cc1nc2cc(Br)ccc2c(=O)n1Cc3cccc(O)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L06 compound treatment -0.1312 -0.13 -5.06 -0.1555 -0.155 -6.37 -8.0805 -0.9935 3068943 PK04_096224 COc1cc2CCN(C)C(c3cccs3)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L07 mock treatment 0.0062 0.00748 0.29 -0.0014 -0.00131 -0.05 0.1683 0.5676 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L08 mock treatment -8.0E-4 4.81E-4 0.02 -0.0135 -0.0133 -0.55 -0.3729 -0.6824 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L09 compound treatment 0.0152 0.0165 0.64 0.0046 0.00468 0.19 0.5906 0.8795 3187219 PK04_096225 Oc1cccc(CNC(=O)c2ccc(Br)cc2NC(=O)c3ccccc3)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L10 compound treatment -0.0848 -0.0835 -3.25 -0.0735 -0.0734 -3.01 -4.4266 -0.9992 3187220 PK04_096226 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L11 compound treatment 0.0062 0.00748 0.29 0.0106 0.0107 0.44 0.5155 0.9805 3068944 PK04_096227 Oc1cccc(Cn2c(nc3cc(Br)ccc3c2=O)c4ccccc4)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L12 compound treatment -0.0038 -0.00252 -0.1 -0.0034 -0.0033 -0.14 -0.1652 -0.9875 3187221 PK04_096228 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L13 compound treatment 0.0052 0.00652 0.25 0.0046 0.0047 0.19 0.3157 0.9906 1980253 PK04_096229 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2)/C#N)c(=O)n(c3ccccc3)n1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L14 compound treatment -0.0548 -0.0535 -2.09 -0.0545 -0.0544 -2.23 -3.0506 -0.9995 3068945 PK04_096230 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3cccs3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L15 mock treatment 0.0142 0.0155 0.6 0.0076 0.0077 0.32 0.6506 0.9539 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L16 mock treatment 0.0052 0.00648 0.25 -4.0E-4 -3.05E-4 -0.01 0.1697 0.6713 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L17 compound treatment 0.0092 0.0105 0.41 0.0076 0.00768 0.31 0.5123 0.9914 3187222 PK04_096231 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L18 compound treatment -0.1642 -0.163 -6.35 -0.1785 -0.178 -7.31 -9.6561 -0.9975 3187223 PK04_096232 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6cccs6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L19 compound treatment 0.0052 0.00652 0.25 -0.0014 -0.0013 -0.05 0.1418 0.5463 3068946 PK04_096233 Cc1c(NC(=O)/C(=C/C=C/c2ccc(cc2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L20 compound treatment -0.0598 -0.0585 -2.28 -0.0765 -0.0764 -3.13 -3.8242 -0.9879 3187224 PK04_096234 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5cccs5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L21 compound treatment -0.0088 -0.00748 -0.29 6.0E-4 6.99E-4 0.03 -0.1858 -0.6345 3068947 PK04_096235 CN(C)c1ccc(/C=C/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L22 compound treatment -0.0128 -0.0115 -0.45 -0.0065 -0.00637 -0.26 -0.5015 -0.967 3187225 PK04_096236 COc1cc2CCN(C)C(C3CC3)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L23 mock treatment 0.0152 0.0165 0.64 0.0096 0.0097 0.4 0.7362 0.9731 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 L24 mock treatment 0.0182 0.0195 0.76 0.0156 0.0157 0.64 0.992 0.9965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M01 compound treatment 0.0162 0.0175 0.68 0.0176 0.0177 0.72 0.9943 0.9995 3186502 PK04_096237 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M02 compound treatment -0.0358 -0.0345 -1.34 -0.0525 -0.0524 -2.15 -2.4675 -0.9746 3186497 PK04_096238 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC(C)C)c5ccccc5C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M03 compound treatment 0.0072 0.00848 0.33 0.0165 0.0167 0.68 0.7169 0.9444 3068404 PK04_096239 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M04 compound treatment 0.0262 0.0275 1.07 0.0236 0.0237 0.97 1.4443 0.9988 3186643 PK04_096240 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M05 compound treatment -0.0018 -4.99E-4 -0.02 -0.0044 -0.0043 -0.18 -0.1385 -0.7803 3186723 PK04_096241 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M06 compound treatment 0.0122 0.0135 0.53 0.0186 0.0187 0.77 0.9137 0.9834 3186868 PK04_096242 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M07 compound treatment 0.0052 0.0065 0.25 0.0075 0.00763 0.31 0.4001 0.9946 3186798 PK04_096243 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M08 compound treatment 0.0022 0.00348 0.14 -0.0064 -0.0063 -0.26 -0.0868 -0.2974 3186799 PK04_096244 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M09 mock treatment 2.0E-4 0.00148 0.06 0.0056 0.00568 0.23 0.2053 0.8566 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M10 mock treatment -0.0038 -0.00252 -0.1 -0.0175 -0.0173 -0.71 -0.5714 -0.7973 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M11 compound treatment 0.0232 0.0245 0.95 0.0115 0.0116 0.48 1.0119 0.9485 3186496 PK04_096245 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M12 compound treatment -0.0018 -5.39E-4 -0.02 -0.0104 -0.0103 -0.42 -0.3134 -0.7413 3068379 PK04_096246 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M13 mock treatment -8.0E-4 4.81E-4 0.02 -0.0014 -0.0013 -0.05 -0.0245 -0.4331 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M14 mock treatment 0.0082 0.00952 0.37 0.0136 0.0137 0.56 0.6586 0.9799 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M15 compound treatment -0.0808 -0.0795 -3.1 -0.0965 -0.0964 -3.95 -4.9834 -0.9928 3186488 PK04_096247 CC(C)N1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M16 compound treatment -0.0248 -0.0235 -0.92 -0.0515 -0.0514 -2.11 -2.1372 -0.9307 3186886 PK04_096248 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M17 compound treatment -8.0E-4 4.81E-4 0.02 0.0106 0.0107 0.44 0.3226 0.7367 3068154 PK04_096249 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M18 compound treatment -0.0348 -0.0335 -1.31 -0.0305 -0.0304 -1.24 -1.8031 -0.9997 3068369 PK04_096250 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M19 compound treatment 0.0042 0.0055 0.21 -0.0105 -0.0104 -0.42 -0.1485 -0.3124 3186727 PK04_096251 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M20 compound treatment -8.0E-4 4.83E-4 0.02 0.0076 0.00769 0.32 0.2362 0.748 3186984 PK04_096252 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M21 compound treatment -0.0128 -0.0115 -0.45 -0.0215 -0.0214 -0.88 -0.9367 -0.9521 3068372 PK04_096253 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M22 compound treatment 0.0082 0.00952 0.37 0.0056 0.0057 0.23 0.4273 0.9751 3186721 PK04_096254 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M23 compound treatment -8.0E-4 5.01E-4 0.02 -0.0164 -0.0163 -0.67 -0.4587 -0.6861 3068316 PK04_096255 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 M24 compound treatment -0.0458 -0.0445 -1.74 -0.0475 -0.0474 -1.94 -2.5992 -0.9984 3068283 PK04_096256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N01 compound treatment -0.0218 -0.0205 -0.8 6.0E-4 6.95E-4 0.03 -0.544 -0.6814 1694663 PK04_096257 Cc1c(NC(=O)CC#N)c(=O)n(c2ccccc2)n1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N02 compound treatment -0.0538 -0.0525 -2.05 -0.0445 -0.0444 -1.82 -2.7322 -0.9983 3187226 PK04_096258 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C)C=C(CCCO)C=C1C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N03 compound treatment 0.0022 0.00348 0.14 -0.0194 -0.0193 -0.79 -0.4641 -0.5776 3068949 PK04_096259 Cc1ccccc1/C=C/C=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N04 compound treatment -0.0308 -0.0295 -1.15 -0.0265 -0.0263 -1.08 -1.5755 -0.9995 3187227 PK04_096260 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2ccc(CN3CCCC3)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N05 compound treatment -0.0078 -0.00648 -0.25 -0.0034 -0.0033 -0.14 -0.2742 -0.9574 3068950 PK04_096261 CCOc1ccc(cc1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N06 compound treatment -0.0268 -0.0255 -0.99 -0.0135 -0.0134 -0.55 -1.0889 -0.9606 3187228 PK04_096262 Oc1ccc2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N07 compound treatment -0.0238 -0.0225 -0.88 -0.0084 -0.00832 -0.34 -0.8605 -0.9155 3068951 PK04_096263 [O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N08 compound treatment -0.0398 -0.0385 -1.5 -0.0104 -0.0103 -0.42 -1.3586 -0.8723 3187299 PK04_096264 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4cccs4)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N09 mock treatment -0.0398 -0.0385 -1.5 -0.0295 -0.0293 -1.2 -1.9098 -0.994 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N10 mock treatment -0.0048 -0.00352 -0.14 -0.0014 -0.0013 -0.05 -0.1346 -0.9153 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N11 compound treatment -0.0198 -0.0185 -0.72 -0.0305 -0.0303 -1.24 -1.3878 -0.9663 3068985 PK04_096265 Cc1cc(C)cc(c1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N12 compound treatment -0.0108 -0.00954 -0.37 -0.0135 -0.0134 -0.55 -0.6498 -0.9822 3187300 PK04_096266 COc1cc2CCN(C)C(c3ccc(CN4CCCC4)cc3)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N13 mock treatment -0.0028 -0.00152 -0.06 -0.0145 -0.0143 -0.59 -0.4571 -0.7745 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N14 mock treatment 2.0E-4 0.00148 0.06 -0.0135 -0.0133 -0.55 -0.3453 -0.6289 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N15 compound treatment -0.0168 -0.0155 -0.6 0.0046 0.00468 0.19 -0.2909 -0.4598 3068986 PK04_096267 COc1ccc(/C=C/C=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N16 compound treatment -0.0448 -0.0435 -1.7 -0.0385 -0.0384 -1.57 -2.3109 -0.9993 3187301 PK04_096268 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N17 compound treatment -0.0158 -0.0145 -0.57 -0.0265 -0.0263 -1.08 -1.1629 -0.9546 3068987 PK04_096269 Cc1cccc(/C=C/C=O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N18 compound treatment -0.0168 -0.0155 -0.61 -0.0154 -0.0153 -0.63 -0.8716 -0.9998 3068988 PK04_096270 OCCCc1cc[n+](Cc2sc3ccccc3c2Cl)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N19 compound treatment -0.0138 -0.0125 -0.49 -0.0215 -0.0213 -0.87 -0.9617 -0.9617 3068989 PK04_096271 Cc1ccc(/C=C/C=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N20 compound treatment -0.0328 -0.0315 -1.23 -0.0205 -0.0204 -0.83 -1.4576 -0.9823 3187302 PK04_096272 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N21 compound treatment 0.0122 0.0135 0.53 -0.0135 -0.0133 -0.55 -0.0136 -0.0179 3068990 PK04_096273 COc1cccc(/C=C/C=O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N22 compound treatment -0.0068 -0.00552 -0.22 -0.0164 -0.0163 -0.67 -0.6251 -0.8896 3068991 PK04_096274 Oc1ccc2cc[n+](Cc3cc4OCOc4cc3Br)cc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N23 compound treatment -0.0018 -5.19E-4 -0.02 -0.0175 -0.0173 -0.71 -0.5164 -0.7269 3187303 PK04_096275 Clc1ccccc1/C=C/C=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 N24 compound treatment -0.1842 -0.183 -7.13 -0.0975 -0.0974 -3.99 -7.861 -0.9624 3187304 PK04_096276 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)C5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O01 compound treatment -0.0878 -0.0865 -3.37 -0.0845 -0.0844 -3.46 -4.8291 -0.9999 3186631 PK04_096277 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O02 compound treatment -0.0618 -0.0605 -2.36 -0.0715 -0.0714 -2.92 -3.7343 -0.9943 3067615 PK04_096278 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(CC(F)(F)F)c2c1)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O03 compound treatment 0.0022 0.00352 0.14 -0.0064 -0.0063 -0.26 -0.0857 -0.2929 3186715 PK04_096279 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O04 compound treatment 0.0082 0.00952 0.37 0.0046 0.0047 0.19 0.3984 0.9533 3068363 PK04_096280 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O05 compound treatment 0.0072 0.0085 0.33 -0.0014 -0.0013 -0.05 0.1964 0.5854 3068310 PK04_096281 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O06 compound treatment -0.1912 -0.19 -7.4 -0.2075 -0.207 -8.5 -11.2403 -0.9976 3068196 PK04_096282 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCN6CCOCC6)C4=O)c7ccccc7C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O07 compound treatment -0.0198 -0.0185 -0.72 -0.0075 -0.00737 -0.3 -0.7245 -0.9252 3068277 PK04_096283 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O08 compound treatment -0.0418 -0.0405 -1.58 -0.0605 -0.0604 -2.47 -2.8645 -0.9764 3186720 PK04_096284 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O09 compound treatment -0.1252 -0.124 -4.83 -0.1345 -0.134 -5.51 -7.3077 -0.9979 3186632 PK04_096285 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O10 compound treatment -0.3012 -0.3 -11.69 -0.3045 -0.304 -12.47 -17.0832 -0.9995 3068157 PK04_096286 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(C5CCCCC5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O11 mock treatment -0.0018 -5.21E-4 -0.02 -0.0104 -0.0103 -0.42 -0.313 -0.7402 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O12 mock treatment 0.0022 0.00348 0.14 -0.0155 -0.0153 -0.63 -0.3482 -0.5419 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O13 compound treatment -0.0038 -0.00252 -0.1 -4.0E-4 -3.05E-4 -0.01 -0.0783 -0.7906 3186874 PK04_096287 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O14 compound treatment -0.1132 -0.112 -4.36 -0.1015 -0.101 -4.15 -6.0209 -0.9997 3068138 PK04_096288 COCCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O15 compound treatment 0.0242 0.0255 0.99 6.0E-4 6.95E-4 0.03 0.7232 0.7271 3186972 PK04_096289 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O16 compound treatment -0.0178 -0.0165 -0.64 -0.0075 -0.00737 -0.3 -0.6693 -0.9405 3186981 PK04_096290 COCCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O17 compound treatment -0.0028 -0.0015 -0.06 -0.0025 -0.00237 -0.1 -0.1101 -0.9702 3186709 PK04_096291 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O18 compound treatment -8.0E-4 4.81E-4 0.02 -0.0204 -0.0203 -0.83 -0.5757 -0.691 3186725 PK04_096292 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O19 compound treatment -0.0248 -0.0235 -0.92 -0.0285 -0.0284 -1.16 -1.4701 -0.9931 3068321 PK04_096293 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O20 compound treatment -0.4072 -0.406 -15.82 -0.4115 -0.411 -16.86 -23.1035 -0.9995 3068192 PK04_096294 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O21 compound treatment -0.1282 -0.127 -4.94 -0.1355 -0.135 -5.55 -7.4183 -0.9984 3068201 PK04_096295 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O22 compound treatment 0.0052 0.00652 0.25 0.0016 0.0017 0.07 0.2288 0.8686 3068381 PK04_096296 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O23 compound treatment 0.0072 0.0085 0.33 -0.0204 -0.0203 -0.83 -0.3548 -0.3958 3186880 PK04_096297 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCc6ccccc6)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 O24 compound treatment -0.0098 -0.00852 -0.33 -0.0235 -0.0233 -0.96 -0.9107 -0.8999 3186977 PK04_096298 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P01 compound treatment -0.0548 -0.0535 -2.08 -0.0384 -0.0383 -1.57 -2.5839 -0.9903 3068992 PK04_096299 Cc1c(NC(=O)/C(=C/c2cccc(c2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P02 compound treatment -0.0288 -0.0275 -1.07 -0.0235 -0.0234 -0.96 -1.4349 -0.9984 3187305 PK04_096300 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)C2CC2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P03 compound treatment -0.0308 -0.0295 -1.15 -0.0114 -0.0113 -0.46 -1.1397 -0.9203 3187306 PK04_096301 COc1cccc(/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P04 compound treatment -0.0278 -0.0265 -1.03 -0.0335 -0.0334 -1.37 -1.6971 -0.9904 3068993 PK04_096302 COc1cc2CC[N+](=Cc2cc1O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P05 compound treatment -0.0258 -0.0245 -0.95 -0.0365 -0.0363 -1.49 -1.7275 -0.9769 3068994 PK04_096303 Cc1c(NC(=O)/C(=C/c2ccccc2Cl)/C#N)c(=O)n(c3ccccc3)n1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P06 compound treatment -0.0658 -0.0645 -2.51 -0.1005 -0.1 -4.11 -4.6866 -0.9721 3187307 PK04_096304 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4cccs4)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P07 compound treatment -0.0418 -0.0405 -1.58 -0.0355 -0.0353 -1.45 -2.1388 -0.9991 3187308 PK04_096305 Cc1c(NC(=O)/C(=C/c2ccc(Cl)cc2)/C#N)c(=O)n(c3ccccc3)n1C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P08 compound treatment -0.0598 -0.0585 -2.28 -0.0435 -0.0434 -1.78 -2.8685 -0.9924 3068995 PK04_096306 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3CCCO)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P09 compound treatment -0.0288 -0.0275 -1.07 -0.0465 -0.0464 -1.9 -2.1014 -0.9632 1972122 PK04_096307 Cc1cc(C)cc(c1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)CC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P10 compound treatment -0.0988 -0.0975 -3.8 -0.1095 -0.109 -4.48 -5.8555 -0.9966 3187309 PK04_096308 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)C4CC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P11 mock treatment -0.0298 -0.0285 -1.11 -0.0415 -0.0413 -1.69 -1.9821 -0.979 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P12 mock treatment -0.0278 -0.0265 -1.03 -0.0265 -0.0263 -1.08 -1.4922 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P13 compound treatment -0.0248 -0.0235 -0.91 -0.0454 -0.0453 -1.86 -1.9602 -0.9468 3068996 PK04_096309 Clc1ccc(/C=C/C=O)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P14 compound treatment -0.0468 -0.0455 -1.77 -0.0725 -0.0724 -2.97 -3.3518 -0.9698 3187310 PK04_096310 COc1cc2CC[N+](=Cc2cc1O)Cc3cccc(OC(F)(F)F)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P15 compound treatment -0.0288 -0.0275 -1.07 -0.0194 -0.0193 -0.79 -1.317 -0.989 3068997 PK04_096311 O=C/C=C/c1ccc2OCOc2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P16 compound treatment -0.0478 -0.0465 -1.81 -0.0475 -0.0474 -1.94 -2.6538 -0.9994 3187311 PK04_096312 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3ccc(CN4CCCC4)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P17 compound treatment -0.0318 -0.0305 -1.19 -0.0585 -0.0584 -2.39 -2.5318 -0.9478 3068998 PK04_096313 O=C/C=C/c1ccc(cc1)c2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P18 compound treatment -0.0508 -0.0495 -1.93 -0.0335 -0.0334 -1.37 -2.3302 -0.9858 3187312 PK04_096314 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P19 compound treatment -0.0278 -0.0265 -1.03 -0.0245 -0.0243 -1.0 -1.4343 -0.9999 3187313 PK04_096315 O=C/C=C/c1ccc(\C=C\c2ccccc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P20 compound treatment -0.0798 -0.0785 -3.06 -0.0955 -0.0954 -3.91 -4.9263 -0.9926 3187314 PK04_096316 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4cccs4)c2cc1O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P21 compound treatment -0.0238 -0.0225 -0.88 -0.0204 -0.0203 -0.83 -1.2082 -0.9997 3069028 PK04_096317 [O-][N+](=O)c1cccc(c1)C2N(C(=O)CS2(=O)=O)c3ccccc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P22 compound treatment -0.0318 -0.0305 -1.19 -0.0274 -0.0273 -1.12 -1.6315 -0.9996 3187315 PK04_096318 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P23 compound treatment -0.0348 -0.0335 -1.3 -0.0285 -0.0284 -1.16 -1.7445 -0.9984 3069029 PK04_096319 CCOc1ccc(cc1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)/C(=C\C=C\c4ccccc4OC)/C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2096 P24 compound treatment 0.0022 0.0035 0.14 -0.0305 -0.0303 -1.24 -0.7823 -0.6257 3187316 PK04_096320 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)C3CC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A01 compound treatment -0.0204 -0.0204 -0.8 -0.0055 -0.00475 -0.19 -0.7003 -0.855 2141518 PK04_097001 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A02 compound treatment -4.0E-4 -4.17E-4 -0.02 0.0385 0.0392 1.61 1.1249 0.6999 2141905 PK04_097002 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A03 compound treatment -0.2039 -0.204 -7.95 -0.2532 -0.252 -10.35 -12.9353 -0.9915 2141091 PK04_097003 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A04 compound treatment 0.0206 0.0206 0.8 0.0085 0.00919 0.38 0.8332 0.9406 2141692 PK04_097004 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A05 compound treatment 0.0326 0.0326 1.27 0.0255 0.0262 1.07 1.6573 0.9966 2141533 PK04_097005 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A06 compound treatment -0.1169 -0.117 -4.56 -0.1402 -0.139 -5.72 -7.263 -0.9937 2141714 PK04_097006 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A07 compound treatment 0.0066 0.00658 0.26 -0.0375 -0.0368 -1.51 -0.8855 -0.5786 2141463 PK04_097007 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A08 compound treatment -0.0114 -0.0115 -0.45 -0.0275 -0.0268 -1.1 -1.0927 -0.9212 2141076 PK04_097008 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A09 compound treatment -0.0524 -0.0524 -2.04 -0.0215 -0.0208 -0.85 -2.0456 -0.9247 2141109 PK04_097009 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A10 compound treatment -0.0014 -0.00142 -0.06 0.0115 0.0122 0.5 0.3149 0.6253 2141546 PK04_097010 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A11 compound treatment -0.0254 -0.0255 -0.99 -0.0255 -0.0248 -1.01 -1.4187 -0.9999 2141079 PK04_097011 OC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A12 compound treatment -0.0804 -0.0805 -3.13 -0.0645 -0.0638 -2.61 -4.064 -0.9959 2141141 PK04_097012 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A13 mock treatment -0.0164 -0.0164 -0.64 -0.0165 -0.0158 -0.65 -0.9106 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A14 mock treatment -0.0194 -0.0194 -0.76 -0.0085 -0.00782 -0.32 -0.7614 -0.9268 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A15 compound treatment 0.0116 0.0116 0.45 0.0195 0.0202 0.83 0.9049 0.9592 2141882 PK04_097013 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A16 compound treatment -0.0144 -0.0144 -0.56 -0.0065 -0.00578 -0.24 -0.5648 -0.9264 2141936 PK04_097014 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A17 compound treatment -0.0144 -0.0145 -0.56 -0.0225 -0.0218 -0.89 -1.0304 -0.9752 2141372 PK04_097015 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A18 compound treatment -0.0184 -0.0185 -0.72 -0.0175 -0.0168 -0.69 -0.9957 -0.9998 2141092 PK04_097016 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A19 compound treatment -0.0084 -0.00846 -0.33 -0.0045 -0.00379 -0.16 -0.3427 -0.9409 2141344 PK04_097017 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A20 compound treatment -0.0444 -0.0445 -1.73 -0.0545 -0.0538 -2.2 -2.7833 -0.9929 2141115 PK04_097018 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A21 compound treatment -0.0204 -0.0204 -0.8 -0.0015 -7.85E-4 -0.03 -0.5852 -0.7351 2141570 PK04_097019 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A22 compound treatment -0.0254 -0.0254 -0.99 -0.0395 -0.0388 -1.59 -1.8233 -0.9741 2141549 PK04_097020 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A23 compound treatment 0.0116 0.0116 0.45 0.0145 0.0152 0.62 0.7592 0.9875 2141876 PK04_097021 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 A24 compound treatment -0.0204 -0.0204 -0.8 -0.0165 -0.0158 -0.65 -1.0208 -0.9948 2141753 PK04_097022 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B01 compound treatment -0.0074 -0.00746 -0.29 -0.0015 -7.85E-4 -0.03 -0.2282 -0.7806 2141940 PK04_097023 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B02 compound treatment 0.0046 0.00458 0.18 -0.0055 -0.00479 -0.2 -0.0125 -0.0473 2142685 PK04_097024 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B03 compound treatment 0.0036 0.00358 0.14 -0.0065 -0.00579 -0.24 -0.0689 -0.2505 2141335 PK04_097025 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B04 compound treatment 0.0186 0.0186 0.72 -0.0055 -0.00479 -0.2 0.3733 0.4977 2143933 PK04_097026 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B05 compound treatment 0.0246 0.0246 0.96 0.0055 0.00619 0.25 0.8565 0.8645 2141445 PK04_097027 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B06 compound treatment 0.0026 0.00254 0.1 -0.0035 -0.00279 -0.11 -0.0106 -0.0704 2144925 PK04_097028 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B07 compound treatment 0.0076 0.00758 0.3 -0.0115 -0.0108 -0.44 -0.1027 -0.1936 2141881 PK04_097029 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B08 compound treatment 0.0246 0.0246 0.96 0.0225 0.0232 0.95 1.35 1.0 2144289 PK04_097030 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B09 compound treatment -0.0404 -0.0404 -1.57 -0.0405 -0.0398 -1.63 -2.2663 -0.9998 2141150 PK04_097031 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B10 compound treatment 0.0256 0.0256 1.0 0.0155 0.0162 0.66 1.1747 0.9806 2144633 PK04_097032 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B11 compound treatment 0.0206 0.0206 0.8 -0.0055 -0.00479 -0.2 0.4284 0.5189 2141161 PK04_097033 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B12 compound treatment 0.0136 0.0136 0.53 0.0165 0.0172 0.71 0.8731 0.99 2144765 PK04_097034 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B13 mock treatment 0.0066 0.00658 0.26 0.0185 0.0192 0.79 0.7373 0.8915 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B14 mock treatment 0.0216 0.0216 0.84 -5.0E-4 2.15E-4 0.01 0.6008 0.7145 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B15 compound treatment -0.0034 -0.00346 -0.13 -0.0115 -0.0108 -0.44 -0.4078 -0.8825 2141135 PK04_097035 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B16 compound treatment 0.0206 0.0206 0.8 0.0055 0.00622 0.25 0.7471 0.888 2144753 PK04_097036 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B17 compound treatment 0.0136 0.0136 0.53 5.0E-4 0.00121 0.05 0.4094 0.7702 2141225 PK04_097037 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B18 compound treatment 0.0286 0.0286 1.11 0.0185 0.0192 0.79 1.3434 0.9855 2144045 PK04_097038 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B19 compound treatment -0.2679 -0.268 -10.44 -0.2912 -0.29 -11.9 -15.7985 -0.9979 2141420 PK04_097039 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B20 compound treatment 0.0126 0.0126 0.49 0.0115 0.0122 0.5 0.6997 1.0 2144377 PK04_097040 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B21 compound treatment -0.3829 -0.383 -14.92 -0.4232 -0.422 -17.31 -22.7918 -0.9973 2141808 PK04_097041 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B22 compound treatment 0.0076 0.00758 0.3 -0.0125 -0.0118 -0.48 -0.1317 -0.2331 2143265 PK04_097042 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B23 compound treatment 0.0076 0.00758 0.3 -0.0125 -0.0118 -0.48 -0.1319 -0.2333 2141931 PK04_097043 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 B24 compound treatment 0.0186 0.0186 0.72 -0.0105 -0.00975 -0.4 0.2293 0.2772 2142705 PK04_097044 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C01 compound treatment -0.0224 -0.0225 -0.87 -0.0145 -0.0138 -0.56 -1.0173 -0.9774 2141223 PK04_097045 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C02 compound treatment -0.0334 -0.0335 -1.3 -0.0365 -0.0358 -1.47 -1.9587 -0.9983 2141108 PK04_097046 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C03 compound treatment -0.2899 -0.29 -11.3 -0.3172 -0.316 -12.97 -17.1583 -0.9976 2141329 PK04_097047 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C04 compound treatment 0.0026 0.00258 0.1 -0.0215 -0.0208 -0.85 -0.532 -0.6194 2141703 PK04_097048 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C05 compound treatment -0.0014 -0.00142 -0.06 -0.0315 -0.0308 -1.26 -0.932 -0.7373 2065845 PK04_097049 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C06 compound treatment -0.0054 -0.00546 -0.21 -0.0095 -0.00879 -0.36 -0.4051 -0.9684 2141782 PK04_097050 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C07 compound treatment -0.0564 -0.0564 -2.2 -0.0515 -0.0508 -2.08 -3.0259 -0.9996 2141574 PK04_097051 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C08 compound treatment 0.0116 0.0115 0.45 0.0085 0.00922 0.38 0.5851 0.9962 2141856 PK04_097052 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C09 compound treatment 0.0026 0.00258 0.1 -0.0065 -0.00579 -0.24 -0.0965 -0.3746 2141751 PK04_097053 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C10 compound treatment -0.0114 -0.0114 -0.44 0.0015 0.00222 0.09 -0.2503 -0.5513 2141441 PK04_097054 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C11 mock treatment -0.0014 -0.00146 -0.06 -0.0065 -0.00581 -0.24 -0.2086 -0.8517 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C12 mock treatment 0.0046 0.00454 0.18 0.0015 0.00222 0.09 0.1893 0.9519 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C13 compound treatment 0.0036 0.00358 0.14 0.0025 0.00322 0.13 0.1919 0.9996 2141937 PK04_097055 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C14 compound treatment 6.0E-4 5.83E-4 0.02 0.0045 0.00522 0.21 0.1672 0.7779 2141727 PK04_097056 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C15 mock treatment -0.0084 -0.00842 -0.33 -0.0035 -0.00278 -0.11 -0.3125 -0.9001 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C16 mock treatment 0.0056 0.00558 0.22 0.0025 0.00322 0.13 0.247 0.9712 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C17 compound treatment -0.0084 -0.00846 -0.33 -0.0095 -0.00876 -0.36 -0.4867 -0.9991 2141078 PK04_097057 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C18 compound treatment -0.0084 -0.00842 -0.33 -0.0115 -0.0108 -0.44 -0.5435 -0.9894 2141467 PK04_097058 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C19 compound treatment 0.0086 0.00858 0.33 0.0055 0.00622 0.25 0.4166 0.991 2141339 PK04_097059 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C20 compound treatment -0.0514 -0.0514 -2.0 -0.0475 -0.0468 -1.92 -2.7722 -0.9998 2141364 PK04_097060 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C21 compound treatment 0.0086 0.00854 0.33 0.0155 0.0162 0.66 0.7044 0.9491 2141370 PK04_097061 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C22 compound treatment -0.0174 -0.0175 -0.68 -0.0205 -0.0198 -0.81 -1.0534 -0.9962 2141489 PK04_097062 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C23 compound treatment 0.0046 0.00458 0.18 -0.0135 -0.0128 -0.52 -0.2442 -0.4412 2141706 PK04_097063 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 C24 compound treatment 0.0066 0.00658 0.26 -0.0055 -0.00475 -0.19 0.0436 0.1353 2141172 PK04_097064 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D01 compound treatment -0.0074 -0.00745 -0.29 -0.0105 -0.00979 -0.4 -0.4889 -0.9875 2141788 PK04_097065 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D02 compound treatment -0.0014 -0.00146 -0.06 -0.0075 -0.00678 -0.28 -0.2367 -0.8343 2143973 PK04_097066 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D03 compound treatment -0.0054 -0.00545 -0.21 -0.0045 -0.00379 -0.16 -0.2599 -0.988 2141854 PK04_097067 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D04 compound treatment -0.0334 -0.0334 -1.3 -0.0035 -0.00279 -0.11 -1.0013 -0.7662 2141969 PK04_097068 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D05 compound treatment -0.0144 -0.0144 -0.56 -0.0095 -0.00878 -0.36 -0.6517 -0.9769 2141087 PK04_097069 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D06 compound treatment -4.0E-4 -4.57E-4 -0.02 -0.0135 -0.0128 -0.52 -0.3831 -0.7307 2144657 PK04_097070 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D07 compound treatment -0.1479 -0.148 -5.76 -0.1542 -0.153 -6.29 -8.5229 -0.9991 2141768 PK04_097071 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D08 compound treatment 0.0056 0.00558 0.22 0.0135 0.0142 0.58 0.5649 0.9101 2144733 PK04_097072 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D09 compound treatment 0.0086 0.00858 0.33 -0.0285 -0.0278 -1.14 -0.5678 -0.4789 2141552 PK04_097073 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D10 compound treatment 0.0066 0.00658 0.26 0.0055 0.00622 0.25 0.3615 1.0 2143885 PK04_097074 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D11 mock treatment 0.0136 0.0136 0.53 0.0115 0.0122 0.5 0.7282 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D12 mock treatment -0.0034 -0.00346 -0.13 0.0115 0.0122 0.5 0.2587 0.4991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D13 compound treatment 0.0046 0.00458 0.18 -0.0105 -0.00976 -0.4 -0.1566 -0.3574 2141513 PK04_097075 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D14 compound treatment -0.0044 -0.00445 -0.17 0.0155 0.0162 0.66 0.3472 0.5055 2144449 PK04_097076 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D15 mock treatment -0.0164 -0.0164 -0.64 -0.0065 -0.00581 -0.24 -0.6208 -0.9095 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D16 mock treatment -4.0E-4 -4.55E-4 -0.02 0.0135 0.0142 0.58 0.3985 0.6852 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D17 compound treatment -0.0064 -0.00646 -0.25 0.0055 0.00622 0.25 0.0022 0.0062 2141816 PK04_097077 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D18 compound treatment -0.0134 -0.0134 -0.52 -0.0275 -0.0268 -1.1 -1.1458 -0.9424 2142085 PK04_097078 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D19 compound treatment 0.0026 0.00258 0.1 -0.0085 -0.00775 -0.32 -0.1536 -0.4607 2141432 PK04_097079 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D20 compound treatment 6.0E-4 5.83E-4 0.02 -0.0275 -0.0268 -1.1 -0.7601 -0.6923 2144825 PK04_097080 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D21 compound treatment -0.2709 -0.271 -10.56 -0.2832 -0.282 -11.58 -15.6494 -0.9989 2141123 PK04_097081 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D22 compound treatment 0.0186 0.0186 0.72 0.0055 0.00622 0.25 0.692 0.9017 2144893 PK04_097082 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D23 compound treatment 0.0106 0.0106 0.41 0.0185 0.0192 0.79 0.8475 0.9546 2141421 PK04_097083 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 D24 compound treatment 6.0E-4 5.43E-4 0.02 0.0055 0.00619 0.25 0.1942 0.7635 2143085 PK04_097084 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E01 mock treatment 0.0036 0.00354 0.14 0.0105 0.0112 0.46 0.4226 0.8806 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E02 mock treatment 0.0136 0.0136 0.53 0.0075 0.00822 0.34 0.6123 0.9762 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E03 compound treatment 0.0096 0.00954 0.37 0.0025 0.00322 0.13 0.3561 0.9027 2141878 PK04_097085 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E04 compound treatment 6.0E-4 5.83E-4 0.02 -0.0095 -0.00876 -0.36 -0.2376 -0.661 2141520 PK04_097086 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E05 compound treatment -0.0084 -0.00842 -0.33 -0.0255 -0.0248 -1.02 -0.9501 -0.8902 2141359 PK04_097087 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E06 compound treatment -0.0679 -0.0679 -2.65 -0.0715 -0.0708 -2.9 -3.9223 -0.9989 2141507 PK04_097088 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E07 compound treatment 0.0066 0.00658 0.26 -0.0045 -0.00379 -0.16 0.0717 0.2391 2141863 PK04_097089 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E08 compound treatment 0.0256 0.0256 1.0 0.0015 0.00222 0.09 0.769 0.7683 2141163 PK04_097090 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E09 mock treatment 0.0166 0.0166 0.65 0.0065 0.00722 0.3 0.666 0.9373 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E10 mock treatment 0.0216 0.0216 0.84 0.0195 0.0202 0.83 1.1795 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E11 compound treatment -0.2049 -0.205 -7.98 -0.1912 -0.19 -7.81 -11.1652 -0.9999 2141456 PK04_097091 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E12 compound treatment -0.0929 -0.0929 -3.62 -0.1072 -0.106 -4.36 -5.6455 -0.9957 2141683 PK04_097092 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E13 compound treatment 0.0186 0.0186 0.72 0.0075 0.00818 0.34 0.7491 0.9388 2141357 PK04_097093 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E14 compound treatment -0.2959 -0.296 -11.53 -0.2922 -0.291 -11.95 -16.5989 -0.9998 2141366 PK04_097094 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E15 compound treatment 0.0166 0.0166 0.65 -0.0085 -0.00779 -0.32 0.2313 0.3209 2141575 PK04_097095 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E16 compound treatment -0.0034 -0.00342 -0.13 -0.0025 -0.00178 -0.07 -0.1459 -0.9602 2141485 PK04_097096 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E17 mock treatment 0.0016 0.00154 0.06 0.0195 0.0202 0.83 0.6274 0.7565 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E18 mock treatment 0.0196 0.0196 0.76 0.0155 0.0162 0.66 1.0085 0.9976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E19 compound treatment 0.0096 0.00958 0.37 0.0225 0.0232 0.95 0.9367 0.9166 2141377 PK04_097097 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E20 compound treatment -0.1569 -0.157 -6.11 -0.1552 -0.154 -6.33 -8.7996 -0.9998 2141326 PK04_097098 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E21 compound treatment 0.0136 0.0135 0.53 0.0185 0.0192 0.79 0.929 0.9812 2141702 PK04_097099 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E22 compound treatment -0.0504 -0.0504 -1.96 -0.0785 -0.0778 -3.19 -3.643 -0.9729 2141417 PK04_097100 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E23 compound treatment 0.0026 0.00258 0.1 -0.0105 -0.00979 -0.4 -0.2124 -0.5137 2141167 PK04_097101 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 E24 compound treatment -0.0909 -0.0909 -3.54 -0.0812 -0.0805 -3.3 -4.837 -0.9994 2141113 PK04_097102 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F01 mock treatment 6.0E-4 5.43E-4 0.02 -0.0045 -0.00379 -0.16 -0.0947 -0.6051 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F02 mock treatment 0.0076 0.00754 0.29 -0.0105 -0.00982 -0.4 -0.0766 -0.1538 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F03 compound treatment 0.0096 0.00958 0.37 0.0065 0.00719 0.29 0.4722 0.9931 2141216 PK04_097103 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F04 compound treatment -0.0114 -0.0115 -0.45 0.0105 0.0112 0.46 0.0094 0.0146 2142933 PK04_097104 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F05 compound treatment 0.0186 0.0186 0.72 -0.0085 -0.00779 -0.32 0.2864 0.3619 2141355 PK04_097105 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F06 compound treatment 0.0146 0.0146 0.57 0.0085 0.00919 0.38 0.6679 0.98 2142833 PK04_097106 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F07 compound treatment -0.4699 -0.47 -18.31 -0.4852 -0.484 -19.85 -26.9843 -0.9992 2141414 PK04_097107 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F08 compound treatment 0.0146 0.0146 0.57 0.0055 0.00622 0.25 0.5818 0.9345 2144249 PK04_097108 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F09 mock treatment -0.0084 -0.00842 -0.33 0.0175 0.0182 0.75 0.2951 0.3625 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F10 mock treatment 0.0256 0.0256 1.0 0.0125 0.0132 0.54 1.0877 0.9589 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F11 compound treatment 0.0026 0.00258 0.1 5.0E-4 0.00121 0.05 0.1064 0.9474 2141568 PK04_097109 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F12 compound treatment 0.0166 0.0166 0.65 -0.0105 -0.00979 -0.4 0.1733 0.2279 2142765 PK04_097110 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F13 compound treatment 0.0386 0.0386 1.5 0.0525 0.0532 2.18 2.6041 0.9836 2141348 PK04_097111 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F14 compound treatment 0.0176 0.0176 0.69 0.0305 0.0312 1.28 1.3889 0.9572 2142645 PK04_097112 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F15 compound treatment -0.0134 -0.0134 -0.52 0.0115 0.0122 0.5 -0.0157 -0.0216 2141505 PK04_097113 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F16 compound treatment 0.0226 0.0226 0.88 0.0255 0.0262 1.07 1.3818 0.9951 2142977 PK04_097114 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F17 mock treatment 0.0066 0.00654 0.25 0.0085 0.00919 0.38 0.4464 0.982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F18 mock treatment 0.0136 0.0136 0.53 0.0255 0.0262 1.07 1.133 0.9469 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F19 compound treatment -0.0024 -0.00242 -0.09 -0.0075 -0.00679 -0.28 -0.2632 -0.8966 2141200 PK04_097115 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F20 compound treatment 0.0086 0.00858 0.33 0.0105 0.0112 0.46 0.5614 0.9878 2142045 PK04_097116 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F21 compound treatment 0.0076 0.00758 0.3 0.0075 0.00822 0.34 0.447 0.9979 2141938 PK04_097117 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F22 compound treatment 0.0086 0.00858 0.33 0.0115 0.0122 0.5 0.5895 0.981 2144373 PK04_097118 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F23 compound treatment 0.0196 0.0196 0.76 -0.0105 -0.00981 -0.4 0.2551 0.2958 2141419 PK04_097119 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 F24 compound treatment 0.0086 0.00858 0.33 0.0175 0.0182 0.75 0.7643 0.9344 2142769 PK04_097120 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G01 compound treatment -0.0034 -0.00342 -0.13 -0.0255 -0.0248 -1.02 -0.8124 -0.793 2141178 PK04_097121 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G02 compound treatment -0.0154 -0.0155 -0.6 -0.0145 -0.0138 -0.56 -0.8244 -0.9995 2141487 PK04_097122 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G03 mock treatment -0.0174 -0.0174 -0.68 -0.0125 -0.0118 -0.48 -0.8222 -0.9863 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G04 mock treatment 0.0096 0.00954 0.37 -0.0035 -0.00279 -0.11 0.1822 0.4685 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G05 compound treatment -0.0104 -0.0104 -0.41 -0.0045 -0.00376 -0.15 -0.3958 -0.9119 2141519 PK04_097123 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G06 compound treatment -0.0244 -0.0245 -0.95 -0.0195 -0.0188 -0.77 -1.2173 -0.9943 2141537 PK04_097124 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G07 compound treatment 0.0176 0.0176 0.69 0.0105 0.0112 0.46 0.8085 0.9809 2141722 PK04_097125 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G08 compound treatment 0.0056 0.00558 0.22 -0.0105 -0.00979 -0.4 -0.1297 -0.2844 2141577 PK04_097126 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G09 compound treatment 0.0046 0.00458 0.18 0.0015 0.00222 0.09 0.1904 0.9508 2141458 PK04_097127 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G10 compound treatment -0.1219 -0.122 -4.75 -0.1052 -0.104 -4.28 -6.3865 -0.9987 2141190 PK04_097128 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G11 compound treatment -0.0164 -0.0165 -0.64 -0.0345 -0.0338 -1.38 -1.4317 -0.9389 2141333 PK04_097129 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G12 compound treatment -0.3839 -0.384 -14.96 -0.4052 -0.404 -16.58 -22.2977 -0.9987 2141508 PK04_097130 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G13 compound treatment -0.0244 -0.0245 -0.95 -0.0325 -0.0318 -1.3 -1.594 -0.9883 2141118 PK04_097131 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G14 compound treatment 6.0E-4 5.83E-4 0.02 0.0045 0.00522 0.21 0.1672 0.7779 2141927 PK04_097132 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G15 compound treatment -0.0354 -0.0354 -1.38 -0.0305 -0.0298 -1.22 -1.8388 -0.9981 2141159 PK04_097133 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G16 compound treatment -0.0794 -0.0795 -3.1 -0.0945 -0.0938 -3.84 -4.9067 -0.9942 2141713 PK04_097134 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G17 compound treatment 0.0136 0.0136 0.53 0.0015 0.00222 0.09 0.4384 0.8165 2141795 PK04_097135 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G18 compound treatment -0.0144 -0.0144 -0.56 -0.0175 -0.0168 -0.69 -0.8836 -0.9949 2141553 PK04_097136 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G19 mock treatment -0.0014 -0.00146 -0.06 -0.0115 -0.0108 -0.44 -0.3535 -0.7912 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G20 mock treatment -0.0234 -0.0234 -0.91 -0.0055 -0.00478 -0.2 -0.7837 -0.8399 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G21 compound treatment -0.0034 -0.00346 -0.13 -0.0145 -0.0138 -0.57 -0.4955 -0.8515 2141819 PK04_097137 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G22 compound treatment -0.0174 -0.0174 -0.68 -0.0225 -0.0218 -0.89 -1.1102 -0.9909 2141516 PK04_097138 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G23 compound treatment -0.0014 -0.00146 -0.06 -0.0035 -0.00279 -0.11 -0.1208 -0.948 2141691 PK04_097139 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 G24 compound treatment -0.0654 -0.0654 -2.55 -0.0465 -0.0458 -1.88 -3.1281 -0.9886 2141155 PK04_097140 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H01 compound treatment -0.0274 -0.0274 -1.07 -0.0335 -0.0328 -1.34 -1.7045 -0.9936 2141157 PK04_097141 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H02 compound treatment -0.0064 -0.00646 -0.25 0.0195 0.0202 0.83 0.407 0.4708 2143037 PK04_097142 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H03 mock treatment 6.0E-4 5.43E-4 0.02 -0.0085 -0.00779 -0.32 -0.2106 -0.6588 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H04 mock treatment -4.0E-4 -4.57E-4 -0.02 -5.0E-4 2.15E-4 0.01 -0.0064 -0.3202 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H05 compound treatment 0.0096 0.00958 0.37 0.0035 0.00422 0.17 0.3861 0.9387 2141926 PK04_097143 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H06 compound treatment 0.0046 0.00454 0.18 -0.0065 -0.00579 -0.24 -0.0425 -0.1436 2143177 PK04_097144 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H07 compound treatment -0.0174 -0.0175 -0.68 -0.0115 -0.0108 -0.44 -0.7935 -0.9782 2141694 PK04_097145 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H08 compound treatment 0.0156 0.0156 0.61 0.0065 0.00722 0.3 0.6384 0.9453 2143025 PK04_097146 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H09 compound treatment -0.0104 -0.0104 -0.41 -0.0195 -0.0188 -0.77 -0.8305 -0.9555 2141749 PK04_097147 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H10 compound treatment 0.0016 0.00158 0.06 0.0205 0.0212 0.87 0.6584 0.7554 2143077 PK04_097148 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H11 compound treatment -0.2389 -0.239 -9.31 -0.2382 -0.237 -9.73 -13.464 -0.9998 2141097 PK04_097149 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H12 compound treatment -4.0E-4 -4.57E-4 -0.02 -0.0055 -0.00475 -0.19 -0.1504 -0.7685 2142913 PK04_097150 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H13 compound treatment 0.0136 0.0136 0.53 -0.0255 -0.0248 -1.02 -0.344 -0.3004 2141401 PK04_097151 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H14 compound treatment 0.0066 0.00654 0.25 0.0015 0.00222 0.09 0.2444 0.9033 2143093 PK04_097152 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H15 compound treatment -0.0054 -0.00542 -0.21 -0.0105 -0.00979 -0.4 -0.4328 -0.9551 2141777 PK04_097153 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H16 compound treatment 0.0056 0.00558 0.22 -0.0265 -0.0258 -1.06 -0.5925 -0.5498 2143865 PK04_097154 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H17 compound treatment -0.0204 -0.0204 -0.8 -0.0375 -0.0368 -1.51 -1.6276 -0.9555 2141142 PK04_097155 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H18 compound treatment -0.0024 -0.00245 -0.1 -0.0065 -0.00579 -0.24 -0.2354 -0.9202 2143925 PK04_097156 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H19 mock treatment -0.0044 -0.00446 -0.17 -0.0075 -0.00679 -0.28 -0.3194 -0.9743 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H20 mock treatment 0.0016 0.00154 0.06 -0.0115 -0.0108 -0.44 -0.2709 -0.6057 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H21 compound treatment -0.0124 -0.0125 -0.49 -0.0185 -0.0178 -0.73 -0.8577 -0.9806 2141168 PK04_097157 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H22 compound treatment -0.0034 -0.00346 -0.13 -0.0015 -7.83E-4 -0.03 -0.1179 -0.8518 2143057 PK04_097158 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H23 compound treatment -0.0084 -0.00846 -0.33 0.0055 0.00619 0.25 -0.0538 -0.1293 2141804 PK04_097159 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 H24 compound treatment 0.0026 0.00258 0.1 -0.0095 -0.00876 -0.36 -0.1827 -0.49 2142649 PK04_097160 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I01 compound treatment 0.0156 0.0156 0.61 0.0055 0.00619 0.25 0.6085 0.9249 2141890 PK04_097161 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I02 compound treatment -0.0214 -0.0215 -0.84 -0.0175 -0.0168 -0.69 -1.0766 -0.9952 2141465 PK04_097162 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I03 compound treatment -0.0294 -0.0294 -1.15 -0.0445 -0.0438 -1.79 -2.0783 -0.9766 2141772 PK04_097163 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I04 compound treatment -0.0154 -0.0155 -0.6 -0.0245 -0.0238 -0.98 -1.1159 -0.9731 2141343 PK04_097164 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I05 mock treatment -0.0064 -0.00646 -0.25 0.0075 0.00822 0.34 0.0602 0.1433 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I06 mock treatment -0.0094 -0.00942 -0.37 -0.0055 -0.00478 -0.2 -0.398 -0.9569 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I07 compound treatment -0.0094 -0.00942 -0.37 -5.0E-4 2.15E-4 0.01 -0.2532 -0.6899 2141794 PK04_097165 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I08 compound treatment -4.0E-4 -4.57E-4 -0.02 -0.0205 -0.0198 -0.81 -0.5868 -0.7224 2141922 PK04_097166 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I09 compound treatment 0.0276 0.0276 1.07 -0.0135 -0.0128 -0.52 0.3894 0.3257 2141780 PK04_097167 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I10 compound treatment -0.1259 -0.126 -4.91 -0.1132 -0.112 -4.61 -6.7285 -0.9995 2141799 PK04_097168 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I11 compound treatment -0.0134 -0.0135 -0.52 -0.0095 -0.00876 -0.36 -0.6244 -0.9829 2141177 PK04_097169 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I12 compound treatment -0.0064 -0.00642 -0.25 -0.0255 -0.0248 -1.01 -0.8941 -0.8558 2141747 PK04_097170 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I13 compound treatment 0.0076 0.00758 0.3 -0.0115 -0.0108 -0.44 -0.1027 -0.1936 2141423 PK04_097171 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I14 compound treatment -0.0084 -0.00846 -0.33 -0.0175 -0.0168 -0.69 -0.7185 -0.9434 2141775 PK04_097172 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I15 compound treatment -0.2889 -0.289 -11.26 -0.3062 -0.305 -12.52 -16.8109 -0.9986 2141538 PK04_097173 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I16 compound treatment -0.0824 -0.0824 -3.21 -0.0815 -0.0808 -3.31 -4.6115 -0.9999 2065871 PK04_097174 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I17 compound treatment 0.0106 0.0106 0.41 -0.0195 -0.0188 -0.77 -0.2519 -0.2888 2141729 PK04_097175 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I18 compound treatment 0.0146 0.0146 0.57 -0.0145 -0.0138 -0.56 0.0023 0.0029 2141892 PK04_097176 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I19 compound treatment -0.0244 -0.0244 -0.95 -0.0065 -0.00579 -0.24 -0.8403 -0.8571 2141687 PK04_097177 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I20 compound treatment -0.1499 -0.15 -5.84 -0.2252 -0.224 -9.2 -10.6354 -0.976 2141680 PK04_097178 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I21 mock treatment 0.0086 0.00854 0.33 -0.0155 -0.0148 -0.61 -0.1939 -0.2801 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I22 mock treatment -0.0034 -0.00346 -0.13 0.0055 0.00622 0.25 0.0849 0.2945 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I23 compound treatment 6.0E-4 5.83E-4 0.02 -0.0065 -0.00575 -0.24 -0.1507 -0.6361 2141841 PK04_097179 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 I24 compound treatment -0.0124 -0.0125 -0.49 -0.0355 -0.0348 -1.43 -1.352 -0.8972 2141766 PK04_097180 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J01 compound treatment -0.0054 -0.00546 -0.21 -0.0155 -0.0148 -0.61 -0.5796 -0.9011 2141705 PK04_097181 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J02 compound treatment -0.0344 -0.0344 -1.34 -0.0155 -0.0148 -0.6 -1.3757 -0.9353 2143397 PK04_097182 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J03 compound treatment -0.0164 -0.0165 -0.64 -0.0395 -0.0388 -1.59 -1.5782 -0.9202 2141179 PK04_097183 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J04 compound treatment 0.0056 0.00554 0.22 -0.0085 -0.00778 -0.32 -0.0728 -0.1891 2144337 PK04_097184 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J05 mock treatment -0.0064 -0.00646 -0.25 -0.0035 -0.00279 -0.11 -0.2586 -0.9361 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J06 mock treatment -0.0044 -0.00446 -0.17 0.0085 0.00921 0.38 0.1442 0.347 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J07 compound treatment -0.0064 -0.00642 -0.25 -0.0195 -0.0188 -0.77 -0.7203 -0.8912 2141805 PK04_097185 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J08 compound treatment 6.0E-4 5.83E-4 0.02 -0.0145 -0.0138 -0.56 -0.3825 -0.6781 2143365 PK04_097186 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J09 compound treatment 0.0106 0.0106 0.41 -0.0095 -0.00876 -0.36 0.0379 0.0693 2141901 PK04_097187 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J10 compound treatment -0.0034 -0.00346 -0.13 -5.0E-4 2.17E-4 0.01 -0.089 -0.659 2144881 PK04_097188 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J11 compound treatment -0.0804 -0.0804 -3.13 -0.0942 -0.0935 -3.83 -4.9236 -0.995 2141717 PK04_097189 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J12 compound treatment 0.0056 0.00558 0.22 0.0085 0.00919 0.38 0.42 0.966 2143405 PK04_097190 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J13 compound treatment -0.0294 -0.0294 -1.15 -0.0155 -0.0148 -0.6 -1.2381 -0.9554 2141188 PK04_097191 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J14 compound treatment -0.0104 -0.0105 -0.41 -0.0065 -0.00575 -0.24 -0.4549 -0.9662 2142929 PK04_097192 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J15 compound treatment -0.1299 -0.13 -5.06 -0.1532 -0.152 -6.25 -7.9969 -0.9945 2141365 PK04_097193 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J16 compound treatment -0.0034 -0.00342 -0.13 -0.0205 -0.0198 -0.81 -0.6666 -0.8125 2144325 PK04_097194 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J17 compound treatment 0.0106 0.0106 0.41 -0.0185 -0.0178 -0.73 -0.2231 -0.2667 2141221 PK04_097195 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J18 compound treatment -0.0224 -0.0225 -0.87 -0.0255 -0.0248 -1.01 -1.336 -0.9973 2143377 PK04_097196 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J19 compound treatment 0.0026 0.00258 0.1 -0.0165 -0.0158 -0.65 -0.3871 -0.5902 2141815 PK04_097197 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J20 compound treatment 0.0076 0.00758 0.3 -0.0185 -0.0178 -0.73 -0.3056 -0.3891 2142585 PK04_097198 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J21 mock treatment 0.0056 0.00554 0.22 0.0065 0.00722 0.3 0.3618 0.9881 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J22 mock treatment 0.0076 0.00755 0.29 -0.0195 -0.0188 -0.77 -0.3373 -0.4088 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J23 compound treatment 0.0296 0.0296 1.15 -0.0055 -0.00479 -0.2 0.6763 0.5785 2141186 PK04_097199 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 J24 compound treatment -0.0034 -0.00346 -0.13 -0.0065 -0.00579 -0.24 -0.263 -0.964 2144237 PK04_097200 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K01 compound treatment 0.0126 0.0126 0.49 -0.0215 -0.0208 -0.85 -0.2557 -0.2601 2141164 PK04_097201 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K02 compound treatment 0.0156 0.0156 0.61 -0.0025 -0.00178 -0.07 0.3776 0.6174 2141443 PK04_097202 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K03 compound treatment 6.0E-4 5.43E-4 0.02 -0.0175 -0.0168 -0.69 -0.4723 -0.6851 2141548 PK04_097203 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K04 compound treatment 0.0136 0.0136 0.53 0.0165 0.0172 0.71 0.8731 0.99 2141351 PK04_097204 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K05 compound treatment -0.0024 -0.00246 -0.1 -0.0015 -7.85E-4 -0.03 -0.0904 -0.8955 2141786 PK04_097205 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K06 compound treatment -0.0034 -0.00346 -0.13 -0.0065 -0.00579 -0.24 -0.2629 -0.9641 2141746 PK04_097206 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K07 mock treatment -0.0314 -0.0314 -1.22 0.0055 0.00622 0.25 -0.6854 -0.5482 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K08 mock treatment -0.0134 -0.0134 -0.52 0.0015 0.00222 0.09 -0.3054 -0.5757 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K09 compound treatment -0.0124 -0.0124 -0.48 -0.0045 -0.00379 -0.16 -0.4518 -0.8892 2141350 PK04_097207 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K10 compound treatment -0.0474 -0.0474 -1.85 -0.0405 -0.0398 -1.63 -2.4592 -0.9981 2141331 PK04_097208 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K11 compound treatment -0.2769 -0.277 -10.79 -0.2642 -0.263 -10.8 -15.2641 -1.0 2141806 PK04_097209 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K12 compound treatment -0.1149 -0.115 -4.48 -0.1342 -0.133 -5.47 -7.034 -0.9951 2141720 PK04_097210 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K13 compound treatment -0.0414 -0.0414 -1.61 -0.0235 -0.0228 -0.93 -1.8004 -0.966 2141904 PK04_097211 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K14 compound treatment -0.0684 -0.0684 -2.67 -0.0755 -0.0748 -3.06 -4.0519 -0.9976 2141222 PK04_097212 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K15 mock treatment 0.0036 0.00354 0.14 -0.0035 -0.00279 -0.11 0.0169 0.0944 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K16 mock treatment -0.0044 -0.00445 -0.17 -0.0035 -0.00279 -0.11 -0.2034 -0.9793 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K17 compound treatment -0.0624 -0.0624 -2.43 -0.0565 -0.0558 -2.29 -3.3353 -0.9995 2141773 PK04_097213 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K18 compound treatment -0.0074 -0.00742 -0.29 -0.0365 -0.0358 -1.47 -1.2404 -0.8306 2141524 PK04_097214 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K19 compound treatment -0.0014 -0.00146 -0.06 -0.0245 -0.0238 -0.98 -0.7302 -0.747 2141218 PK04_097215 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K20 compound treatment -0.0474 -0.0475 -1.85 -0.0375 -0.0368 -1.51 -2.3725 -0.9948 2141861 PK04_097216 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K21 compound treatment -0.0344 -0.0344 -1.34 -0.0395 -0.0388 -1.59 -2.0721 -0.9964 2141117 PK04_097217 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K22 compound treatment -0.0024 -0.00242 -0.09 -0.0045 -0.00379 -0.16 -0.1763 -0.9714 2141354 PK04_097218 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K23 mock treatment -0.0054 -0.00542 -0.21 -0.0065 -0.00581 -0.24 -0.3177 -0.9982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 K24 mock treatment -0.0104 -0.0104 -0.41 -0.0035 -0.00279 -0.11 -0.3677 -0.8721 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L01 compound treatment -0.0989 -0.0989 -3.85 -0.0942 -0.0935 -3.83 -5.4341 -1.0 2141684 PK04_097219 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L02 compound treatment 0.0016 0.00158 0.06 -5.0E-4 2.15E-4 0.01 0.0498 0.8 2143489 PK04_097220 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L03 compound treatment 0.0196 0.0196 0.76 0.0165 0.0172 0.7 1.0375 0.9992 2141375 PK04_097221 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L04 compound treatment 0.0036 0.00358 0.14 -0.0025 -0.00178 -0.07 0.047 0.2981 2143313 PK04_097222 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L05 compound treatment 6.0E-4 5.43E-4 0.02 0.0015 0.00222 0.09 0.0791 0.8491 2141889 PK04_097223 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L06 compound treatment 0.0216 0.0216 0.84 0.0015 0.00222 0.09 0.6588 0.7789 2144793 PK04_097224 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L07 mock treatment -4.0E-4 -4.57E-4 -0.02 -0.0025 -0.00178 -0.07 -0.0643 -0.8543 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L08 mock treatment 0.0056 0.00558 0.22 -0.0055 -0.00481 -0.2 0.0143 0.0486 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L09 compound treatment 0.0266 0.0266 1.04 0.0185 0.0192 0.79 1.2883 0.9908 2141438 PK04_097225 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L10 compound treatment -0.0054 -0.00546 -0.21 0.0125 0.0132 0.54 0.2318 0.3991 2142993 PK04_097226 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L11 compound treatment 0.0036 0.00354 0.14 0.0085 0.00921 0.38 0.3646 0.9069 2141185 PK04_097227 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L12 compound treatment 0.0146 0.0146 0.57 0.0055 0.00622 0.25 0.5818 0.9345 2144653 PK04_097228 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L13 compound treatment 0.0046 0.00458 0.18 5.0E-4 0.00121 0.05 0.1615 0.8711 2141893 PK04_097229 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L14 compound treatment -0.0034 -0.00342 -0.13 -0.0145 -0.0138 -0.56 -0.4936 -0.8504 2143417 PK04_097230 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L15 mock treatment 0.0076 0.00758 0.3 -0.0025 -0.00178 -0.07 0.1572 0.5164 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L16 mock treatment 0.0076 0.00758 0.3 0.0045 0.00522 0.21 0.36 0.9874 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L17 compound treatment 0.0156 0.0156 0.61 0.0145 0.0152 0.62 0.8702 0.9999 2141152 PK04_097231 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L18 compound treatment 0.0186 0.0186 0.72 -0.0025 -0.00178 -0.07 0.4602 0.6324 2143325 PK04_097232 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L19 compound treatment 0.0146 0.0146 0.57 -0.0015 -7.85E-4 -0.03 0.379 0.666 2141709 PK04_097233 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L20 compound treatment 0.0116 0.0116 0.45 -0.0075 -0.00679 -0.28 0.1225 0.2311 2142773 PK04_097234 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L21 compound treatment 0.0026 0.00254 0.1 0.0045 0.00522 0.21 0.2212 0.9389 2141174 PK04_097235 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L22 compound treatment 0.0226 0.0226 0.88 0.0165 0.0172 0.71 1.121 0.994 2142985 PK04_097236 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L23 mock treatment 0.0186 0.0186 0.72 0.0095 0.0102 0.42 0.808 0.9661 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 L24 mock treatment 0.0206 0.0206 0.8 0.0135 0.0142 0.58 0.9781 0.9875 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M01 compound treatment 0.0156 0.0156 0.61 0.0075 0.00822 0.34 0.6674 0.9613 2141838 PK04_097237 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M02 compound treatment -0.0054 -0.00542 -0.21 -0.0295 -0.0288 -1.18 -0.9825 -0.8207 2141189 PK04_097238 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M03 compound treatment 6.0E-4 5.43E-4 0.02 0.0055 0.00622 0.25 0.1951 0.7632 2141724 PK04_097239 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M04 compound treatment -0.3249 -0.325 -12.66 -0.3252 -0.324 -13.3 -18.3541 -0.9997 2141153 PK04_097240 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M05 compound treatment 0.0076 0.00758 0.3 -0.0045 -0.00379 -0.16 0.0992 0.2974 2141436 PK04_097241 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M06 compound treatment 0.0146 0.0146 0.57 0.0145 0.0152 0.62 0.8426 0.9989 2141769 PK04_097242 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M07 compound treatment 0.0126 0.0126 0.49 0.0155 0.0162 0.66 0.8165 0.9888 2141771 PK04_097243 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M08 compound treatment 0.0036 0.00358 0.14 -0.0035 -0.00279 -0.11 0.018 0.0999 2141480 PK04_097244 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M09 mock treatment 0.0036 0.00354 0.14 0.0055 0.00622 0.25 0.2777 0.9586 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M10 mock treatment -0.0054 -0.00546 -0.21 -0.0095 -0.00878 -0.36 -0.4048 -0.9685 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M11 compound treatment 0.0046 0.00458 0.18 -0.0115 -0.0108 -0.44 -0.1863 -0.3908 2141571 PK04_097245 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M12 compound treatment 0.0546 0.0546 2.13 0.0045 0.00519 0.21 1.654 0.7739 2141879 PK04_097246 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M13 mock treatment -0.0044 -0.00446 -0.17 -0.0055 -0.00479 -0.2 -0.2614 -0.9982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M14 mock treatment 0.0116 0.0116 0.45 0.0105 0.0112 0.46 0.6432 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M15 compound treatment -0.0074 -0.00746 -0.29 -0.0175 -0.0168 -0.69 -0.691 -0.9268 2141832 PK04_097247 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M16 compound treatment -0.1289 -0.129 -5.02 -0.1682 -0.167 -6.86 -8.4041 -0.9882 2141542 PK04_097248 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M17 compound treatment -0.0024 -0.00242 -0.09 0.0105 0.0112 0.46 0.2584 0.5508 2141399 PK04_097249 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M18 compound treatment -0.0014 -0.00142 -0.06 -0.0045 -0.00379 -0.16 -0.1487 -0.9033 2141903 PK04_097250 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M19 compound treatment 0.0386 0.0386 1.5 0.0155 0.0162 0.66 1.5328 0.9326 2141716 PK04_097251 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M20 compound treatment -0.0054 -0.00542 -0.21 -5.0E-4 2.15E-4 0.01 -0.143 -0.677 2141203 PK04_097252 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M21 compound treatment -0.0814 -0.0815 -3.17 -0.1002 -0.0995 -4.08 -5.1262 -0.9923 2141110 PK04_097253 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M22 compound treatment 0.0126 0.0126 0.49 0.0025 0.00322 0.13 0.4398 0.8664 2141731 PK04_097254 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M23 compound treatment -0.0274 -0.0274 -1.07 -0.0495 -0.0488 -2.0 -2.1681 -0.957 2141095 PK04_097255 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 M24 compound treatment -0.0094 -0.00946 -0.37 -0.0135 -0.0128 -0.52 -0.6303 -0.9853 2141894 PK04_097256 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N01 compound treatment -0.0104 -0.0105 -0.41 5.0E-4 0.00121 0.05 -0.2529 -0.6161 2141340 PK04_097257 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N02 compound treatment -0.0284 -0.0285 -1.11 -0.0265 -0.0258 -1.06 -1.5303 -0.9997 2142089 PK04_097258 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N03 compound treatment -0.0054 -0.00542 -0.21 -0.0315 -0.0308 -1.26 -1.0413 -0.8141 2141511 PK04_097259 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N04 compound treatment -0.0384 -0.0385 -1.5 -0.0505 -0.0498 -2.04 -2.5012 -0.9885 2144305 PK04_097260 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N05 compound treatment -0.0094 -0.00946 -0.37 -0.0075 -0.00679 -0.28 -0.4571 -0.9904 2141839 PK04_097261 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N06 compound treatment -0.0174 -0.0175 -0.68 -0.0195 -0.0188 -0.77 -1.0244 -0.9981 2142057 PK04_097262 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N07 compound treatment -0.0254 -0.0255 -0.99 0.0035 0.00422 0.17 -0.5792 -0.5753 2141431 PK04_097263 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N08 compound treatment -0.0324 -0.0324 -1.26 -0.0055 -0.00479 -0.2 -1.0317 -0.8072 2144369 PK04_097264 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N09 mock treatment -0.0304 -0.0304 -1.19 -0.0225 -0.0218 -0.89 -1.4701 -0.9903 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N10 mock treatment -4.0E-4 -4.55E-4 -0.02 0.0015 0.00222 0.09 0.0517 0.5586 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N11 compound treatment -0.0104 -0.0105 -0.41 -0.0365 -0.0358 -1.47 -1.3251 -0.8706 2141527 PK04_097265 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N12 compound treatment -0.0104 -0.0104 -0.41 -0.0155 -0.0148 -0.61 -0.7154 -0.981 2144009 PK04_097266 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N13 mock treatment 0.0026 0.00254 0.1 -0.0065 -0.00578 -0.24 -0.0975 -0.3797 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N14 mock treatment 0.0056 0.00554 0.22 -0.0075 -0.00679 -0.28 -0.0439 -0.1247 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N15 compound treatment -0.0344 -0.0345 -1.34 -0.0055 -0.00479 -0.2 -1.0879 -0.8019 2141907 PK04_097267 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N16 compound treatment -0.0024 -0.00246 -0.1 -0.0155 -0.0148 -0.6 -0.4953 -0.809 2143157 PK04_097268 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N17 compound treatment -0.1029 -0.103 -4.01 -0.1182 -0.117 -4.81 -6.24 -0.9959 2141544 PK04_097269 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N18 compound treatment 0.0016 0.00158 0.06 -0.0115 -0.0108 -0.44 -0.268 -0.6023 2144297 PK04_097270 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N19 compound treatment -0.0054 -0.00546 -0.21 -0.0165 -0.0158 -0.65 -0.6086 -0.8923 2141483 PK04_097271 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N20 compound treatment -0.0034 -0.00342 -0.13 -5.0E-4 2.15E-4 0.01 -0.0879 -0.6589 2142217 PK04_097272 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N21 compound treatment 0.0206 0.0206 0.8 0.0065 0.00722 0.3 0.7761 0.9081 2141887 PK04_097273 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N22 compound treatment 0.0066 0.00654 0.25 -0.0015 -7.9E-4 -0.03 0.1574 0.6124 2143065 PK04_097274 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N23 compound treatment 0.0076 0.00758 0.3 -0.0045 -0.00379 -0.16 0.0991 0.2968 2141817 PK04_097275 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 N24 compound treatment -0.0124 -0.0124 -0.48 -0.0255 -0.0248 -1.01 -1.0594 -0.9426 2144333 PK04_097276 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O01 compound treatment -0.0074 -0.00746 -0.29 -0.0035 -0.00276 -0.11 -0.2853 -0.9152 2141166 PK04_097277 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O02 compound treatment 0.0046 0.00454 0.18 -0.0025 -0.00178 -0.07 0.0734 0.3834 2141900 PK04_097278 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O03 compound treatment 0.0016 0.00158 0.06 -0.0135 -0.0128 -0.53 -0.3277 -0.6198 2141790 PK04_097279 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O04 compound treatment 0.0096 0.00958 0.37 0.0105 0.0112 0.46 0.5881 0.9948 2141883 PK04_097280 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O05 compound treatment 0.0036 0.00358 0.14 -0.0085 -0.00779 -0.32 -0.1269 -0.3644 2141427 PK04_097281 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O06 compound treatment -0.0234 -0.0234 -0.91 -0.0215 -0.0208 -0.85 -1.2466 -0.9994 2141093 PK04_097282 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O07 compound treatment -0.0054 -0.00546 -0.21 0.0065 0.00719 0.29 0.0579 0.1595 2141812 PK04_097283 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O08 compound treatment -0.0024 -0.00242 -0.09 -0.0175 -0.0168 -0.69 -0.5523 -0.7966 2141430 PK04_097284 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O09 compound treatment -4.0E-4 -4.17E-4 -0.02 0.0025 0.00322 0.13 0.0817 0.6152 2141454 PK04_097285 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O10 compound treatment -0.0154 -0.0155 -0.6 -0.0295 -0.0288 -1.18 -1.26 -0.9513 2141529 PK04_097286 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O11 mock treatment 0.0026 0.00254 0.1 -0.0095 -0.00878 -0.36 -0.1845 -0.4941 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O12 mock treatment 0.0056 0.00554 0.22 -0.0205 -0.0198 -0.81 -0.4215 -0.5016 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O13 compound treatment -0.0134 -0.0134 -0.52 -0.0105 -0.00979 -0.4 -0.6532 -0.9914 2141368 PK04_097287 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O14 compound treatment -0.0699 -0.0699 -2.72 -0.0922 -0.0915 -3.75 -4.5772 -0.9877 2141362 PK04_097288 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O15 compound treatment 0.0236 0.0236 0.92 0.0085 0.00919 0.38 0.9159 0.9224 2141460 PK04_097289 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O16 compound treatment -0.0114 -0.0114 -0.44 -5.0E-4 2.15E-4 0.01 -0.3083 -0.693 2141860 PK04_097290 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O17 compound treatment 0.0246 0.0246 0.96 0.0265 0.0272 1.12 1.4659 0.9971 2141175 PK04_097291 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O18 compound treatment 0.0036 0.00358 0.14 -0.0215 -0.0208 -0.85 -0.5036 -0.5834 2141486 PK04_097292 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O19 compound treatment -0.0414 -0.0414 -1.61 -0.0655 -0.0648 -2.65 -3.0183 -0.9715 2141156 PK04_097293 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O20 compound treatment -0.0824 -0.0825 -3.21 -0.0855 -0.0848 -3.47 -4.7285 -0.9992 2141685 PK04_097294 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O21 compound treatment -0.2579 -0.258 -10.05 -0.3172 -0.316 -12.97 -16.2757 -0.992 2141094 PK04_097295 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O22 compound treatment 0.0256 0.0256 1.0 -0.0015 -7.85E-4 -0.03 0.682 0.6839 2141379 PK04_097296 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O23 compound treatment 0.0196 0.0196 0.76 -0.0065 -0.00579 -0.24 0.3719 0.4654 2141397 PK04_097297 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 O24 compound treatment -0.2499 -0.25 -9.74 -0.2952 -0.294 -12.07 -15.4197 -0.9943 2065842 PK04_097298 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P01 compound treatment -0.0394 -0.0394 -1.54 -0.0335 -0.0328 -1.34 -2.0368 -0.9978 2141898 PK04_097299 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P02 compound treatment -0.0154 -0.0155 -0.6 -0.0125 -0.0118 -0.48 -0.7673 -0.994 2143305 PK04_097300 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P03 compound treatment -0.0304 -0.0305 -1.19 -0.0165 -0.0158 -0.65 -1.2956 -0.9591 2141555 PK04_097301 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P04 compound treatment -0.0134 -0.0135 -0.52 -0.0215 -0.0208 -0.85 -0.9739 -0.9727 2144945 PK04_097302 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P05 compound treatment -0.0094 -0.00945 -0.37 -0.0165 -0.0158 -0.65 -0.7187 -0.9642 2141923 PK04_097303 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P06 compound treatment -0.0324 -0.0325 -1.26 -0.0275 -0.0268 -1.1 -1.6712 -0.9976 2144433 PK04_097304 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P07 compound treatment -0.0374 -0.0374 -1.46 -0.0275 -0.0268 -1.1 -1.8079 -0.9903 2141482 PK04_097305 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P08 compound treatment -0.0214 -0.0215 -0.84 -0.0095 -0.00876 -0.36 -0.8448 -0.9287 2143929 PK04_097306 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P09 compound treatment -0.0064 -0.00646 -0.25 -0.0235 -0.0228 -0.93 -0.839 -0.8665 2141698 PK04_097307 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P10 compound treatment -0.0204 -0.0205 -0.8 -0.0325 -0.0318 -1.3 -1.4846 -0.9722 2142653 PK04_097308 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P11 mock treatment -0.0314 -0.0314 -1.22 -0.0385 -0.0378 -1.55 -1.9613 -0.9932 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P12 mock treatment -0.0204 -0.0204 -0.8 -0.0175 -0.0168 -0.69 -1.0497 -0.9974 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P13 compound treatment -0.1259 -0.126 -4.91 -0.1322 -0.131 -5.39 -7.2791 -0.9989 2141449 PK04_097309 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P14 compound treatment -4.0E-4 -4.17E-4 -0.02 -0.0105 -0.00975 -0.4 -0.2942 -0.7352 2144933 PK04_097310 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P15 compound treatment -0.0374 -0.0374 -1.46 -0.0135 -0.0128 -0.52 -1.4004 -0.9043 2141416 PK04_097311 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P16 compound treatment -0.0174 -0.0175 -0.68 -0.0315 -0.0308 -1.26 -1.373 -0.958 2144445 PK04_097312 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P17 compound treatment -0.0724 -0.0725 -2.82 -0.1115 -0.111 -4.54 -5.2064 -0.9739 2141453 PK04_097313 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P18 compound treatment -0.0274 -0.0274 -1.07 -0.0135 -0.0128 -0.52 -1.1249 -0.9459 2142745 PK04_097314 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P19 compound treatment -0.0484 -0.0484 -1.89 -0.0605 -0.0598 -2.45 -3.0654 -0.9917 2141541 PK04_097315 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P20 compound treatment -0.0114 -0.0115 -0.45 -0.0195 -0.0188 -0.77 -0.8591 -0.9666 2142193 PK04_097316 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P21 compound treatment -0.0224 -0.0225 -0.87 -0.0135 -0.0128 -0.52 -0.9884 -0.9697 2141134 PK04_097317 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P22 compound treatment -0.0224 -0.0225 -0.87 -0.0205 -0.0198 -0.81 -1.1911 -0.9992 2142729 PK04_097318 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P23 compound treatment -0.0544 -0.0544 -2.12 -0.0375 -0.0368 -1.51 -2.5642 -0.986 2141121 PK04_097319 OC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2097 P24 compound treatment 0.0206 0.0206 0.8 -0.0155 -0.0148 -0.61 0.1377 0.1369 2144273 PK04_097320 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A01 compound treatment 0.0496 0.0513 2.0 0.02 0.0213 0.87 2.0308 0.9312 2141696 PK04_098001 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A02 compound treatment -0.0024 -7.17E-4 -0.03 0.02 0.0213 0.87 0.5983 0.6841 2144133 PK04_098002 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A03 compound treatment -0.0064 -0.00469 -0.18 -0.017 -0.0156 -0.64 -0.5821 -0.8739 2141089 PK04_098003 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A04 compound treatment 0.0176 0.0193 0.75 0.027 0.0283 1.16 1.3521 0.9778 2142093 PK04_098004 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A05 compound treatment 0.0086 0.0103 0.4 0.006 0.00733 0.3 0.4956 0.9899 2141744 PK04_098005 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A06 compound treatment 0.0296 0.0313 1.22 0.033 0.0343 1.41 1.8566 0.9974 2143237 PK04_098006 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A07 compound treatment 0.0586 0.0603 2.35 0.04 0.0413 1.69 2.8583 0.9871 2141337 PK04_098007 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A08 compound treatment 0.0246 0.0263 1.02 0.021 0.0223 0.92 1.3703 0.9985 2144129 PK04_098008 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A09 compound treatment -0.0234 -0.0217 -0.85 -0.029 -0.0277 -1.13 -1.4009 -0.9897 2141791 PK04_098009 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A10 compound treatment -0.0124 -0.0107 -0.42 -0.007 -0.00563 -0.23 -0.4575 -0.9613 2144193 PK04_098010 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A11 compound treatment -0.0654 -0.0637 -2.48 -0.074 -0.0726 -2.98 -3.8591 -0.9959 2141133 PK04_098011 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A12 compound treatment 0.0146 0.0163 0.63 -0.008 -0.00663 -0.27 0.2556 0.3709 2143993 PK04_098012 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A13 mock treatment -0.0084 -0.00672 -0.26 -0.02 -0.0187 -0.77 -0.7261 -0.8979 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A14 mock treatment -0.0174 -0.0157 -0.61 -0.024 -0.0227 -0.93 -1.0908 -0.9797 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A15 compound treatment 0.0506 0.0523 2.04 0.027 0.0283 1.16 2.2612 0.9645 2141695 PK04_098013 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A16 compound treatment -4.0E-4 0.00128 0.05 -0.009 -0.00763 -0.31 -0.1857 -0.5866 2144913 PK04_098014 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A17 compound treatment -0.0104 -0.00872 -0.34 -0.016 -0.0147 -0.6 -0.6653 -0.9634 2141801 PK04_098015 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A18 compound treatment 0.0326 0.0343 1.33 0.026 0.0273 1.12 1.7355 0.9962 2142117 PK04_098016 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A19 compound treatment -0.0354 -0.0337 -1.31 -0.044 -0.0426 -1.75 -2.1643 -0.9901 2141835 PK04_098017 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A20 compound treatment -0.0064 -0.00472 -0.18 -0.006 -0.00467 -0.19 -0.2653 -0.9998 2144205 PK04_098018 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A21 compound treatment -0.0524 -0.0507 -1.98 -0.049 -0.0477 -1.95 -2.7787 -1.0 2141920 PK04_098019 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A22 compound treatment -0.0354 -0.0337 -1.31 -0.04 -0.0387 -1.58 -2.0495 -0.9957 2141945 PK04_098020 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A23 compound treatment -0.0414 -0.0397 -1.55 -0.042 -0.0406 -1.67 -2.2708 -0.9993 2141111 PK04_098021 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 A24 compound treatment -0.0254 -0.0237 -0.93 -0.033 -0.0317 -1.3 -1.572 -0.9862 2143385 PK04_098022 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B01 compound treatment -0.0074 -0.00571 -0.22 -0.002 -6.32E-4 -0.03 -0.1757 -0.7841 2142845 PK04_098023 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B02 compound treatment 0.0146 0.0163 0.63 0.013 0.0143 0.59 0.8638 0.9993 2143009 PK04_098024 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B03 compound treatment 0.0196 0.0213 0.83 0.019 0.0203 0.83 1.1746 1.0 2144209 PK04_098025 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B04 compound treatment 0.0166 0.0183 0.71 0.018 0.0193 0.79 1.0638 0.9986 2142037 PK04_098026 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B05 compound treatment 0.0236 0.0253 0.98 0.026 0.0273 1.12 1.4876 0.9979 2144313 PK04_098027 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B06 compound treatment -0.0044 -0.00272 -0.11 0.0 0.00137 0.06 -0.0352 -0.294 2143245 PK04_098028 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B07 compound treatment -0.0014 2.83E-4 0.01 -0.002 -6.72E-4 -0.03 -0.0117 -0.3939 2144661 PK04_098029 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B08 compound treatment 0.0086 0.0103 0.4 0.02 0.0213 0.87 0.9013 0.9374 2143409 PK04_098030 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B09 compound treatment 0.0026 0.00428 0.17 0.005 0.00633 0.26 0.3014 0.9773 2144745 PK04_098031 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B10 compound treatment -0.0184 -0.0167 -0.65 -0.02 -0.0187 -0.77 -1.0016 -0.9968 2143049 PK04_098032 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B11 compound treatment 0.0016 0.00328 0.13 -0.007 -0.00567 -0.23 -0.0739 -0.2786 2143257 PK04_098033 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B12 compound treatment -0.088 -0.0863 -3.36 -0.0887 -0.0874 -3.58 -4.9098 -0.9995 2141502 PK04_098034 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B13 mock treatment 0.0086 0.0103 0.4 0.006 0.00733 0.3 0.4948 0.9901 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B14 mock treatment 0.0166 0.0183 0.71 0.019 0.0203 0.83 1.092 0.9969 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B15 compound treatment -4.0E-4 0.00128 0.05 -0.001 3.28E-4 0.01 0.0448 0.8665 2142113 PK04_098035 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B16 compound treatment -0.0024 -7.17E-4 -0.03 -0.005 -0.00367 -0.15 -0.1262 -0.8243 2141859 PK04_098036 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B17 compound treatment 0.0216 0.0233 0.91 0.01 0.0113 0.46 0.9689 0.9518 2144033 PK04_098037 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B18 compound treatment 0.0136 0.0153 0.6 0.012 0.0133 0.55 0.8072 0.9991 2141540 PK04_098038 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B19 compound treatment 0.0086 0.0103 0.4 0.003 0.00433 0.18 0.4087 0.9328 2144437 PK04_098039 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B20 compound treatment 0.0286 0.0303 1.18 0.009 0.0103 0.42 1.1328 0.9045 2144725 PK04_098040 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B21 compound treatment -0.0064 -0.00472 -0.18 0.0 0.00133 0.05 -0.0915 -0.4772 2143413 PK04_098041 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B22 compound treatment -0.318 -0.316 -12.32 -0.3187 -0.317 -13.01 -17.9111 -0.9996 2141509 PK04_098042 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B23 compound treatment 0.0116 0.0133 0.52 0.009 0.0103 0.42 0.6652 0.995 2142009 PK04_098043 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 B24 compound treatment 0.0046 0.00625 0.24 -0.001 3.28E-4 0.01 0.1818 0.745 2141342 PK04_098044 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C01 compound treatment -0.0574 -0.0557 -2.17 -0.059 -0.0576 -2.36 -3.2042 -0.9991 2141145 PK04_098045 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C02 compound treatment 0.0016 0.00328 0.13 -0.008 -0.00663 -0.27 -0.1017 -0.3386 2143097 PK04_098046 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C03 compound treatment -0.0154 -0.0137 -0.53 -0.014 -0.0126 -0.52 -0.7439 -0.9999 2141834 PK04_098047 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C04 compound treatment 0.0026 0.00428 0.17 0.009 0.0103 0.42 0.4173 0.9172 2142605 PK04_098048 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C05 compound treatment -0.0344 -0.0327 -1.27 -0.029 -0.0277 -1.13 -1.7032 -0.9983 2141398 PK04_098049 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C06 compound treatment -0.0064 -0.00472 -0.18 -0.005 -0.00363 -0.15 -0.2352 -0.9945 2143013 PK04_098050 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C07 compound treatment -0.0124 -0.0107 -0.42 -0.02 -0.0186 -0.76 -0.8343 -0.9593 2141793 PK04_098051 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C08 compound treatment 0.0276 0.0293 1.14 0.01 0.0113 0.46 1.135 0.9215 2143277 PK04_098052 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C09 compound treatment -4.0E-4 0.00128 0.05 -0.003 -0.00167 -0.07 -0.0131 -0.1546 2141681 PK04_098053 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C10 compound treatment -0.0054 -0.00372 -0.14 -0.008 -0.00663 -0.27 -0.2946 -0.9566 2144125 PK04_098054 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C11 mock treatment 0.0026 0.00428 0.17 -0.003 -0.00163 -0.07 0.0707 0.3933 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C12 mock treatment 0.0026 0.00428 0.17 0.003 0.00437 0.18 0.2447 0.9994 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C13 compound treatment 0.0066 0.00828 0.32 -0.003 -0.00167 -0.07 0.1797 0.5448 2141376 PK04_098055 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C14 compound treatment -0.0244 -0.0227 -0.88 -0.03 -0.0286 -1.17 -1.4546 -0.9903 2143897 PK04_098056 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C15 mock treatment -0.0044 -0.00272 -0.11 -0.009 -0.00767 -0.31 -0.2972 -0.8958 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C16 mock treatment 0.0076 0.00928 0.36 0.008 0.00937 0.38 0.5272 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C17 compound treatment 0.0086 0.0103 0.4 0.003 0.00433 0.18 0.4087 0.9328 2141461 PK04_098057 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C18 compound treatment -0.0144 -0.0127 -0.49 -0.011 -0.00963 -0.39 -0.6286 -0.9938 2143145 PK04_098058 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C19 compound treatment -0.0054 -0.00372 -0.14 -0.016 -0.0146 -0.6 -0.5264 -0.8534 2141551 PK04_098059 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C20 compound treatment -0.0064 -0.00469 -0.18 -0.012 -0.0106 -0.44 -0.4372 -0.9255 2144941 PK04_098060 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C21 compound treatment -0.082 -0.0803 -3.13 -0.0947 -0.0934 -3.83 -4.9184 -0.995 2141535 PK04_098061 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C22 compound treatment -0.0204 -0.0187 -0.73 -0.015 -0.0136 -0.56 -0.9098 -0.9914 2142185 PK04_098062 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C23 compound treatment -0.0064 -0.00472 -0.18 -0.012 -0.0106 -0.44 -0.438 -0.9263 2141425 PK04_098063 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 C24 compound treatment -0.0034 -0.00171 -0.07 0.002 0.00337 0.14 0.0505 0.329 2144353 PK04_098064 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D01 compound treatment -0.0124 -0.0107 -0.42 -0.015 -0.0136 -0.56 -0.6894 -0.9895 2143317 PK04_098065 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D02 compound treatment -0.0044 -0.00269 -0.1 -0.002 -6.32E-4 -0.03 -0.0923 -0.8562 2144805 PK04_098066 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D03 compound treatment -0.0094 -0.00772 -0.3 -0.01 -0.00863 -0.35 -0.4627 -0.9967 2142937 PK04_098067 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D04 compound treatment -0.0344 -0.0327 -1.27 -0.035 -0.0337 -1.38 -1.8771 -0.9992 2141997 PK04_098068 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D05 compound treatment -0.0044 -0.00272 -0.11 -0.005 -0.00363 -0.15 -0.1801 -0.9861 2144781 PK04_098069 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D06 compound treatment -0.0074 -0.00572 -0.22 -0.062 -0.0606 -2.48 -1.9145 -0.7674 2144025 PK04_098070 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D07 compound treatment -0.0124 -0.0107 -0.42 -0.015 -0.0137 -0.56 -0.6914 -0.9895 2144817 PK04_098071 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D08 compound treatment -0.0054 -0.00371 -0.14 -0.01 -0.00863 -0.35 -0.3523 -0.9223 2144197 PK04_098072 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D09 compound treatment 6.0E-4 0.00228 0.09 0.002 0.00337 0.14 0.1606 0.9773 2144761 PK04_098073 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D10 compound treatment -0.0104 -0.00872 -0.34 -0.002 -6.32E-4 -0.03 -0.2585 -0.7588 2142125 PK04_098074 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D11 mock treatment 0.0136 0.0153 0.59 0.014 0.0153 0.63 0.8644 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D12 mock treatment -0.0064 -0.00472 -0.18 -0.003 -0.00163 -0.07 -0.1772 -0.9063 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D13 compound treatment 0.0026 0.00428 0.17 -0.007 -0.00567 -0.23 -0.0464 -0.1621 2143225 PK04_098075 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D14 compound treatment -0.0094 -0.00772 -0.3 -0.007 -0.00563 -0.23 -0.3758 -0.9915 2144233 PK04_098076 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D15 mock treatment -0.0114 -0.00975 -0.38 -0.012 -0.0107 -0.44 -0.5778 -0.9975 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D16 mock treatment -4.0E-4 0.00129 0.05 0.001 0.00237 0.1 0.1042 0.9526 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D17 compound treatment -0.0034 -0.00172 -0.07 -0.006 -0.00463 -0.19 -0.1815 -0.9019 2143045 PK04_098077 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D18 compound treatment -0.0034 -0.00172 -0.07 -0.008 -0.00663 -0.27 -0.2395 -0.8556 2142013 PK04_098078 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D19 compound treatment -0.0284 -0.0267 -1.04 -0.025 -0.0236 -0.97 -1.42 -0.9994 2142213 PK04_098079 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D20 compound treatment -0.129 -0.127 -4.96 -0.1357 -0.134 -5.51 -7.4013 -0.9986 2141447 PK04_098080 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D21 compound treatment -0.0384 -0.0367 -1.43 -0.039 -0.0377 -1.54 -2.1032 -0.9993 2143393 PK04_098081 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D22 compound treatment -0.0304 -0.0287 -1.12 -0.009 -0.00763 -0.31 -1.0115 -0.8715 2065844 PK04_098082 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D23 compound treatment 0.0056 0.00725 0.28 -0.001 3.68E-4 0.02 0.2105 0.7438 2144185 PK04_098083 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 D24 compound treatment 0.0056 0.00728 0.28 0.024 0.0253 1.04 0.9346 0.8685 2141197 PK04_098084 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E01 mock treatment 0.0076 0.00928 0.36 0.004 0.00537 0.22 0.4114 0.9717 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E02 mock treatment 0.0146 0.0163 0.63 0.007 0.00837 0.34 0.6902 0.9585 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E03 compound treatment 0.0116 0.0133 0.52 0.004 0.00537 0.22 0.5215 0.9274 2141526 PK04_098085 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E04 compound treatment 0.0186 0.0203 0.79 0.015 0.0163 0.67 1.0311 0.9966 2142637 PK04_098086 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E05 compound treatment 0.0016 0.00328 0.13 0.0 0.00133 0.05 0.1289 0.9275 2141181 PK04_098087 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E06 compound treatment 0.0036 0.00528 0.21 0.009 0.0103 0.42 0.4448 0.9451 2142777 PK04_098088 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E07 compound treatment -0.0254 -0.0237 -0.92 -0.036 -0.0347 -1.42 -1.6581 -0.9783 2141090 PK04_098089 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E08 compound treatment 0.0186 0.0203 0.79 0.019 0.0203 0.83 1.1478 0.9997 2144801 PK04_098090 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E09 mock treatment 0.0156 0.0173 0.67 0.013 0.0143 0.59 0.8905 0.9977 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E10 mock treatment 0.0196 0.0213 0.83 0.021 0.0223 0.92 1.2325 0.9988 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E11 compound treatment -0.0254 -0.0237 -0.93 -0.024 -0.0227 -0.93 -1.3112 -1.0 2141328 PK04_098091 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E12 compound treatment 0.0036 0.00528 0.21 0.003 0.00433 0.18 0.271 0.9973 2144117 PK04_098092 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E13 compound treatment 0.0146 0.0163 0.63 0.012 0.0133 0.55 0.8348 0.9972 2141750 PK04_098093 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E14 compound treatment -0.0364 -0.0347 -1.35 -0.025 -0.0236 -0.97 -1.6404 -0.9866 2142133 PK04_098094 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E15 compound treatment 0.0306 0.0323 1.26 0.026 0.0273 1.12 1.6813 0.9983 2141837 PK04_098095 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E16 compound treatment -0.0144 -0.0127 -0.5 -0.006 -0.00467 -0.19 -0.4857 -0.9144 2143333 PK04_098096 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E17 mock treatment 6.0E-4 0.00228 0.09 -0.002 -6.32E-4 -0.03 0.0446 0.4812 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E18 mock treatment 0.0146 0.0163 0.63 0.016 0.0173 0.71 0.9499 0.9984 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E19 compound treatment 0.0066 0.00825 0.32 0.0 0.00133 0.05 0.2658 0.8152 2141392 PK04_098097 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E20 compound treatment 6.0E-4 0.00228 0.09 -0.002 -6.72E-4 -0.03 0.0434 0.4663 2144457 PK04_098098 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E21 compound treatment 0.0096 0.0113 0.44 0.019 0.0203 0.83 0.8999 0.9554 2141783 PK04_098099 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E22 compound treatment 0.0106 0.0123 0.48 0.006 0.00733 0.3 0.5507 0.9748 2142073 PK04_098100 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E23 compound treatment -0.0284 -0.0267 -1.04 0.007 0.00833 0.34 -0.4947 -0.4516 2141929 PK04_098101 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 E24 compound treatment -0.0054 -0.00369 -0.14 0.003 0.00433 0.18 0.0238 0.1044 2141993 PK04_098102 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F01 mock treatment -0.0014 2.83E-4 0.01 -0.003 -0.00163 -0.07 -0.0395 -0.5828 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F02 mock treatment 0.0036 0.00529 0.21 0.003 0.00437 0.18 0.2723 0.9976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F03 compound treatment 0.0256 0.0273 1.06 0.024 0.0253 1.04 1.4856 0.9999 2142917 PK04_098103 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F04 compound treatment -0.0024 -7.17E-4 -0.03 0.001 0.00237 0.1 0.0489 0.4838 2142953 PK04_098104 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F05 compound treatment 0.0206 0.0223 0.87 0.025 0.0263 1.08 1.376 0.9941 2144897 PK04_098105 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F06 compound treatment 0.0146 0.0163 0.63 0.013 0.0143 0.59 0.8629 0.9993 2144329 PK04_098106 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F07 compound treatment -0.0054 -0.00369 -0.14 0.004 0.00537 0.22 0.054 0.2054 2144721 PK04_098107 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F08 compound treatment 0.0146 0.0163 0.63 0.021 0.0223 0.92 1.0956 0.984 2143969 PK04_098108 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F09 mock treatment -0.0114 -0.00975 -0.38 -0.007 -0.00567 -0.23 -0.4329 -0.9722 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F10 mock treatment 0.0216 0.0233 0.91 0.025 0.0263 1.08 1.4036 0.9962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F11 compound treatment -0.0314 -0.0297 -1.16 -0.034 -0.0326 -1.34 -1.7643 -0.9974 2141973 PK04_098109 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F12 compound treatment 0.0136 0.0153 0.59 0.013 0.0143 0.59 0.8354 1.0 2141515 PK04_098110 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F13 compound treatment 0.0216 0.0233 0.91 0.01 0.0113 0.46 0.9697 0.9516 2144053 PK04_098111 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F14 compound treatment -0.0034 -0.00172 -0.07 -0.009 -0.00767 -0.31 -0.2696 -0.8388 2143249 PK04_098112 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F15 compound treatment 0.0116 0.0133 0.52 0.01 0.0113 0.46 0.6934 0.9986 2144873 PK04_098113 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F16 compound treatment 0.0106 0.0123 0.48 0.011 0.0123 0.51 0.6956 0.9996 2141199 PK04_098114 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F17 mock treatment 0.0086 0.0103 0.4 0.005 0.00637 0.26 0.467 0.9787 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F18 mock treatment 0.0066 0.00828 0.32 0.012 0.0133 0.55 0.6144 0.9685 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F19 compound treatment 0.0166 0.0183 0.71 0.019 0.0203 0.83 1.0927 0.997 2142825 PK04_098115 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F20 compound treatment 0.0126 0.0143 0.56 0.011 0.0123 0.51 0.7507 0.9988 2144217 PK04_098116 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F21 compound treatment 0.0106 0.0123 0.48 0.01 0.0113 0.46 0.6658 0.9999 2144057 PK04_098117 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F22 compound treatment 0.0106 0.0123 0.48 0.013 0.0143 0.59 0.7528 0.9947 2141689 PK04_098118 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F23 compound treatment 0.0106 0.0123 0.48 0.015 0.0163 0.67 0.8115 0.9865 2144037 PK04_098119 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 F24 compound treatment -0.0024 -7.17E-4 -0.03 -0.003 -0.00163 -0.07 -0.067 -0.9251 2141464 PK04_098120 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G01 compound treatment 0.0076 0.00928 0.36 -0.003 -0.00167 -0.07 0.2073 0.5631 2141573 PK04_098121 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G02 compound treatment -0.0094 -0.00771 -0.3 -0.009 -0.00763 -0.31 -0.4337 -0.9998 2144113 PK04_098122 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G03 mock treatment -0.0084 -0.00672 -0.26 -0.016 -0.0147 -0.6 -0.6101 -0.9306 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G04 mock treatment 0.0136 0.0153 0.59 0.007 0.00837 0.34 0.6628 0.9659 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G05 compound treatment -0.0104 -0.00869 -0.34 -0.017 -0.0156 -0.64 -0.6923 -0.9555 2141531 PK04_098123 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G06 compound treatment -0.0424 -0.0407 -1.59 -0.04 -0.0386 -1.58 -2.2403 -1.0 2143985 PK04_098124 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G07 compound treatment -0.246 -0.244 -9.52 -0.2557 -0.254 -10.42 -14.1019 -0.999 2065843 PK04_098125 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G08 compound treatment 0.0126 0.0143 0.56 0.009 0.0103 0.42 0.6919 0.991 2144713 PK04_098126 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G09 compound treatment 0.0016 0.00328 0.13 0.004 0.00537 0.22 0.246 0.9667 2141779 PK04_098127 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G10 compound treatment -0.0074 -0.00572 -0.22 -0.007 -0.00563 -0.23 -0.3207 -0.9998 2142633 PK04_098128 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G11 compound treatment -0.452 -0.45 -17.54 -0.4537 -0.452 -18.54 -25.5147 -0.9996 2141711 PK04_098129 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G12 compound treatment -0.0104 -0.00872 -0.34 -0.002 -6.72E-4 -0.03 -0.2596 -0.7619 2142689 PK04_098130 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G13 compound treatment -0.084 -0.0823 -3.21 -0.0977 -0.0964 -3.95 -5.0604 -0.9947 2141802 PK04_098131 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G14 compound treatment -0.0054 -0.00372 -0.14 -0.005 -0.00363 -0.15 -0.2077 -0.9999 2142905 PK04_098132 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G15 compound treatment -0.073 -0.0713 -2.78 -0.078 -0.0767 -3.14 -4.1865 -0.9981 2141192 PK04_098133 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G16 compound treatment -0.0304 -0.0287 -1.12 -0.015 -0.0137 -0.56 -1.1865 -0.949 2142129 PK04_098134 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G17 compound treatment -0.0254 -0.0237 -0.92 -0.023 -0.0217 -0.89 -1.2814 -0.9998 2141728 PK04_098135 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G18 compound treatment 6.0E-4 0.00228 0.09 0.001 0.00237 0.1 0.1315 0.9991 2144641 PK04_098136 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G19 mock treatment -0.0244 -0.0227 -0.88 -0.003 -0.00163 -0.07 -0.6723 -0.7584 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G20 mock treatment -0.0484 -0.0467 -1.82 -0.024 -0.0227 -0.93 -1.944 -0.9513 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G21 compound treatment -0.0044 -0.00272 -0.11 -0.002 -6.72E-4 -0.03 -0.0943 -0.8623 2141885 PK04_098137 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G22 compound treatment -0.0044 -0.00272 -0.11 -0.003 -0.00163 -0.07 -0.1221 -0.9753 2144357 PK04_098138 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G23 compound treatment -0.0554 -0.0537 -2.09 -0.047 -0.0457 -1.87 -2.8033 -0.9984 2141361 PK04_098139 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 G24 compound treatment -0.0214 -0.0197 -0.77 -0.021 -0.0197 -0.81 -1.1141 -0.9997 2142625 PK04_098140 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H01 compound treatment -0.0184 -0.0167 -0.65 -0.015 -0.0137 -0.56 -0.8567 -0.9972 2142737 PK04_098141 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H02 compound treatment -0.0174 -0.0157 -0.61 -0.029 -0.0276 -1.13 -1.2329 -0.9581 2144017 PK04_098142 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H03 mock treatment -0.0014 2.83E-4 0.01 -0.005 -0.00367 -0.15 -0.0986 -0.6536 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H04 mock treatment -0.0094 -0.00775 -0.3 -0.007 -0.00567 -0.23 -0.3778 -0.9917 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H05 compound treatment -0.0084 -0.00669 -0.26 -0.002 -6.72E-4 -0.03 -0.2037 -0.7775 2143493 PK04_098143 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H06 compound treatment -0.0204 -0.0187 -0.73 -0.013 -0.0117 -0.48 -0.8539 -0.9791 2141857 PK04_098144 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H07 compound treatment -0.0064 -0.00472 -0.18 -0.009 -0.00767 -0.31 -0.3523 -0.9673 2143497 PK04_098145 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H08 compound treatment 0.0116 0.0133 0.52 -0.005 -0.00367 -0.15 0.2595 0.4816 2141183 PK04_098146 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H09 compound treatment -0.0154 -0.0137 -0.53 -0.013 -0.0117 -0.48 -0.7161 -0.9985 2143289 PK04_098147 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H10 compound treatment -0.0064 -0.00472 -0.18 0.001 0.00237 0.1 -0.0613 -0.2951 2142033 PK04_098148 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H11 compound treatment -0.0304 -0.0287 -1.12 -0.018 -0.0166 -0.68 -1.2723 -0.9719 2143345 PK04_098149 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H12 compound treatment -0.0234 -0.0217 -0.84 -0.004 -0.00267 -0.11 -0.6749 -0.7921 2141965 PK04_098150 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H13 compound treatment -0.0114 -0.00969 -0.38 -0.011 -0.00967 -0.4 -0.5471 -0.9997 2142053 PK04_098151 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H14 compound treatment 6.0E-4 0.00225 0.09 0.014 0.0153 0.63 0.5062 0.7982 2143285 PK04_098152 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H15 compound treatment -4.0E-4 0.00128 0.05 -0.006 -0.00463 -0.19 -0.0989 -0.5038 2143953 PK04_098153 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H16 compound treatment -0.0084 -0.00672 -0.26 -0.005 -0.00367 -0.15 -0.2915 -0.9655 2142849 PK04_098154 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H17 compound treatment 0.0036 0.00528 0.21 0.0 0.00133 0.05 0.184 0.8644 2142197 PK04_098155 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H18 compound treatment -4.0E-4 0.00128 0.05 0.001 0.00237 0.1 0.104 0.9524 2141678 PK04_098156 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H19 mock treatment -0.0034 -0.00172 -0.07 -0.004 -0.00263 -0.11 -0.1236 -0.9736 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H20 mock treatment -0.0034 -0.00172 -0.07 -0.008 -0.00663 -0.27 -0.2395 -0.8556 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H21 compound treatment -0.0014 2.83E-4 0.01 0.001 0.00237 0.1 0.0764 0.7824 2142657 PK04_098157 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H22 compound treatment -0.0014 2.83E-4 0.01 -0.004 -0.00263 -0.11 -0.0685 -0.6316 2141194 PK04_098158 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H23 compound treatment -0.0064 -0.00472 -0.18 -0.011 -0.00963 -0.39 -0.4091 -0.9395 2142665 PK04_098159 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 H24 compound treatment -0.0024 -7.17E-4 -0.03 -0.006 -0.00463 -0.19 -0.154 -0.8026 2141813 PK04_098160 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I01 compound treatment 0.0116 0.0133 0.52 0.006 0.00733 0.3 0.5783 0.9665 2141395 PK04_098161 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I02 compound treatment -0.0064 -0.00472 -0.18 -0.015 -0.0136 -0.56 -0.525 -0.8927 2144813 PK04_098162 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I03 compound treatment -0.428 -0.426 -16.61 -0.4517 -0.45 -18.46 -24.7955 -0.9986 2141107 PK04_098163 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I04 compound treatment -0.0264 -0.0247 -0.96 -0.02 -0.0186 -0.76 -1.22 -0.9935 2142597 PK04_098164 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I05 mock treatment 6.0E-4 0.00229 0.09 -0.007 -0.00563 -0.23 -0.1002 -0.405 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I06 mock treatment -0.0104 -0.00875 -0.34 -0.009 -0.00763 -0.31 -0.4621 -0.9991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I07 compound treatment -0.0944 -0.0927 -3.61 -0.1017 -0.1 -4.11 -5.4608 -0.9979 2141144 PK04_098165 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I08 compound treatment -0.0074 -0.00569 -0.22 -0.012 -0.0106 -0.44 -0.4647 -0.9509 2142693 PK04_098166 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I09 compound treatment 0.0146 0.0163 0.63 0.011 0.0123 0.51 0.8058 0.9936 2141896 PK04_098167 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I10 compound treatment -0.0174 -0.0157 -0.61 -0.025 -0.0237 -0.97 -1.119 -0.9754 2141957 PK04_098168 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I11 compound treatment -0.0074 -0.00572 -0.22 -0.008 -0.00663 -0.27 -0.3496 -0.9951 2141394 PK04_098169 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I12 compound treatment -0.0134 -0.0117 -0.46 -0.015 -0.0137 -0.56 -0.719 -0.9948 2142049 PK04_098170 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I13 compound treatment 0.0116 0.0133 0.52 0.004 0.00533 0.22 0.5203 0.9264 2141346 PK04_098171 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I14 compound treatment -0.0144 -0.0127 -0.49 -0.016 -0.0146 -0.6 -0.7735 -0.9954 2143477 PK04_098172 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I15 compound treatment -0.0134 -0.0117 -0.46 -0.008 -0.00667 -0.27 -0.5161 -0.97 2141373 PK04_098173 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I16 compound treatment -0.0334 -0.0317 -1.23 -0.038 -0.0366 -1.5 -1.9345 -0.9953 2144645 PK04_098174 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I17 compound treatment -0.0044 -0.00272 -0.11 -0.008 -0.00667 -0.27 -0.2682 -0.9147 2141116 PK04_098175 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I18 compound treatment -0.0084 -0.00672 -0.26 -0.013 -0.0117 -0.48 -0.5233 -0.9597 2142097 PK04_098176 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I19 compound treatment -0.0074 -0.00572 -0.22 -0.006 -0.00463 -0.19 -0.2917 -0.9968 2141442 PK04_098177 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I20 compound treatment 0.0026 0.00428 0.17 -0.006 -0.00467 -0.19 -0.0174 -0.0685 2142005 PK04_098178 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I21 mock treatment 0.0076 0.00928 0.36 0.012 0.0133 0.55 0.642 0.9799 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I22 mock treatment -0.0024 -7.17E-4 -0.03 -0.004 -0.00263 -0.11 -0.096 -0.8619 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I23 compound treatment -0.0374 -0.0357 -1.39 -0.045 -0.0436 -1.79 -2.2475 -0.9923 2141137 PK04_098179 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 I24 compound treatment -0.0524 -0.0507 -1.97 -0.017 -0.0156 -0.64 -1.8494 -0.8908 2144905 PK04_098180 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J01 compound treatment -0.0014 2.83E-4 0.01 -0.008 -0.00663 -0.27 -0.1843 -0.6779 2142853 PK04_098181 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J02 compound treatment -0.0384 -0.0367 -1.43 -0.041 -0.0397 -1.63 -2.162 -0.998 2141434 PK04_098182 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J03 compound treatment -0.0014 2.83E-4 0.01 -0.003 -0.00163 -0.07 -0.0395 -0.5828 2142925 PK04_098183 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J04 compound treatment 0.0026 0.00428 0.17 -0.003 -0.00163 -0.07 0.0708 0.3939 2141810 PK04_098184 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J05 mock treatment -0.0124 -0.0107 -0.42 -0.013 -0.0117 -0.48 -0.6343 -0.9978 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J06 mock treatment -0.0104 -0.00872 -0.34 -0.01 -0.00867 -0.36 -0.4914 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J07 compound treatment -0.0344 -0.0327 -1.27 -0.026 -0.0247 -1.01 -1.6154 -0.9935 2143253 PK04_098185 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J08 compound treatment -0.0264 -0.0247 -0.96 -0.003 -0.00167 -0.07 -0.7286 -0.7556 2141219 PK04_098186 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J09 compound treatment -4.0E-4 0.00128 0.05 0.002 0.00333 0.14 0.1318 0.9072 2142945 PK04_098187 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J10 compound treatment -0.0754 -0.0737 -2.87 -0.067 -0.0656 -2.69 -3.9326 -0.9995 2141450 PK04_098188 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J11 compound treatment -0.0074 -0.00572 -0.22 -0.002 -6.32E-4 -0.03 -0.1758 -0.784 2144285 PK04_098189 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J12 compound treatment -0.113 -0.111 -4.34 -0.1147 -0.113 -4.64 -6.35 -0.9994 2141139 PK04_098190 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J13 compound treatment -0.0414 -0.0397 -1.55 -0.029 -0.0277 -1.13 -1.8961 -0.9883 2143473 PK04_098191 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J14 compound treatment -0.0314 -0.0297 -1.16 -0.022 -0.0206 -0.85 -1.4157 -0.9881 2144013 PK04_098192 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J15 compound treatment 6.0E-4 0.00228 0.09 -0.009 -0.00763 -0.31 -0.1583 -0.4867 2142837 PK04_098193 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J16 compound treatment -0.0404 -0.0387 -1.51 -0.041 -0.0396 -1.62 -2.2143 -0.9993 2141784 PK04_098194 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J17 compound treatment 0.0086 0.0103 0.4 -0.003 -0.00163 -0.07 0.2352 0.5806 2144425 PK04_098195 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J18 compound treatment -0.543 -0.541 -21.09 -0.5467 -0.545 -22.35 -30.7158 -0.9996 2141332 PK04_098196 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J19 compound treatment 6.0E-4 0.00228 0.09 0.005 0.00633 0.26 0.2463 0.8983 2143957 PK04_098197 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J20 compound treatment 0.0096 0.0113 0.44 0.01 0.0114 0.47 0.6403 0.9996 2141933 PK04_098198 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J21 mock treatment 0.0036 0.00529 0.21 0.001 0.00237 0.1 0.2142 0.9411 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J22 mock treatment -0.0034 -0.00172 -0.07 -0.001 3.68E-4 0.02 -0.0366 -0.5343 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J23 compound treatment -0.0134 -0.0117 -0.46 -0.016 -0.0146 -0.6 -0.7468 -0.9909 2144049 PK04_098199 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 J24 compound treatment -0.0014 2.84E-4 0.01 -0.003 -0.00163 -0.07 -0.0395 -0.5823 2141196 PK04_098200 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K01 compound treatment 0.0096 0.0113 0.44 0.008 0.00933 0.38 0.5811 0.9976 2141522 PK04_098201 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K02 compound treatment -0.0144 -0.0127 -0.49 -0.028 -0.0266 -1.09 -1.1213 -0.9359 2142617 PK04_098202 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K03 compound treatment 0.0026 0.00428 0.17 -0.001 3.72E-4 0.02 0.1288 0.7685 2141439 PK04_098203 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K04 compound treatment -0.0164 -0.0147 -0.57 -0.02 -0.0186 -0.76 -0.9444 -0.9899 2143329 PK04_098204 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K05 compound treatment -0.0074 -0.00569 -0.22 -0.001 3.28E-4 0.01 -0.1472 -0.663 2141725 PK04_098205 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K06 compound treatment -0.0064 -0.00472 -0.18 -0.006 -0.00467 -0.19 -0.2653 -0.9998 2142973 PK04_098206 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K07 mock treatment -0.0334 -0.0317 -1.24 -0.035 -0.0337 -1.38 -1.8504 -0.9985 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K08 mock treatment -0.0134 -0.0117 -0.46 -0.009 -0.00767 -0.31 -0.5459 -0.9832 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K09 compound treatment -0.317 -0.315 -12.28 -0.3547 -0.353 -14.48 -18.9259 -0.9966 2141136 PK04_098207 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K10 compound treatment -0.0064 -0.00472 -0.18 -0.007 -0.00567 -0.23 -0.2943 -0.9932 2143005 PK04_098208 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K11 compound treatment -0.0044 -0.00272 -0.11 -0.001 3.28E-4 0.01 -0.0654 -0.6124 2141925 PK04_098209 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K12 compound treatment -0.0174 -0.0157 -0.61 -0.005 -0.00367 -0.15 -0.5394 -0.8554 2144741 PK04_098210 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K13 compound treatment -0.0804 -0.0787 -3.07 -0.084 -0.0827 -3.39 -4.5643 -0.9988 2141147 PK04_098211 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K14 compound treatment -0.0334 -0.0317 -1.23 -0.022 -0.0207 -0.85 -1.472 -0.9831 2143465 PK04_098212 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K15 mock treatment 0.0086 0.0103 0.4 0.002 0.00337 0.14 0.3801 0.8993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K16 mock treatment -0.0014 2.83E-4 0.01 0.003 0.00437 0.18 0.1344 0.7492 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K17 compound treatment -0.0224 -0.0207 -0.81 -0.037 -0.0356 -1.46 -1.6025 -0.9608 2141530 PK04_098213 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K18 compound treatment -0.0134 -0.0117 -0.46 -0.004 -0.00267 -0.11 -0.3994 -0.8528 2143169 PK04_098214 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K19 compound treatment -0.0104 -0.00872 -0.34 -0.01 -0.00863 -0.35 -0.4902 -0.9998 2141707 PK04_098215 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K20 compound treatment -0.0284 -0.0267 -1.04 -0.026 -0.0247 -1.01 -1.4518 -0.9999 2143073 PK04_098216 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K21 compound treatment -0.0084 -0.00672 -0.26 -0.012 -0.0107 -0.44 -0.4943 -0.9699 2141428 PK04_098217 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K22 compound treatment 0.0056 0.00725 0.28 0.008 0.00933 0.38 0.4701 0.9889 2142725 PK04_098218 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K23 mock treatment -0.0154 -0.0137 -0.54 -0.01 -0.00867 -0.36 -0.63 -0.9802 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 K24 mock treatment -0.0124 -0.0107 -0.42 -0.015 -0.0137 -0.56 -0.6922 -0.9897 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L01 compound treatment -0.0194 -0.0177 -0.69 -0.015 -0.0136 -0.56 -0.8823 -0.9946 2143889 PK04_098219 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L02 compound treatment 0.0256 0.0273 1.06 0.015 0.0163 0.67 1.2239 0.9752 2141700 PK04_098220 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L03 compound treatment -0.0014 2.83E-4 0.01 -0.015 -0.0137 -0.56 -0.3884 -0.6931 2142733 PK04_098221 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L04 compound treatment 0.0096 0.0113 0.44 0.011 0.0123 0.51 0.6681 0.9976 2141934 PK04_098222 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7)c8ccccc8 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L05 compound treatment -0.0044 -0.00272 -0.11 -0.008 -0.00663 -0.27 -0.267 -0.9156 2143873 PK04_098223 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L06 compound treatment 0.0126 0.0143 0.56 0.014 0.0153 0.63 0.8377 0.9982 2141797 PK04_098224 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L07 mock treatment -0.0034 -0.00172 -0.07 0.004 0.00537 0.22 0.1082 0.4708 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L08 mock treatment -4.0E-4 0.00128 0.05 0.005 0.00637 0.26 0.22 0.8274 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L09 compound treatment 0.0126 0.0143 0.56 0.017 0.0183 0.75 0.9238 0.989 2142957 PK04_098225 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L10 compound treatment -0.0194 -0.0177 -0.69 -0.009 -0.00763 -0.31 -0.7101 -0.9357 3413983 PK04_098226 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L11 compound treatment -0.0144 -0.0127 -0.49 -0.003 -0.00167 -0.07 -0.398 -0.7975 2142717 PK04_098227 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L12 compound treatment -0.0094 -0.00769 -0.3 -0.011 -0.00963 -0.39 -0.4909 -0.9907 3413985 PK04_098228 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L13 compound treatment -0.0134 -0.0117 -0.46 -0.005 -0.00367 -0.15 -0.4292 -0.8929 2143357 PK04_098229 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L14 compound treatment -0.0514 -0.0497 -1.94 -0.031 -0.0296 -1.21 -2.2275 -0.9748 3413987 PK04_098230 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L15 mock treatment 0.0136 0.0153 0.59 0.012 0.0133 0.55 0.8065 0.9991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L16 mock treatment 0.0036 0.00528 0.21 0.007 0.00837 0.34 0.388 0.9702 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L17 compound treatment 0.0106 0.0123 0.48 0.015 0.0163 0.67 0.8107 0.9863 2143089 PK04_098231 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L18 compound treatment 0.0126 0.0143 0.56 0.024 0.0253 1.04 1.1274 0.9573 3413990 PK04_098232 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L19 compound treatment 6.0E-4 0.00228 0.09 -0.005 -0.00363 -0.15 -0.0424 -0.2443 2144137 PK04_098233 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L20 compound treatment 0.0056 0.00728 0.28 0.017 0.0183 0.75 0.7318 0.9114 3413992 PK04_098234 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L21 compound treatment -0.0154 -0.0137 -0.53 -0.018 -0.0166 -0.68 -0.859 -0.9926 2143369 PK04_098235 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L22 compound treatment 0.0106 0.0123 0.48 0.019 0.0203 0.83 0.9274 0.9654 3413998 PK04_098236 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@H](Cc5cccc(Br)c5)C/C=C/C[C@@H](Cc6cccc(Br)c6)C(=O)O[C@@H]14 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L23 mock treatment 0.0126 0.0143 0.56 0.013 0.0143 0.59 0.8079 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 L24 mock treatment 0.0196 0.0213 0.83 0.018 0.0193 0.79 1.1456 0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M01 compound treatment -0.0074 -0.00572 -0.22 0.003 0.00433 0.18 -0.0321 -0.1127 2141977 PK04_098237 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M02 compound treatment 0.0226 0.0243 0.94 0.022 0.0233 0.96 1.3441 1.0 2144277 PK04_098238 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M03 compound treatment -0.0054 -0.00372 -0.14 -0.01 -0.00863 -0.35 -0.3525 -0.9223 2143353 PK04_098239 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M04 compound treatment -0.0024 -7.17E-4 -0.03 0.002 0.00333 0.14 0.0767 0.5508 2142753 PK04_098240 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M05 compound treatment 0.0026 0.00428 0.17 0.003 0.00433 0.18 0.2434 0.9995 2142713 PK04_098241 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M06 compound treatment 0.0046 0.00628 0.24 0.002 0.00333 0.14 0.2695 0.9619 2143893 PK04_098242 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M07 compound treatment 0.0086 0.0103 0.4 0.007 0.00833 0.34 0.5238 0.9969 2143173 PK04_098243 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M08 compound treatment 0.0076 0.00925 0.36 0.012 0.0133 0.55 0.6411 0.9797 2143913 PK04_098244 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M09 mock treatment 6.0E-4 0.00228 0.09 0.001 0.00237 0.1 0.1315 0.9991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M10 mock treatment -0.0094 -0.00775 -0.3 -0.009 -0.00767 -0.31 -0.4357 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M11 compound treatment 0.0106 0.0123 0.48 0.013 0.0143 0.59 0.7536 0.9948 2143965 PK04_098245 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M12 compound treatment 0.0016 0.00328 0.13 0.007 0.00833 0.34 0.3318 0.9103 2144453 PK04_098246 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M13 mock treatment -0.0024 -7.17E-4 -0.03 -0.003 -0.00163 -0.07 -0.067 -0.9251 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M14 mock treatment 0.0116 0.0133 0.52 0.011 0.0123 0.51 0.7223 0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M15 compound treatment 0.0086 0.0103 0.4 -0.008 -0.00667 -0.27 0.0899 0.1854 2142065 PK04_098247 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M16 compound treatment -0.0024 -7.17E-4 -0.03 -0.001 3.28E-4 0.01 -0.0103 -0.3306 2143293 PK04_098248 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M17 compound treatment -0.0074 -0.00569 -0.22 -0.008 -0.00663 -0.27 -0.3489 -0.9949 2142857 PK04_098249 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M18 compound treatment 6.0E-4 0.00228 0.09 0.013 0.0143 0.59 0.4781 0.805 2142613 PK04_098250 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M19 compound treatment 0.0106 0.0123 0.48 0.012 0.0133 0.55 0.7246 0.9978 2142697 PK04_098251 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M20 compound treatment -0.0144 -0.0127 -0.5 -0.025 -0.0237 -0.97 -1.0363 -0.9514 2144821 PK04_098252 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M21 compound treatment 0.0046 0.00628 0.24 0.004 0.00537 0.22 0.3286 0.9986 2142965 PK04_098253 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M22 compound treatment 0.0086 0.0103 0.4 0.008 0.00933 0.38 0.5528 0.9998 2144777 PK04_098254 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M23 compound treatment 0.0016 0.00328 0.13 0.001 0.00233 0.1 0.1579 0.9896 2141143 PK04_098255 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 M24 compound treatment -0.0584 -0.0567 -2.21 -0.038 -0.0367 -1.5 -2.6252 -0.9824 2144937 PK04_098256 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N01 compound treatment -0.0204 -0.0187 -0.73 -0.03 -0.0287 -1.17 -1.3457 -0.9735 2144901 PK04_098257 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N02 compound treatment -0.0494 -0.0477 -1.86 -0.053 -0.0517 -2.12 -2.8119 -0.9979 3413999 PK04_098258 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N03 compound treatment -0.0094 -0.00772 -0.3 -0.002 -6.72E-4 -0.03 -0.2321 -0.7686 2143297 PK04_098259 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N04 compound treatment -0.0134 -0.0117 -0.46 -0.012 -0.0106 -0.44 -0.6309 -0.9997 3414005 PK04_098260 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N05 compound treatment -0.0164 -0.0147 -0.57 -0.008 -0.00663 -0.27 -0.5968 -0.9421 2142017 PK04_098261 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N06 compound treatment -0.0184 -0.0167 -0.65 -0.017 -0.0157 -0.64 -0.9155 -1.0 3188747 PK04_098262 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)CCc3ccccc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N07 compound treatment -0.0284 -0.0267 -1.04 -0.014 -0.0127 -0.52 -1.104 -0.9483 2143017 PK04_098263 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N08 compound treatment -0.0364 -0.0347 -1.35 -0.033 -0.0317 -1.3 -1.875 -0.9998 3188748 PK04_098264 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N09 mock treatment -0.0384 -0.0367 -1.43 -0.043 -0.0417 -1.71 -2.2199 -0.9962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N10 mock treatment -0.0084 -0.00672 -0.26 -0.003 -0.00163 -0.07 -0.2323 -0.8602 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N11 compound treatment -0.0184 -0.0167 -0.65 -0.015 -0.0136 -0.56 -0.8547 -0.9971 2144265 PK04_098265 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N12 compound treatment -0.0084 -0.00672 -0.26 -0.003 -0.00163 -0.07 -0.2323 -0.8602 3069249 PK04_098266 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)c3c(OC)cccc3OC)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N13 mock treatment -0.0034 -0.00172 -0.07 0.003 0.00437 0.18 0.0793 0.4148 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N14 mock treatment -4.0E-4 0.00129 0.05 0.0 0.00138 0.06 0.0753 0.9983 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N15 compound treatment -0.0184 -0.0167 -0.65 -0.022 -0.0207 -0.85 -1.0604 -0.9917 2143165 PK04_098267 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N16 compound treatment -0.0014 2.83E-4 0.01 -0.002 -6.72E-4 -0.03 -0.0117 -0.3939 3188751 PK04_098268 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N17 compound treatment -0.0194 -0.0177 -0.69 -0.017 -0.0156 -0.64 -0.9419 -0.9993 2144365 PK04_098269 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N18 compound treatment -0.0024 -7.17E-4 -0.03 -0.001 3.28E-4 0.01 -0.0103 -0.3306 3188752 PK04_098270 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3cccc(F)c3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N19 compound treatment -0.0214 -0.0197 -0.77 -0.02 -0.0186 -0.76 -1.0839 -1.0 2142105 PK04_098271 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N20 compound treatment 0.0026 0.00428 0.17 0.002 0.00333 0.14 0.2144 0.995 3068687 PK04_098272 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(OC)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N21 compound treatment 0.0016 0.00328 0.13 0.006 0.00733 0.3 0.3028 0.9276 2144245 PK04_098273 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N22 compound treatment 6.0E-4 0.00228 0.09 -0.002 -6.32E-4 -0.03 0.0446 0.4812 3068689 PK04_098274 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N23 compound treatment -4.0E-4 0.00128 0.05 0.001 0.00237 0.1 0.104 0.9524 2143153 PK04_098275 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 N24 compound treatment -0.0304 -0.0287 -1.12 -0.025 -0.0237 -0.97 -1.4771 -0.9975 3188876 PK04_098276 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O01 compound treatment -0.0114 -0.00972 -0.38 -0.007 -0.00567 -0.23 -0.4321 -0.9726 2143373 PK04_098277 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O02 compound treatment 0.0056 0.00728 0.28 -0.004 -0.00267 -0.11 0.1232 0.4051 2142209 PK04_098278 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O03 compound treatment 0.0096 0.0113 0.44 -0.003 -0.00163 -0.07 0.2627 0.5924 2144345 PK04_098279 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O04 compound treatment 0.0086 0.0103 0.4 0.006 0.00733 0.3 0.4948 0.9901 2142673 PK04_098280 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O05 compound treatment 0.0096 0.0113 0.44 -0.011 -0.00967 -0.4 0.0306 0.0516 2143977 PK04_098281 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O06 compound treatment 0.0076 0.00928 0.36 -0.01 -0.00867 -0.36 0.0044 0.0088 2142077 PK04_098282 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O07 compound treatment 0.0046 0.00628 0.24 -0.014 -0.0126 -0.52 -0.193 -0.337 2141985 PK04_098283 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O08 compound treatment 0.0166 0.0183 0.71 0.014 0.0153 0.63 0.9479 0.998 2143485 PK04_098284 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O09 compound treatment -0.0574 -0.0557 -2.17 -0.02 -0.0187 -0.77 -2.076 -0.902 2144665 PK04_098285 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O10 compound treatment 6.0E-4 0.00228 0.09 -0.004 -0.00263 -0.11 -0.0134 -0.0957 2143273 PK04_098286 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O11 mock treatment -0.0044 -0.00271 -0.11 -0.004 -0.00263 -0.11 -0.1509 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O12 mock treatment -0.0014 2.83E-4 0.01 -0.002 -6.32E-4 -0.03 -0.0105 -0.3739 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O13 compound treatment -0.0204 -0.0187 -0.73 -0.01 -0.00867 -0.36 -0.7661 -0.9456 2144773 PK04_098287 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O14 compound treatment -0.0094 -0.00769 -0.3 -0.001 3.28E-4 0.01 -0.2023 -0.6747 2143945 PK04_098288 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O15 compound treatment -0.0394 -0.0377 -1.47 -0.058 -0.0567 -2.32 -2.6813 -0.9756 2144317 PK04_098289 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O16 compound treatment -0.0024 -7.17E-4 -0.03 0.0 0.00137 0.06 0.0199 0.3174 2143905 PK04_098290 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O17 compound treatment 0.0026 0.00428 0.17 0.004 0.00533 0.22 0.2724 0.9912 2143917 PK04_098291 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O18 compound treatment 0.0036 0.00525 0.2 0.007 0.00833 0.34 0.386 0.9701 2144253 PK04_098292 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O19 compound treatment -0.0124 -0.0107 -0.42 -0.007 -0.00563 -0.23 -0.4576 -0.9613 2144105 PK04_098293 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O20 compound treatment -0.0244 -0.0227 -0.88 -0.022 -0.0206 -0.85 -1.2229 -0.9998 2144293 PK04_098294 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O21 compound treatment 0.0086 0.0103 0.4 0.01 0.0113 0.46 0.6115 0.9973 2142997 PK04_098295 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O22 compound treatment 0.0136 0.0153 0.6 0.007 0.00833 0.34 0.6624 0.9651 2144737 PK04_098296 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O23 compound treatment -0.0214 -0.0197 -0.77 0.022 0.0233 0.96 0.1328 0.1083 2141452 PK04_098297 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 O24 compound treatment -0.0094 -0.00769 -0.3 -0.007 -0.00563 -0.23 -0.375 -0.9917 2142677 PK04_098298 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P01 compound treatment -0.1284 -0.127 -4.94 -0.125 -0.124 -5.07 -7.0747 -0.9999 2144005 PK04_098299 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P02 compound treatment -0.0204 -0.0187 -0.73 -0.027 -0.0256 -1.05 -1.2575 -0.984 3068772 PK04_098300 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(C#N)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P03 compound treatment -0.0194 -0.0177 -0.69 -0.028 -0.0267 -1.09 -1.2618 -0.9756 2142593 PK04_098301 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P04 compound treatment -0.0314 -0.0297 -1.16 -0.029 -0.0277 -1.13 -1.6206 -0.9999 3000699 PK04_098302 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P05 compound treatment -0.0154 -0.0137 -0.54 -0.018 -0.0167 -0.68 -0.8618 -0.9927 2144921 PK04_098303 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P06 compound treatment -0.0194 -0.0177 -0.69 -0.018 -0.0166 -0.68 -0.9692 -1.0 3000700 PK04_098304 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P07 compound treatment -0.0324 -0.0307 -1.2 -0.03 -0.0287 -1.17 -1.6779 -1.0 2143937 PK04_098305 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P08 compound treatment -0.0354 -0.0337 -1.31 -0.029 -0.0277 -1.13 -1.7308 -0.9973 3000701 PK04_098306 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P09 compound treatment -0.0174 -0.0157 -0.61 -0.017 -0.0157 -0.64 -0.888 -0.9997 2144785 PK04_098307 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P10 compound treatment -0.0104 -0.00872 -0.34 -0.01 -0.00863 -0.35 -0.4903 -0.9998 3089322 PK04_098308 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P11 mock treatment -0.0364 -0.0347 -1.35 -0.034 -0.0327 -1.34 -1.904 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P12 mock treatment -0.0304 -0.0287 -1.12 -0.023 -0.0217 -0.89 -1.4199 -0.9934 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P13 compound treatment -0.0294 -0.0277 -1.08 -0.025 -0.0236 -0.97 -1.4484 -0.9985 2144213 PK04_098309 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P14 compound treatment -0.0124 -0.0107 -0.42 -0.012 -0.0106 -0.44 -0.6033 -0.9998 3089323 PK04_098310 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P15 compound treatment -0.0294 -0.0277 -1.08 -0.035 -0.0337 -1.38 -1.7402 -0.9927 2144225 PK04_098311 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P16 compound treatment -0.0034 -0.00172 -0.07 -0.019 -0.0176 -0.72 -0.5582 -0.7693 3000703 PK04_098312 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P17 compound treatment -0.0264 -0.0247 -0.96 -0.023 -0.0216 -0.89 -1.307 -0.9992 2141953 PK04_098313 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P18 compound treatment -0.0314 -0.0297 -1.16 -0.026 -0.0247 -1.01 -1.5344 -0.9977 3000704 PK04_098314 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)c4cc5ccccc5[nH]4)[C@H]1OC(=O)c6cc7ccccc7[nH]6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P19 compound treatment -0.0304 -0.0287 -1.12 -0.024 -0.0227 -0.93 -1.4481 -0.9957 2143337 PK04_098315 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P20 compound treatment -0.0224 -0.0207 -0.81 -0.023 -0.0216 -0.89 -1.1968 -0.9989 3089326 PK04_098316 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P21 compound treatment -0.0244 -0.0227 -0.88 -0.027 -0.0256 -1.05 -1.3677 -0.9963 2143233 PK04_098317 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P22 compound treatment -0.0304 -0.0287 -1.12 -0.032 -0.0307 -1.26 -1.6799 -0.9983 3089328 PK04_098318 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P23 compound treatment -0.0364 -0.0347 -1.35 -0.036 -0.0347 -1.42 -1.962 -0.9997 2142969 PK04_098319 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2098 P24 compound treatment -0.0114 -0.00972 -0.38 0.008 0.00933 0.38 0.0026 0.0048 3189006 PK04_098320 CC(C)[Si](OCCCNS(=O)(=O)c1ccc(Br)cc1)(C(C)C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A01 compound treatment 2.0E-4 9.02E-4 0.04 -0.0104 -0.00915 -0.37 -0.2403 -0.6381 3052787 PK04_100001 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A02 compound treatment -0.0377 -0.0371 -1.44 -0.0454 -0.0441 -1.81 -2.3 -0.9938 3052649 PK04_100002 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A03 compound treatment -0.0347 -0.0341 -1.33 6.0E-4 0.00187 0.08 -0.8841 -0.6652 3176622 PK04_100003 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A04 compound treatment -0.0407 -0.0401 -1.56 -0.0234 -0.0222 -0.91 -1.7454 -0.9668 3175961 PK04_100004 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A05 compound treatment -0.2928 -0.292 -11.38 -0.3015 -0.3 -12.3 -16.749 -0.9992 3176556 PK04_100005 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A06 compound treatment -0.0427 -0.042 -1.64 -0.0364 -0.0352 -1.44 -2.1764 -0.998 3176630 PK04_100006 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A07 compound treatment -0.5178 -0.517 -20.15 -0.5125 -0.511 -20.95 -29.0614 -0.9998 3175901 PK04_100007 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A08 compound treatment -0.0257 -0.0251 -0.98 -0.0124 -0.0111 -0.46 -1.0128 -0.94 3176729 PK04_100008 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A09 compound treatment 0.0243 0.0249 0.97 0.0316 0.0328 1.35 1.6391 0.9872 3052580 PK04_100009 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A10 compound treatment -0.5218 -0.521 -20.3 -0.5205 -0.519 -21.28 -29.4035 -0.9997 3176731 PK04_100010 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A11 compound treatment 0.0203 0.0209 0.82 0.0136 0.0148 0.61 1.0073 0.9896 3176633 PK04_100011 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A12 compound treatment -0.5418 -0.541 -21.08 -0.5445 -0.543 -22.26 -30.6504 -0.9996 3176445 PK04_100012 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A13 mock treatment -0.0187 -0.0181 -0.7 -0.0044 -0.00315 -0.13 -0.5888 -0.8231 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A14 mock treatment -0.0117 -0.0111 -0.43 -0.0174 -0.0162 -0.66 -0.7726 -0.9784 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A15 compound treatment 0.0133 0.0139 0.54 0.0316 0.0328 1.35 1.3357 0.9204 3175963 PK04_100013 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A16 compound treatment -0.0087 -0.00802 -0.31 -0.0034 -0.00216 -0.09 -0.2835 -0.8731 3052785 PK04_100014 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A17 compound treatment -0.0487 -0.048 -1.87 -0.0154 -0.0141 -0.58 -1.7323 -0.8846 3052837 PK04_100015 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A18 compound treatment -0.0177 -0.0171 -0.66 -0.0054 -0.00415 -0.17 -0.5902 -0.8604 3176262 PK04_100016 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A19 compound treatment -0.0187 -0.0181 -0.7 -0.0074 -0.00615 -0.25 -0.6757 -0.9042 3176686 PK04_100017 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A20 compound treatment -0.1107 -0.11 -4.29 -0.0944 -0.0931 -3.82 -5.7299 -0.9983 3176371 PK04_100018 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A21 compound treatment -0.0287 -0.028 -1.09 -0.0334 -0.0322 -1.32 -1.7035 -0.9956 3052829 PK04_100019 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A22 compound treatment -0.0307 -0.0301 -1.17 -0.0234 -0.0222 -0.91 -1.47 -0.9921 3052833 PK04_100020 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A23 compound treatment -0.0157 -0.0151 -0.59 -0.0084 -0.00713 -0.29 -0.6214 -0.9482 3052878 PK04_100021 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 A24 compound treatment -0.0387 -0.038 -1.48 -0.0284 -0.0272 -1.11 -1.8341 -0.9901 3052694 PK04_100022 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B01 compound treatment -0.0048 -0.0041 -0.16 6.0E-4 0.00187 0.08 -0.0587 -0.3315 3052928 PK04_100023 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B02 compound treatment -0.0088 -0.0081 -0.32 0.0056 0.00685 0.28 -0.0246 -0.0582 3052800 PK04_100024 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B03 compound treatment 0.0123 0.0129 0.5 0.0206 0.0218 0.9 0.9897 0.9631 3052842 PK04_100025 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B04 compound treatment -0.0477 -0.047 -1.83 -0.0264 -0.0252 -1.03 -2.0244 -0.963 3176782 PK04_100026 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B05 compound treatment 0.0112 0.0119 0.46 0.0236 0.0248 1.02 1.048 0.9366 3175971 PK04_100027 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B06 compound treatment 2.0E-4 9.03E-4 0.04 0.0056 0.00687 0.28 0.2239 0.7893 3176561 PK04_100028 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B07 compound treatment -0.0067 -0.00606 -0.24 6.0E-4 0.00184 0.08 -0.1136 -0.4584 3176369 PK04_100029 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B08 compound treatment 0.0092 0.0099 0.39 0.0156 0.0168 0.69 0.761 0.9622 3176441 PK04_100030 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B09 compound treatment 0.0123 0.0129 0.5 0.0076 0.00885 0.36 0.613 0.9869 3052641 PK04_100031 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B10 compound treatment -0.0047 -0.00406 -0.16 0.0036 0.00485 0.2 0.0288 0.1132 3176555 PK04_100032 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B11 compound treatment -0.0048 -0.0041 -0.16 0.0046 0.00587 0.24 0.0572 0.1982 3176554 PK04_100033 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B12 compound treatment -0.0058 -0.0051 -0.2 -0.0044 -0.00313 -0.13 -0.2311 -0.9776 3052747 PK04_100034 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B13 mock treatment 0.0123 0.0129 0.5 0.0106 0.0118 0.49 0.6999 0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B14 mock treatment -0.0058 -0.00509 -0.2 0.0206 0.0218 0.9 0.4928 0.5373 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B15 compound treatment -0.1258 -0.125 -4.88 -0.1095 -0.108 -4.44 -6.5851 -0.9989 3052707 PK04_100035 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B16 compound treatment 0.0063 0.00694 0.27 -0.0024 -0.00114 -0.05 0.1582 0.5764 3176447 PK04_100036 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B17 compound treatment -0.0078 -0.0071 -0.28 0.0166 0.0178 0.73 0.3217 0.4114 3176194 PK04_100037 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B18 compound treatment -0.0068 -0.0061 -0.24 0.0116 0.0128 0.53 0.2043 0.3537 3176504 PK04_100038 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B19 compound treatment -0.0048 -0.0041 -0.16 0.0076 0.00885 0.36 0.1435 0.3622 3176439 PK04_100039 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B20 compound treatment 0.0022 0.0029 0.11 0.0106 0.0119 0.49 0.4239 0.8489 3176678 PK04_100040 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B21 compound treatment -0.0207 -0.02 -0.78 -0.0074 -0.00616 -0.25 -0.73 -0.8905 3176260 PK04_100041 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B22 compound treatment -0.0477 -0.047 -1.83 -0.0174 -0.0161 -0.66 -1.7631 -0.9053 3176621 PK04_100042 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B23 compound treatment -0.0247 -0.0241 -0.94 0.0076 0.00884 0.36 -0.4066 -0.4046 3176370 PK04_100043 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 B24 compound treatment -0.0118 -0.0111 -0.43 0.0126 0.0138 0.57 0.0956 0.134 3176636 PK04_100044 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C01 compound treatment -0.5208 -0.52 -20.27 -0.5165 -0.515 -21.12 -29.2606 -0.9998 3052532 PK04_100045 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C02 compound treatment -0.0407 -0.04 -1.56 -0.0264 -0.0251 -1.03 -1.831 -0.9798 3052638 PK04_100046 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C03 compound treatment -0.0287 -0.028 -1.09 -0.0164 -0.0151 -0.62 -1.2106 -0.9642 3052540 PK04_100047 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCN(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C04 compound treatment -0.0317 -0.0311 -1.21 -0.0074 -0.00614 -0.25 -1.0335 -0.8363 3052751 PK04_100048 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C05 compound treatment -0.0227 -0.0221 -0.86 0.0156 0.0168 0.69 -0.1194 -0.1083 3052702 PK04_100049 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C06 compound treatment -0.0048 -0.0041 -0.16 -0.0124 -0.0111 -0.46 -0.4354 -0.901 3176680 PK04_100050 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C07 compound treatment -0.0058 -0.0051 -0.2 -0.0074 -0.00613 -0.25 -0.3182 -0.9932 3052743 PK04_100051 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C08 compound treatment -0.0068 -0.0061 -0.24 -0.0064 -0.00514 -0.21 -0.3169 -0.9982 3176043 PK04_100052 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C09 compound treatment -7.0E-4 -1.74E-5 0.0 -0.0134 -0.0122 -0.5 -0.3529 -0.7081 3052925 PK04_100053 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C10 compound treatment -0.4708 -0.47 -18.32 -0.4945 -0.493 -20.21 -27.2455 -0.9988 3176324 PK04_100054 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C11 mock treatment -0.0028 -0.0021 -0.08 0.0036 0.00487 0.2 0.0832 0.3862 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C12 mock treatment -0.0077 -0.00706 -0.27 0.0016 0.00287 0.12 -0.1113 -0.3721 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C13 compound treatment -0.0117 -0.0111 -0.43 -0.0074 -0.00616 -0.25 -0.4831 -0.9676 3176376 PK04_100055 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C14 compound treatment -0.5358 -0.535 -20.85 -0.5415 -0.54 -22.14 -30.3982 -0.9996 3176324 PK04_100056 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C15 mock treatment -0.0028 -0.0021 -0.08 -0.0034 -0.00213 -0.09 -0.1195 -0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C16 mock treatment -0.0028 -0.0021 -0.08 0.0086 0.00985 0.4 0.2276 0.5527 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C17 compound treatment -8.0E-4 -9.74E-5 0.0 0.0106 0.0118 0.49 0.3407 0.7016 3052884 PK04_100057 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C18 compound treatment -0.0068 -0.0061 -0.24 0.0036 0.00487 0.2 -0.0269 -0.0867 3176562 PK04_100058 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C19 compound treatment -0.0247 -0.0241 -0.94 -0.0094 -0.00814 -0.33 -0.8987 -0.9033 3176124 PK04_100059 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C20 compound treatment -0.0277 -0.0271 -1.05 -0.0224 -0.0211 -0.87 -1.358 -0.9953 3052784 PK04_100060 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C21 compound treatment -0.0157 -0.0151 -0.59 -0.0114 -0.0101 -0.42 -0.7084 -0.9857 3052792 PK04_100061 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C22 compound treatment -0.0267 -0.0261 -1.02 -0.0154 -0.0141 -0.58 -1.1273 -0.9646 3052749 PK04_100062 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C23 compound treatment -0.0297 -0.0291 -1.13 -0.0094 -0.00813 -0.33 -1.0361 -0.878 3176204 PK04_100063 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 C24 compound treatment -0.0087 -0.00806 -0.31 6.0E-4 0.00187 0.08 -0.1678 -0.5193 3176041 PK04_100064 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D01 compound treatment -0.0557 -0.055 -2.14 -0.0444 -0.0431 -1.77 -2.7658 -0.9954 3052926 PK04_100065 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D02 compound treatment -0.0147 -0.0141 -0.55 -0.0104 -0.00914 -0.37 -0.6523 -0.9829 3176201 PK04_100066 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D03 compound treatment 0.0022 0.0029 0.11 0.0056 0.00687 0.28 0.2789 0.9198 3052885 PK04_100067 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D04 compound treatment -0.0827 -0.0821 -3.2 -0.1094 -0.108 -4.43 -5.3949 -0.9871 3176377 PK04_100068 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D05 compound treatment -0.0018 -0.0011 -0.04 -0.0104 -0.00914 -0.37 -0.2951 -0.7827 3052790 PK04_100069 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D06 compound treatment -0.0107 -0.01 -0.39 -0.0044 -0.00316 -0.13 -0.3676 -0.8938 3052881 PK04_100070 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D07 compound treatment 0.0062 0.0069 0.27 0.0126 0.0138 0.57 0.5915 0.9418 3052536 PK04_100071 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D08 compound treatment 0.0082 0.0089 0.35 -0.0064 -0.00513 -0.21 0.0966 0.2381 3052923 PK04_100072 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D09 compound treatment -0.0277 -0.0271 -1.05 -0.0094 -0.00813 -0.33 -0.9811 -0.8874 3052690 PK04_100073 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D10 compound treatment -0.0047 -0.00406 -0.16 -0.0144 -0.0132 -0.54 -0.4928 -0.8775 3052841 PK04_100074 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D11 mock treatment 0.0022 0.0029 0.11 0.0126 0.0138 0.57 0.4813 0.8317 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D12 mock treatment 0.0042 0.0049 0.19 -0.0064 -0.00513 -0.21 -0.0136 -0.048 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D13 compound treatment -0.0157 -0.0151 -0.59 0.0046 0.00587 0.24 -0.2448 -0.386 3176624 PK04_100075 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D14 compound treatment -0.0998 -0.0992 -3.86 -0.1174 -0.116 -4.76 -6.0978 -0.9946 3176375 PK04_100076 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D15 mock treatment -0.0137 -0.0131 -0.51 -0.0124 -0.0112 -0.46 -0.6828 -0.9986 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D16 mock treatment 0.0052 0.0059 0.23 -0.0014 -1.34E-4 -0.01 0.1587 0.69 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D17 compound treatment 0.0042 0.0049 0.19 -0.0044 -0.00313 -0.13 0.0444 0.1928 3176503 PK04_100077 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D18 compound treatment -8.0E-4 -9.74E-5 0.0 -4.0E-4 8.7E-4 0.04 0.0225 0.6283 3052543 PK04_100078 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D19 compound treatment -0.0227 -0.0221 -0.86 -0.0204 -0.0191 -0.78 -1.1623 -0.999 3052538 PK04_100079 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D20 compound treatment -0.0267 -0.0261 -1.02 -0.0064 -0.00513 -0.21 -0.8665 -0.8358 3052705 PK04_100080 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D21 compound treatment -0.0167 -0.0161 -0.63 -0.0204 -0.0192 -0.78 -0.9973 -0.9937 3052691 PK04_100081 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D22 compound treatment -0.5468 -0.546 -21.28 -0.5435 -0.542 -22.22 -30.7592 -0.9998 3052534 PK04_100082 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D23 compound treatment 0.0153 0.0159 0.62 6.0E-4 0.00187 0.08 0.4934 0.7884 3176202 PK04_100083 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 D24 compound treatment -0.5548 -0.554 -21.59 -0.5505 -0.549 -22.51 -31.1824 -0.9998 3176197 PK04_100084 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E01 mock treatment 0.0023 0.00294 0.11 0.0046 0.00587 0.24 0.2511 0.9426 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E02 mock treatment 0.0062 0.00691 0.27 0.0166 0.0178 0.73 0.7075 0.9077 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E03 compound treatment -0.0028 -0.0021 -0.08 0.0136 0.0148 0.61 0.3726 0.6068 3176672 PK04_100085 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E04 compound treatment -0.0267 -0.0261 -1.02 -0.0104 -0.00914 -0.37 -0.9827 -0.9082 3052883 PK04_100086 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E05 compound treatment 0.0023 0.00298 0.12 0.0126 0.0138 0.57 0.4832 0.8346 3176126 PK04_100087 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E06 compound treatment -0.0187 -0.0181 -0.7 -0.0154 -0.0142 -0.58 -0.9078 -0.9954 3052533 PK04_100088 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E07 compound treatment -0.0077 -0.00706 -0.27 -4.0E-4 8.4E-4 0.03 -0.1701 -0.6138 3175839 PK04_100089 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E08 compound treatment -0.0317 -0.0311 -1.21 -0.0164 -0.0152 -0.62 -1.2949 -0.952 3052695 PK04_100090 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E09 mock treatment 0.0072 0.00791 0.31 0.0136 0.0148 0.61 0.6481 0.9502 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E10 mock treatment 0.0233 0.0239 0.93 0.0186 0.0198 0.81 1.2348 0.9977 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E11 compound treatment -0.1488 -0.148 -5.77 -0.1555 -0.154 -6.32 -8.5518 -0.999 3176568 PK04_100091 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E12 compound treatment -0.5098 -0.509 -19.84 -0.5165 -0.515 -21.12 -28.958 -0.9995 3176044 PK04_100092 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E13 compound treatment 0.0033 0.00394 0.15 0.0166 0.0178 0.73 0.6256 0.8374 3052753 PK04_100093 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E14 compound treatment -0.3948 -0.394 -15.36 -0.3965 -0.395 -16.2 -22.312 -0.9996 3175962 PK04_100094 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E15 compound treatment 0.0133 0.0139 0.54 0.0446 0.0458 1.88 1.7127 0.8757 3176325 PK04_100095 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E16 compound treatment -8.0E-4 -9.74E-5 0.0 0.0086 0.00987 0.4 0.2833 0.7004 3052542 PK04_100096 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E17 mock treatment 0.0213 0.0219 0.85 0.0026 0.00387 0.16 0.7166 0.8242 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E18 mock treatment 0.0143 0.0149 0.58 0.0166 0.0178 0.73 0.9289 0.9936 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E19 compound treatment 2.0E-4 9.05E-4 0.04 -0.0104 -0.00913 -0.37 -0.2397 -0.6377 3052746 PK04_100097 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E20 compound treatment -0.0057 -0.00502 -0.2 0.0016 0.00284 0.12 -0.0559 -0.2459 3176676 PK04_100098 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E21 compound treatment 0.0012 0.0019 0.07 0.0116 0.0128 0.53 0.4248 0.7988 3052756 PK04_100099 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E22 compound treatment -0.0097 -0.00906 -0.35 0.0056 0.00684 0.28 -0.0513 -0.1139 3176560 PK04_100100 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E23 compound treatment -0.0118 -0.0111 -0.43 6.0E-4 0.00187 0.08 -0.2516 -0.5729 3052487 PK04_100101 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 E24 compound treatment 0.0112 0.0119 0.46 0.0026 0.00387 0.16 0.44 0.8979 3176563 PK04_100102 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F01 mock treatment -0.0068 -0.0061 -0.24 -4.0E-4 8.7E-4 0.04 -0.1428 -0.5944 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F02 mock treatment -0.0087 -0.00806 -0.31 0.0036 0.00487 0.2 -0.081 -0.2178 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F03 compound treatment 0.0133 0.0139 0.54 0.0136 0.0148 0.61 0.8144 0.9984 3176684 PK04_100103 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F04 compound treatment 0.0073 0.00794 0.31 -0.0094 -0.00813 -0.33 -0.0168 -0.0369 3176121 PK04_100104 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F05 compound treatment -0.0058 -0.0051 -0.2 0.0186 0.0198 0.81 0.4348 0.5192 3176435 PK04_100105 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F06 compound treatment 0.0102 0.0109 0.42 0.0086 0.00987 0.4 0.5864 0.9997 3176627 PK04_100106 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F07 compound treatment -0.0467 -0.0461 -1.79 -0.0284 -0.0271 -1.11 -2.0553 -0.9735 3176774 PK04_100107 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F08 compound treatment 0.0143 0.0149 0.58 0.0166 0.0178 0.73 0.9289 0.9936 3174822 PK04_100108 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F09 mock treatment 0.0173 0.0179 0.7 -0.0114 -0.0102 -0.42 0.2002 0.2461 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F10 mock treatment 0.0112 0.0119 0.46 0.0236 0.0248 1.02 1.048 0.9366 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F11 compound treatment 0.0023 0.00294 0.11 0.0046 0.00587 0.24 0.2512 0.9425 3176192 PK04_100109 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F12 compound treatment -0.0148 -0.0141 -0.55 -0.0084 -0.00713 -0.29 -0.5951 -0.9564 3052594 PK04_100110 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F13 compound treatment 0.0032 0.0039 0.15 0.0136 0.0148 0.61 0.5378 0.8574 3052748 PK04_100111 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F14 compound treatment 0.0243 0.025 0.97 -0.0014 -1.6E-4 -0.01 0.6836 0.7023 3176567 PK04_100112 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F15 compound treatment 0.0143 0.0149 0.58 0.0046 0.00587 0.24 0.5817 0.9235 3052759 PK04_100113 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F16 compound treatment -0.0387 -0.038 -1.48 -0.0414 -0.0402 -1.65 -2.2111 -0.9986 3176780 PK04_100114 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F17 mock treatment 0.0052 0.0059 0.23 0.0056 0.00687 0.28 0.3617 0.995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F18 mock treatment 0.0193 0.0199 0.78 0.0036 0.00487 0.2 0.6905 0.8608 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F19 compound treatment 0.0032 0.0039 0.15 0.0126 0.0138 0.57 0.5088 0.866 3176625 PK04_100115 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F20 compound treatment 0.0032 0.0039 0.15 0.0106 0.0119 0.49 0.4515 0.8859 3052750 PK04_100116 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F21 compound treatment 0.0062 0.0069 0.27 0.0026 0.00387 0.16 0.3023 0.9682 3052889 PK04_100117 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F22 compound treatment -0.5498 -0.549 -21.39 -0.5445 -0.543 -22.26 -30.8697 -0.9998 3052696 PK04_100118 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F23 compound treatment -0.0197 -0.0191 -0.74 0.0146 0.0158 0.65 -0.0658 -0.0667 3176674 PK04_100119 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 F24 compound treatment 0.0123 0.0129 0.5 -0.0044 -0.00313 -0.13 0.2658 0.5109 3176436 PK04_100120 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G01 compound treatment -0.0247 -0.0241 -0.94 0.0036 0.00485 0.2 -0.5222 -0.5451 3052845 PK04_100121 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G02 compound treatment -0.0277 -0.0271 -1.05 -0.0284 -0.0271 -1.11 -1.5319 -0.9996 3052835 PK04_100122 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G03 mock treatment -0.0068 -0.00609 -0.24 -0.0104 -0.00915 -0.37 -0.4331 -0.9757 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G04 mock treatment -0.0018 -0.0011 -0.04 0.0076 0.00887 0.36 0.2268 0.6197 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G05 compound treatment -0.0038 -0.0031 -0.12 6.0E-4 0.00187 0.08 -0.0312 -0.218 3176502 PK04_100123 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCN(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G06 compound treatment -0.0157 -0.0151 -0.59 -0.0204 -0.0191 -0.78 -0.9695 -0.9898 3176265 PK04_100124 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G07 compound treatment -0.0447 -0.044 -1.71 -0.1885 -0.187 -7.67 -6.639 -0.8443 3052742 PK04_100125 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G08 compound treatment -0.0207 -0.0201 -0.78 -0.0094 -0.00814 -0.33 -0.7885 -0.928 3052639 PK04_100126 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G09 compound treatment 0.0013 0.00198 0.08 -0.0024 -0.00113 -0.05 0.0219 0.2427 3176200 PK04_100127 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G10 compound treatment -0.5148 -0.514 -20.03 -0.5205 -0.519 -21.28 -29.21 -0.9995 3052650 PK04_100128 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G11 compound treatment -0.0197 -0.0191 -0.74 -0.0224 -0.0211 -0.87 -1.1377 -0.997 3176683 PK04_100129 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G12 compound treatment -0.5358 -0.535 -20.85 -0.5385 -0.537 -22.02 -30.3107 -0.9996 3176631 PK04_100130 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G13 compound treatment -0.0107 -0.0101 -0.39 0.0126 0.0138 0.57 0.124 0.1798 3176045 PK04_100131 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G14 compound treatment -0.0018 -0.0011 -0.04 -0.0054 -0.00415 -0.17 -0.1505 -0.8582 3176196 PK04_100132 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G15 compound treatment -8.0E-4 -9.74E-5 0.0 -0.0124 -0.0111 -0.46 -0.3252 -0.713 3176446 PK04_100133 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G16 compound treatment -0.0167 -0.0161 -0.63 -0.0034 -0.00213 -0.09 -0.5041 -0.7981 3052834 PK04_100134 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G17 compound treatment -0.5628 -0.562 -21.9 0.0056 0.00685 0.28 -15.2886 -0.698 3052640 PK04_100135 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G18 compound treatment -0.0058 -0.0051 -0.2 -0.0024 -0.00113 -0.05 -0.1732 -0.8493 3176727 PK04_100136 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G19 mock treatment -0.0078 -0.0071 -0.28 6.0E-4 0.00187 0.08 -0.1413 -0.4926 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G20 mock treatment -0.0018 -0.0011 -0.04 -0.0224 -0.0212 -0.87 -0.6431 -0.7411 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G21 compound treatment -0.0207 -0.0201 -0.78 -0.0034 -0.00213 -0.09 -0.6143 -0.7812 3176272 PK04_100137 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G22 compound treatment -0.0087 -0.00806 -0.31 -0.0084 -0.00715 -0.29 -0.4292 -0.9994 3176261 PK04_100138 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G23 compound treatment -0.0107 -0.0101 -0.39 -0.0064 -0.00515 -0.21 -0.4263 -0.9579 3176513 PK04_100139 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 G24 compound treatment -0.0137 -0.0131 -0.51 -0.0284 -0.0272 -1.11 -1.1465 -0.9371 3052924 PK04_100140 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H01 compound treatment -0.0327 -0.032 -1.25 -0.0164 -0.0151 -0.62 -1.3208 -0.948 3176557 PK04_100141 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H02 compound treatment 0.0073 0.00794 0.31 -0.0214 -0.0202 -0.83 -0.3651 -0.414 3052875 PK04_100142 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H03 mock treatment -0.0117 -0.0111 -0.43 -0.0034 -0.00213 -0.09 -0.3664 -0.8335 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H04 mock treatment 2.0E-4 9.03E-4 0.04 -0.0044 -0.00313 -0.13 -0.0658 -0.495 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H05 compound treatment 0.0133 0.0139 0.54 0.0086 0.00985 0.4 0.6696 0.9893 3052652 PK04_100143 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H06 compound treatment 0.0023 0.00298 0.12 0.0066 0.00786 0.32 0.3099 0.9051 3052786 PK04_100144 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H07 compound treatment -0.0068 -0.0061 -0.24 -0.0094 -0.00813 -0.33 -0.4036 -0.9863 3176328 PK04_100145 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H08 compound treatment -0.0018 -0.0011 -0.04 -0.0084 -0.00715 -0.29 -0.2374 -0.8018 3176321 PK04_100146 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H09 compound treatment -0.0377 -0.037 -1.44 -0.0184 -0.0171 -0.7 -1.5165 -0.9453 3176735 PK04_100147 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H10 compound treatment 0.0183 0.0189 0.74 -0.0074 -0.00613 -0.25 0.3442 0.4415 3175969 PK04_100148 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H11 compound treatment -0.0128 -0.0121 -0.47 -0.0174 -0.0162 -0.66 -0.8013 -0.9862 3176193 PK04_100149 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H12 compound treatment -0.0167 -0.0161 -0.63 -0.0054 -0.00413 -0.17 -0.5621 -0.8672 3176050 PK04_100150 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H13 compound treatment -0.0098 -0.0091 -0.35 0.0026 0.00384 0.16 -0.1394 -0.3594 3176569 PK04_100151 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H14 compound treatment 2.0E-4 9.03E-4 0.04 0.0086 0.00985 0.4 0.3103 0.7658 3052874 PK04_100152 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H15 compound treatment -0.0108 -0.0101 -0.39 -0.0114 -0.0102 -0.42 -0.5723 -0.9996 3052832 PK04_100153 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H16 compound treatment 0.0073 0.00794 0.31 -0.0094 -0.00814 -0.33 -0.0171 -0.0375 3176267 PK04_100154 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H17 compound treatment -0.1108 -0.11 -4.29 -0.0905 -0.0893 -3.66 -5.6213 -0.9968 3176378 PK04_100155 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H18 compound treatment -0.0067 -0.00602 -0.23 -0.0054 -0.00416 -0.17 -0.2863 -0.9878 3176322 PK04_100156 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H19 mock treatment -0.0048 -0.0041 -0.16 -0.0094 -0.00815 -0.33 -0.349 -0.9428 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H20 mock treatment -0.0068 -0.0061 -0.24 -0.0024 -0.00113 -0.05 -0.2007 -0.8294 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H21 compound treatment -0.0247 -0.0241 -0.94 -0.0084 -0.00713 -0.29 -0.8694 -0.8855 3052801 PK04_100157 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H22 compound treatment -0.0247 -0.0241 -0.94 -0.0314 -0.0301 -1.24 -1.5362 -0.9907 3176726 PK04_100158 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H23 compound treatment 0.0213 0.0219 0.85 0.0016 0.00284 0.12 0.6868 0.796 3176558 PK04_100159 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 H24 compound treatment -0.0058 -0.0051 -0.2 -0.0084 -0.00713 -0.29 -0.3471 -0.9823 3052704 PK04_100160 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I01 compound treatment -0.0038 -0.0031 -0.12 0.0106 0.0118 0.49 0.258 0.5156 3052648 PK04_100161 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I02 compound treatment -0.0247 -0.0241 -0.94 -0.0304 -0.0291 -1.19 -1.5072 -0.9928 3176506 PK04_100162 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I03 compound treatment -0.0247 -0.0241 -0.94 0.0046 0.00585 0.24 -0.4933 -0.5098 3176274 PK04_100163 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I04 compound treatment -0.0277 -0.0271 -1.05 -0.0254 -0.0242 -0.99 -1.4452 -0.9995 3176679 PK04_100164 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I05 mock treatment 0.0103 0.0109 0.43 -0.0074 -0.00613 -0.25 0.1238 0.2502 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I06 mock treatment -0.0068 -0.0061 -0.24 -0.0154 -0.0142 -0.58 -0.5781 -0.9224 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I07 compound treatment 0.0043 0.00498 0.19 -0.0054 -0.00414 -0.17 0.0173 0.067 3052930 PK04_100165 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I08 compound treatment -0.0267 -0.0261 -1.02 -0.0194 -0.0181 -0.74 -1.2435 -0.9883 3176444 PK04_100166 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I09 compound treatment -0.0048 -0.0041 -0.16 0.0116 0.0128 0.53 0.2595 0.4716 3052697 PK04_100167 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I10 compound treatment -0.5308 -0.53 -20.65 -0.5245 -0.523 -21.44 -29.7667 -0.9998 3176731 PK04_100168 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I11 compound treatment -0.0037 -0.00302 -0.12 -0.0124 -0.0111 -0.46 -0.406 -0.8611 3052535 PK04_100169 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I12 compound treatment -0.5448 -0.544 -21.2 -0.5485 -0.547 -22.43 -30.849 -0.9996 3176198 PK04_100170 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I13 compound treatment 0.0133 0.0139 0.54 0.0076 0.00884 0.36 0.6403 0.9806 3176119 PK04_100171 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I14 compound treatment -0.0077 -0.00706 -0.27 -0.0064 -0.00515 -0.21 -0.3437 -0.9915 3176442 PK04_100172 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I15 compound treatment -0.0207 -0.02 -0.78 -0.0224 -0.0212 -0.87 -1.1646 -0.9986 3176566 PK04_100173 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I16 compound treatment -0.0087 -0.00806 -0.31 -0.0234 -0.0222 -0.91 -0.8638 -0.8994 3052844 PK04_100174 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I17 compound treatment -0.0197 -0.0191 -0.74 0.0086 0.00985 0.4 -0.2396 -0.2835 3176781 PK04_100175 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I18 compound treatment -0.0227 -0.0221 -0.86 0.0126 0.0138 0.57 -0.2063 -0.2003 3052891 PK04_100176 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I19 compound treatment 0.0033 0.00394 0.15 -0.0144 -0.0132 -0.54 -0.2725 -0.4862 3052840 PK04_100177 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I20 compound treatment -0.0197 -0.0191 -0.74 -0.0104 -0.00914 -0.37 -0.7899 -0.9498 3174821 PK04_100178 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I21 mock treatment -0.0177 -0.0171 -0.66 0.0076 0.00887 0.36 -0.2129 -0.2811 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I22 mock treatment 0.0062 0.0069 0.27 -0.0024 -0.00113 -0.05 0.1575 0.5768 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I23 compound treatment -0.0117 -0.0111 -0.43 -0.0064 -0.00513 -0.21 -0.4532 -0.9456 3176670 PK04_100179 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 I24 compound treatment -0.0357 -0.0351 -1.37 -0.0154 -0.0141 -0.58 -1.3753 -0.927 3176728 PK04_100180 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J01 compound treatment -0.0417 -0.041 -1.6 -0.0394 -0.0381 -1.56 -2.2352 -0.9999 3176783 PK04_100181 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J02 compound treatment -0.0067 -0.00606 -0.24 -0.0364 -0.0352 -1.44 -1.1855 -0.8121 3176448 PK04_100182 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J03 compound treatment -0.0277 -0.0271 -1.05 -0.0144 -0.0132 -0.54 -1.1265 -0.9515 3176047 PK04_100183 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J04 compound treatment -0.0058 -0.0051 -0.2 -0.0024 -0.00113 -0.05 -0.1732 -0.8494 3176269 PK04_100184 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J05 mock treatment -0.0028 -0.0021 -0.08 -0.0114 -0.0102 -0.42 -0.3519 -0.8301 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J06 mock treatment 0.0082 0.00891 0.35 -0.0084 -0.00713 -0.29 0.0387 0.0853 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J07 compound treatment -0.0158 -0.0151 -0.59 -4.0E-4 8.7E-4 0.04 -0.3907 -0.6631 3176635 PK04_100185 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J08 compound treatment -0.0067 -0.00606 -0.24 0.0026 0.00387 0.16 -0.0547 -0.1925 3176114 PK04_100186 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J09 compound treatment 0.0032 0.0039 0.15 0.0046 0.00585 0.24 0.277 0.9759 3175966 PK04_100187 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J10 compound treatment -0.0118 -0.0111 -0.43 -0.0144 -0.0132 -0.54 -0.6868 -0.994 3052757 PK04_100188 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J11 compound treatment -0.0027 -0.00202 -0.08 0.0086 0.00984 0.4 0.2296 0.5588 3174819 PK04_100189 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J12 compound treatment -0.0157 -0.0151 -0.59 -0.0234 -0.0221 -0.91 -1.0564 -0.9777 3176738 PK04_100190 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J13 compound treatment -0.0067 -0.00602 -0.23 -0.0194 -0.0182 -0.74 -0.692 -0.8869 3176380 PK04_100191 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J14 compound treatment -0.0057 -0.00502 -0.2 -0.0134 -0.0121 -0.5 -0.4897 -0.9168 3176199 PK04_100192 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J15 compound treatment -0.0307 -0.0301 -1.17 -0.0134 -0.0121 -0.5 -1.1796 -0.9272 3176623 PK04_100193 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J16 compound treatment -0.0237 -0.0231 -0.9 -0.0184 -0.0171 -0.7 -1.1316 -0.9926 3176632 PK04_100194 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J17 compound treatment -0.0127 -0.012 -0.47 0.0076 0.00887 0.36 -0.0741 -0.1249 3052795 PK04_100195 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J18 compound treatment -0.0417 -0.0411 -1.6 -0.0244 -0.0231 -0.95 -1.8017 -0.9688 3052636 PK04_100196 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J19 compound treatment 0.0032 0.0039 0.15 -0.0034 -0.00213 -0.09 0.0458 0.2611 3052591 PK04_100197 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J20 compound treatment 0.0012 0.0019 0.07 0.0056 0.00687 0.28 0.2515 0.8639 3176629 PK04_100198 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J21 mock treatment 0.0052 0.0059 0.23 0.0026 0.00387 0.16 0.2747 0.9835 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J22 mock treatment -0.0177 -0.0171 -0.66 0.0016 0.00287 0.12 -0.3868 -0.5731 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J23 compound treatment -0.0397 -0.0391 -1.52 -0.0284 -0.0272 -1.11 -1.8628 -0.9882 3176776 PK04_100199 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 J24 compound treatment -0.5478 -0.547 -21.32 -0.5485 -0.547 -22.43 -30.9316 -0.9997 3052544 PK04_100200 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K01 compound treatment -0.0127 -0.0121 -0.47 -4.0E-4 8.4E-4 0.03 -0.3078 -0.6536 3176739 PK04_100201 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K02 compound treatment -0.0247 -0.0241 -0.94 -0.0184 -0.0172 -0.7 -1.1597 -0.9899 3176042 PK04_100202 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K03 compound treatment -0.0167 -0.0161 -0.63 -0.0014 -1.3E-4 -0.01 -0.4461 -0.7131 3052528 PK04_100203 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K04 compound treatment -0.0138 -0.0131 -0.51 -0.0154 -0.0141 -0.58 -0.7703 -0.998 3176564 PK04_100204 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K05 compound treatment 0.0023 0.00294 0.11 -0.0034 -0.00213 -0.09 0.0193 0.1341 3176329 PK04_100205 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K06 compound treatment -0.0237 -0.0231 -0.9 -0.0214 -0.0201 -0.83 -1.219 -0.9991 3052588 PK04_100206 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K07 mock treatment 0.0083 0.00894 0.35 -0.0264 -0.0252 -1.03 -0.4824 -0.4434 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K08 mock treatment 2.0E-4 9.03E-4 0.04 -0.0104 -0.00915 -0.37 -0.2403 -0.638 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K09 compound treatment -0.0387 -0.038 -1.48 -0.0504 -0.0492 -2.01 -2.4719 -0.9886 3176733 PK04_100207 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K10 compound treatment -0.5448 -0.544 -21.2 -0.5455 -0.544 -22.3 -30.7622 -0.9997 3052589 PK04_100208 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K11 compound treatment 0.0063 0.00698 0.27 -0.0034 -0.00213 -0.09 0.1306 0.4572 3052651 PK04_100209 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K12 compound treatment -0.5518 -0.551 -21.47 -0.5565 -0.555 -22.75 -31.2737 -0.9996 3176507 PK04_100210 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K13 compound treatment -0.0387 -0.0381 -1.48 -0.0494 -0.0482 -1.97 -2.4441 -0.9901 3052706 PK04_100211 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K14 compound treatment -0.0128 -0.0121 -0.47 -0.0044 -0.00313 -0.13 -0.424 -0.868 3175959 PK04_100212 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K15 mock treatment 0.0032 0.0039 0.15 0.0076 0.00887 0.36 0.3645 0.9252 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K16 mock treatment 0.0053 0.00594 0.23 -0.0034 -0.00213 -0.09 0.1019 0.4116 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K17 compound treatment -0.0168 -0.0161 -0.63 -0.0194 -0.0182 -0.74 -0.9694 -0.9964 3174817 PK04_100213 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K18 compound treatment -0.0367 -0.036 -1.4 -0.0064 -0.00514 -0.21 -1.1412 -0.8042 3176725 PK04_100214 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K19 compound treatment -0.0267 -0.0261 -1.02 -0.0174 -0.0162 -0.66 -1.1859 -0.9785 3052537 PK04_100215 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K20 compound treatment -0.0227 -0.0221 -0.86 -0.0304 -0.0292 -1.19 -1.4524 -0.9869 3052596 PK04_100216 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K21 compound treatment -0.0397 -0.039 -1.52 -0.0324 -0.0312 -1.28 -1.9779 -0.9962 3176049 PK04_100217 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K22 compound treatment 0.0063 0.00694 0.27 0.0016 0.00287 0.12 0.2744 0.9304 3052637 PK04_100218 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K23 mock treatment -0.0067 -0.00606 -0.24 -0.0074 -0.00615 -0.25 -0.3451 -0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 K24 mock treatment -8.0E-4 -9.74E-5 0.0 -0.0164 -0.0152 -0.62 -0.4417 -0.7114 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L01 compound treatment 0.0052 0.0059 0.23 -0.0034 -0.00213 -0.09 0.1009 0.4101 3052595 PK04_100219 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L02 compound treatment 0.0082 0.0089 0.35 -0.0044 -0.00313 -0.13 0.1544 0.4175 3176046 PK04_100220 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L03 compound treatment 0.0193 0.0199 0.78 0.0206 0.0219 0.9 1.1828 0.9975 3052585 PK04_100221 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L04 compound treatment -0.0048 -0.0041 -0.16 -0.0064 -0.00513 -0.21 -0.2617 -0.9907 3176734 PK04_100222 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L05 compound treatment -0.0227 -0.0221 -0.86 -0.0254 -0.0241 -0.99 -1.3072 -0.9975 3176688 PK04_100223 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L06 compound treatment -0.0028 -0.0021 -0.08 0.0166 0.0178 0.73 0.4594 0.6242 3176372 PK04_100224 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L07 mock treatment -0.0058 -0.0051 -0.2 -0.0044 -0.00313 -0.13 -0.2311 -0.9776 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L08 mock treatment -0.0077 -0.00706 -0.27 0.0016 0.00287 0.12 -0.1113 -0.3721 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L09 compound treatment 0.0183 0.0189 0.74 0.0226 0.0238 0.98 1.2127 0.9904 3176559 PK04_100225 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L10 compound treatment 0.0133 0.0139 0.54 -0.0154 -0.0142 -0.58 -0.0259 -0.0326 3052527 PK04_100226 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L11 compound treatment 0.0113 0.0119 0.47 0.0026 0.00387 0.16 0.4411 0.8974 3176432 PK04_100227 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L12 compound treatment -0.0157 -0.0151 -0.59 -0.0284 -0.0272 -1.11 -1.2019 -0.9552 3176326 PK04_100228 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L13 compound treatment -0.1968 -0.196 -7.64 -0.2165 -0.215 -8.82 -11.6407 -0.9974 3176737 PK04_100229 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L14 compound treatment 0.0113 0.0119 0.47 0.0016 0.00287 0.12 0.4122 0.8588 3175964 PK04_100230 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L15 mock treatment 0.0032 0.0039 0.15 0.0106 0.0118 0.49 0.4509 0.8862 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L16 mock treatment 0.0093 0.00994 0.39 0.0046 0.00587 0.24 0.444 0.9737 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L17 compound treatment 0.0293 0.0299 1.17 0.0156 0.0168 0.69 1.3132 0.9687 3176787 PK04_100231 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L18 compound treatment 0.0012 0.0019 0.07 0.0196 0.0208 0.85 0.6566 0.7656 3175960 PK04_100232 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L19 compound treatment 0.0023 0.00294 0.11 -0.0084 -0.00714 -0.29 -0.1258 -0.4004 3176273 PK04_100233 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L20 compound treatment 0.0052 0.0059 0.23 0.0076 0.00885 0.36 0.4191 0.9758 3052882 PK04_100234 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L21 compound treatment 0.0253 0.0259 1.01 0.0046 0.00584 0.24 0.8839 0.851 3176053 PK04_100235 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L22 compound treatment -0.5328 -0.532 -20.73 -0.5425 -0.541 -22.18 -30.344 -0.9994 3052696 PK04_100236 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L23 mock treatment 0.0123 0.0129 0.5 0.0136 0.0148 0.61 0.7868 0.9956 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 L24 mock treatment 0.0213 0.0219 0.85 0.0186 0.0198 0.81 1.1797 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M01 compound treatment 0.0073 0.00798 0.31 0.0136 0.0148 0.61 0.6499 0.9515 3176052 PK04_100237 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M02 compound treatment -0.0217 -0.0211 -0.82 -0.0024 -0.00116 -0.05 -0.6137 -0.7468 3176323 PK04_100238 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M03 compound treatment 0.0033 0.00398 0.16 -0.0064 -0.00514 -0.21 -0.0392 -0.15 3176206 PK04_100239 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M04 compound treatment -0.0177 -0.017 -0.66 -0.0124 -0.0112 -0.46 -0.7922 -0.9836 3052883 PK04_100240 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M05 compound treatment -0.0017 -0.00106 -0.04 0.0056 0.00685 0.28 0.1694 0.5969 3052744 PK04_100241 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M06 compound treatment 0.0043 0.00498 0.19 6.0E-4 0.00184 0.08 0.1906 0.9151 3176505 PK04_100242 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M07 compound treatment 0.0043 0.00498 0.19 0.0016 0.00284 0.12 0.2196 0.97 3176434 PK04_100243 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M08 compound treatment -0.0078 -0.0071 -0.28 -0.0074 -0.00614 -0.25 -0.3735 -0.9989 3176729 PK04_100244 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M09 mock treatment 0.0083 0.00894 0.35 0.0046 0.00585 0.24 0.4159 0.9833 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M10 mock treatment -0.0187 -0.0181 -0.7 -0.0074 -0.00615 -0.25 -0.6756 -0.9042 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M11 compound treatment -0.0727 -0.0721 -2.81 -0.0614 -0.0602 -2.47 -3.7285 -0.9979 3052590 PK04_100245 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M12 compound treatment -0.5468 -0.546 -21.28 -0.5475 -0.546 -22.39 -30.8757 -0.9997 3176565 PK04_100246 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M13 mock treatment 2.0E-4 9.03E-4 0.04 6.0E-4 0.00187 0.08 0.079 0.9376 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M14 mock treatment 0.0183 0.0189 0.74 0.0096 0.0108 0.44 0.8363 0.9706 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M15 compound treatment -0.0367 -0.0361 -1.4 -0.0264 -0.0251 -1.03 -1.7219 -0.9884 3176508 PK04_100247 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M16 compound treatment -0.0217 -0.0211 -0.82 0.0036 0.00487 0.2 -0.439 -0.5199 3052587 PK04_100248 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M17 compound treatment 0.0263 0.0269 1.05 0.0066 0.00787 0.32 0.9703 0.8836 3052643 PK04_100249 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M18 compound treatment -7.0E-4 -1.74E-5 0.0 6.0E-4 0.00184 0.08 0.0528 0.7007 3176777 PK04_100250 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M19 compound treatment -0.0467 -0.046 -1.79 -0.0464 -0.0452 -1.85 -2.5764 -0.9999 3052583 PK04_100251 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M20 compound treatment 0.0083 0.00894 0.35 -0.0034 -0.00213 -0.09 0.1846 0.514 3052586 PK04_100252 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M21 compound treatment -0.0037 -0.00306 -0.12 -0.0024 -0.00113 -0.05 -0.117 -0.9153 3052593 PK04_100253 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M22 compound treatment 0.0233 0.0239 0.93 0.0136 0.0149 0.61 1.0905 0.9787 3176374 PK04_100254 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M23 compound treatment -0.0018 -0.0011 -0.04 0.0096 0.0108 0.44 0.2842 0.6362 3052699 PK04_100255 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 M24 compound treatment -0.0048 -0.0041 -0.16 -0.0174 -0.0162 -0.66 -0.5809 -0.8532 3176628 PK04_100256 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N01 compound treatment -0.0028 -0.0021 -0.08 -0.0204 -0.0192 -0.78 -0.6127 -0.7765 3052530 PK04_100257 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N02 compound treatment -0.0267 -0.0261 -1.02 -0.0254 -0.0242 -0.99 -1.4177 -0.9999 3176510 PK04_100258 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N03 compound treatment -0.0197 -0.0191 -0.74 0.0046 0.00587 0.24 -0.3549 -0.4548 3052646 PK04_100259 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N04 compound treatment -0.0137 -0.0131 -0.51 -0.0104 -0.00915 -0.37 -0.6249 -0.9887 3176040 PK04_100260 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N05 compound treatment -0.0038 -0.0031 -0.12 -0.0114 -0.0101 -0.42 -0.3793 -0.8762 3052838 PK04_100261 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N06 compound treatment 0.0032 0.0039 0.15 -0.0124 -0.0112 -0.46 -0.2156 -0.4477 3176263 PK04_100262 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N07 compound treatment -0.0117 -0.0111 -0.43 -0.0244 -0.0232 -0.95 -0.9755 -0.9362 3176511 PK04_100263 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N08 compound treatment -0.0028 -0.0021 -0.08 -0.0364 -0.0352 -1.44 -1.0763 -0.746 3052644 PK04_100264 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N09 mock treatment -0.0237 -0.0231 -0.9 -0.0344 -0.0332 -1.36 -1.5958 -0.9798 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N10 mock treatment 0.0042 0.00491 0.19 -0.0064 -0.00513 -0.21 -0.0136 -0.0477 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N11 compound treatment -0.0267 -0.0261 -1.02 -0.0224 -0.0212 -0.87 -1.3308 -0.9969 3052880 PK04_100265 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N12 compound treatment -0.0217 -0.0211 -0.82 -0.0404 -0.0392 -1.6 -1.7149 -0.9515 3176732 PK04_100266 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N13 mock treatment -0.0107 -0.0101 -0.39 6.0E-4 0.00187 0.08 -0.2228 -0.5582 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N14 mock treatment -0.0058 -0.0051 -0.2 -4.0E-4 8.65E-4 0.04 -0.1154 -0.5719 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N15 compound treatment 3.0E-4 9.83E-4 0.04 -0.0284 -0.0272 -1.11 -0.7597 -0.6824 3052703 PK04_100267 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N16 compound treatment -0.0187 -0.0181 -0.7 -0.0094 -0.00814 -0.33 -0.7334 -0.9419 3176120 PK04_100268 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N17 compound treatment -0.0237 -0.0231 -0.9 -0.0234 -0.0222 -0.91 -1.2771 -1.0 3052843 PK04_100269 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N18 compound treatment -0.0028 -0.0021 -0.08 -0.0044 -0.00313 -0.13 -0.1485 -0.9763 3176116 PK04_100270 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N19 compound treatment -0.0097 -0.00906 -0.35 -0.0194 -0.0182 -0.74 -0.7755 -0.9419 3176319 PK04_100271 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N20 compound treatment 0.0062 0.00691 0.27 -0.0074 -0.00613 -0.25 0.0126 0.0342 3052797 PK04_100272 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N21 compound treatment 0.0023 0.00294 0.11 0.0106 0.0118 0.49 0.4242 0.8508 3052581 PK04_100273 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N22 compound treatment -0.4368 -0.436 -16.99 -0.4455 -0.444 -18.21 -24.8889 -0.9994 3176118 PK04_100274 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N23 compound treatment -0.0158 -0.0151 -0.59 -0.0014 -1.34E-4 -0.01 -0.4198 -0.7137 3176207 PK04_100275 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 N24 compound treatment -0.4798 -0.479 -18.67 -0.5045 -0.503 -20.62 -27.7827 -0.9988 3176266 PK04_100276 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O01 compound treatment 0.0063 0.00694 0.27 6.0E-4 0.00187 0.08 0.2454 0.873 3176687 PK04_100277 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O02 compound treatment -0.0377 -0.0371 -1.44 -0.0394 -0.0381 -1.56 -2.1261 -0.9992 3176323 PK04_100278 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O03 compound treatment -0.0088 -0.0081 -0.32 0.0046 0.00585 0.24 -0.0536 -0.1352 3176438 PK04_100279 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O04 compound treatment -7.0E-4 -1.74E-5 0.0 -0.0034 -0.00216 -0.09 -0.0631 -0.7125 3176117 PK04_100280 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O05 compound treatment -0.0127 -0.0121 -0.47 -4.0E-4 8.4E-4 0.03 -0.3079 -0.6536 3176384 PK04_100281 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O06 compound treatment -0.0487 -0.048 -1.87 -0.0484 -0.0472 -1.93 -2.6895 -0.9999 3052695 PK04_100282 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O07 compound treatment 0.0063 0.00698 0.27 -0.0054 -0.00414 -0.17 0.0724 0.2258 3052929 PK04_100283 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O08 compound treatment -0.0207 -0.0201 -0.78 -0.0054 -0.00416 -0.17 -0.6731 -0.8416 3052798 PK04_100284 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O09 compound treatment 0.0023 0.00298 0.12 -4.0E-4 8.4E-4 0.03 0.1065 0.8788 3176509 PK04_100285 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O10 compound treatment -0.5118 -0.511 -19.91 -0.5215 -0.52 -21.32 -29.1564 -0.9994 3176681 PK04_100286 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O11 mock treatment -0.0038 -0.0031 -0.12 -0.0014 -1.3E-4 -0.01 -0.0891 -0.7377 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O12 mock treatment -0.0128 -0.0121 -0.47 -0.0014 -1.3E-4 -0.01 -0.3371 -0.7151 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O13 compound treatment 0.0113 0.012 0.47 6.0E-4 0.00184 0.08 0.3834 0.8108 3176682 PK04_100287 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O14 compound treatment -0.0017 -0.00102 -0.04 -0.0094 -0.00813 -0.33 -0.2636 -0.7857 3176320 PK04_100288 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O15 compound treatment -7.0E-4 -1.74E-5 0.0 0.0196 0.0208 0.85 0.6034 0.7065 3176268 PK04_100289 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O16 compound treatment 0.0123 0.0129 0.5 -0.0104 -0.00913 -0.37 0.092 0.1464 3176373 PK04_100290 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O17 compound treatment 0.0063 0.00698 0.27 -0.0024 -0.00113 -0.05 0.1596 0.5784 3052700 PK04_100291 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O18 compound treatment -0.0128 -0.0121 -0.47 -0.0024 -0.00114 -0.05 -0.3663 -0.7734 3176275 PK04_100292 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O19 compound treatment -0.0048 -0.0041 -0.16 -0.0114 -0.0101 -0.42 -0.4064 -0.9138 3052887 PK04_100293 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O20 compound treatment -0.0177 -0.0171 -0.66 -0.0284 -0.0272 -1.11 -1.257 -0.9696 3176039 PK04_100294 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O21 compound treatment -0.0167 -0.0161 -0.63 -0.0064 -0.00516 -0.21 -0.5919 -0.8963 3176637 PK04_100295 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O22 compound treatment 0.0103 0.0109 0.43 0.0146 0.0158 0.65 0.7607 0.9792 3176115 PK04_100296 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O23 compound treatment -0.0028 -0.0021 -0.08 0.0136 0.0148 0.61 0.3725 0.6067 3052755 PK04_100297 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 O24 compound treatment -0.0217 -0.0211 -0.82 -0.0144 -0.0131 -0.54 -0.9606 -0.9791 3176443 PK04_100298 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P01 compound treatment -0.0847 -0.084 -3.27 -0.0624 -0.0612 -2.51 -4.0867 -0.9913 3052698 PK04_100299 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P02 compound treatment -8.0E-4 -9.74E-5 0.0 -0.0124 -0.0111 -0.46 -0.3255 -0.713 3176634 PK04_100300 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P03 compound treatment -0.0018 -0.0011 -0.04 -0.0204 -0.0192 -0.78 -0.5852 -0.7445 3174820 PK04_100301 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P04 compound treatment -0.0167 -0.0161 -0.63 -0.0194 -0.0182 -0.74 -0.9683 -0.9963 3052597 PK04_100302 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P05 compound treatment -0.0207 -0.0201 -0.78 -0.0144 -0.0131 -0.54 -0.9333 -0.9835 3176270 PK04_100303 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P06 compound treatment -0.0227 -0.0221 -0.86 -0.0064 -0.00515 -0.21 -0.7569 -0.8554 3176677 PK04_100304 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P07 compound treatment -0.0267 -0.026 -1.01 -0.0384 -0.0372 -1.52 -1.7936 -0.9804 3176122 PK04_100305 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P08 compound treatment -0.0427 -0.0421 -1.64 -0.0614 -0.0602 -2.47 -2.902 -0.9803 3052701 PK04_100306 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P09 compound treatment -0.0267 -0.0261 -1.02 -0.0234 -0.0222 -0.91 -1.3597 -0.9984 3175972 PK04_100307 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P10 compound treatment -0.0337 -0.0331 -1.29 -0.0284 -0.0272 -1.11 -1.6975 -0.9973 3052830 PK04_100308 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P11 mock treatment -0.0387 -0.0381 -1.48 -0.0344 -0.0332 -1.36 -2.0091 -0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P12 mock treatment -0.0157 -0.0151 -0.59 -0.0304 -0.0292 -1.19 -1.2595 -0.9464 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P13 compound treatment -0.0377 -0.0371 -1.44 -0.0274 -0.0262 -1.07 -1.7787 -0.9892 3052541 PK04_100309 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P14 compound treatment -0.0177 -0.0171 -0.66 -0.0124 -0.0111 -0.46 -0.7929 -0.9832 3052545 PK04_100310 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P15 compound treatment -0.0118 -0.0111 -0.43 -0.0294 -0.0282 -1.15 -1.1215 -0.9103 3176381 PK04_100311 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P16 compound treatment -0.0277 -0.027 -1.05 -0.0244 -0.0231 -0.95 -1.4149 -0.9986 3052789 PK04_100312 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P17 compound treatment -0.0497 -0.049 -1.91 -0.0334 -0.0322 -1.32 -2.2823 -0.9836 3052890 PK04_100313 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P18 compound treatment -0.0078 -0.0071 -0.28 -0.0394 -0.0382 -1.56 -1.3011 -0.8195 3176779 PK04_100314 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P19 compound treatment -0.0107 -0.0101 -0.39 -0.0194 -0.0182 -0.74 -0.803 -0.9552 3052876 PK04_100315 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P20 compound treatment -0.0048 -0.0041 -0.16 -0.0184 -0.0172 -0.7 -0.6099 -0.8462 3176264 PK04_100316 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P21 compound treatment 0.0022 0.0029 0.11 -0.0184 -0.0172 -0.7 -0.417 -0.5858 3052692 PK04_100317 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P22 compound treatment -0.0407 -0.0401 -1.56 -0.0514 -0.0502 -2.06 -2.5571 -0.9908 3176051 PK04_100318 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P23 compound treatment -0.0018 -0.0011 -0.04 -0.0304 -0.0292 -1.19 -0.8749 -0.7319 3052754 PK04_100319 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2100 P24 compound treatment -0.0487 -0.0481 -1.87 -0.0314 -0.0302 -1.24 -2.1979 -0.9797 3176127 PK04_100320 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A01 compound treatment 4.0E-4 0.00121 0.05 -0.0089 -0.00808 -0.33 -0.2007 -0.6 3189007 PK04_101001 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A02 compound treatment -0.0195 -0.0187 -0.73 -0.0179 -0.0171 -0.7 -1.0103 -0.9998 3069619 PK04_101002 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A03 compound treatment -0.0285 -0.0277 -1.08 -0.0319 -0.0311 -1.27 -1.6658 -0.9966 3189008 PK04_101003 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A04 compound treatment -0.0175 -0.0167 -0.65 -0.0169 -0.0161 -0.66 -0.926 -1.0 3189009 PK04_101004 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A05 compound treatment -0.0285 -0.0277 -1.08 -0.0279 -0.0271 -1.11 -1.5489 -0.9999 3069620 PK04_101005 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A06 compound treatment -0.0215 -0.0207 -0.81 -0.0279 -0.0271 -1.11 -1.357 -0.9878 3189010 PK04_101006 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A07 compound treatment -0.0535 -0.0527 -2.05 -0.0489 -0.0481 -1.97 -2.845 -0.9998 3189011 PK04_101007 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A08 compound treatment -0.0086 -0.00775 -0.3 -0.0119 -0.0111 -0.46 -0.5354 -0.98 3069621 PK04_101008 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A09 compound treatment -5.0E-4 2.65E-4 0.01 -0.0109 -0.0101 -0.41 -0.284 -0.6892 3189120 PK04_101009 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A10 compound treatment -0.0755 -0.0747 -2.91 -0.0659 -0.0651 -2.67 -3.9448 -0.999 3069622 PK04_101010 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A11 compound treatment -6.0E-4 2.15E-4 0.01 -0.0099 -0.00908 -0.37 -0.2573 -0.6911 3189121 PK04_101011 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A12 compound treatment -0.0645 -0.0637 -2.48 -0.0619 -0.0611 -2.5 -3.5259 -1.0 3069678 PK04_101012 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A13 mock treatment -0.0086 -0.00775 -0.3 -0.0129 -0.0121 -0.5 -0.5644 -0.9715 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A14 mock treatment -0.0056 -0.00478 -0.19 -0.0089 -0.00811 -0.33 -0.3668 -0.9625 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A15 compound treatment -0.0036 -0.00278 -0.11 -0.0079 -0.00711 -0.29 -0.2827 -0.9092 3189122 PK04_101013 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A16 compound treatment 0.0104 0.0112 0.44 0.0021 0.00295 0.12 0.3943 0.87 3069679 PK04_101014 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A17 compound treatment -0.0165 -0.0157 -0.61 -0.0189 -0.0181 -0.74 -0.9586 -0.9955 3189123 PK04_101015 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A18 compound treatment -6.0E-4 2.16E-4 0.01 -0.0109 -0.0101 -0.41 -0.2862 -0.6926 3189124 PK04_101016 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A19 compound treatment -0.0036 -0.00279 -0.11 -0.0149 -0.0141 -0.58 -0.4858 -0.8255 3069680 PK04_101017 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A20 compound treatment -0.0115 -0.0107 -0.42 -0.0179 -0.0171 -0.7 -0.7918 -0.9696 3189125 PK04_101018 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A21 compound treatment -0.0185 -0.0177 -0.69 -0.0349 -0.0341 -1.4 -1.4743 -0.9472 3069681 PK04_101019 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A22 compound treatment -0.0026 -0.00178 -0.07 -0.0139 -0.0131 -0.54 -0.429 -0.7918 3189126 PK04_101020 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A23 compound treatment 0.0034 0.00421 0.16 -0.0049 -0.00408 -0.17 -0.0022 -0.0092 3189127 PK04_101021 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 A24 compound treatment -0.0146 -0.0137 -0.54 -0.0289 -0.0281 -1.15 -1.1933 -0.9393 3069682 PK04_101022 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B01 compound treatment -0.0036 -0.00279 -0.11 -0.0049 -0.00408 -0.17 -0.1951 -0.9782 3189128 PK04_101023 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B02 compound treatment -0.0086 -0.00779 -0.3 -0.0119 -0.0111 -0.45 -0.5356 -0.9807 3189129 PK04_101024 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B03 compound treatment 0.0194 0.0203 0.79 0.0201 0.0209 0.86 1.1633 0.9992 3069683 PK04_101025 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B04 compound treatment -0.0056 -0.00479 -0.19 -0.0099 -0.00908 -0.37 -0.395 -0.9489 3189130 PK04_101026 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B05 compound treatment 0.0115 0.0123 0.48 0.0061 0.00692 0.28 0.5382 0.969 3069684 PK04_101027 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B06 compound treatment -0.0066 -0.00579 -0.23 -0.0089 -0.00808 -0.33 -0.3936 -0.9824 3189131 PK04_101028 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5c(Cl)cccc5CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B07 compound treatment -0.0046 -0.00379 -0.15 -0.0059 -0.00508 -0.21 -0.2517 -0.9858 3189132 PK04_101029 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B08 compound treatment 0.0164 0.0173 0.67 0.0171 0.0179 0.73 0.9937 0.9991 3069685 PK04_101030 OCc1cccc(Cl)c1N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B09 compound treatment 0.0124 0.0133 0.52 0.0111 0.0119 0.49 0.7096 0.9996 3189133 PK04_101031 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B10 compound treatment 0.0164 0.0173 0.67 0.0111 0.0119 0.49 0.8198 0.9875 3189129 PK04_101032 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B11 compound treatment 0.0044 0.00521 0.2 0.0031 0.00392 0.16 0.2572 0.9932 3189134 PK04_101033 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B12 compound treatment 0.0135 0.0143 0.56 0.0051 0.00592 0.24 0.5643 0.9309 3069686 PK04_101034 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B13 mock treatment 0.0234 0.0243 0.94 0.0211 0.0219 0.9 1.3025 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B14 mock treatment 0.0074 0.00822 0.32 0.0021 0.00292 0.12 0.311 0.9098 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B15 compound treatment -6.0E-4 2.16E-4 0.01 -0.0059 -0.00508 -0.21 -0.1413 -0.678 3189135 PK04_101035 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B16 compound treatment -0.0195 -0.0187 -0.73 -0.0259 -0.0251 -1.03 -1.2421 -0.986 3069686 PK04_101036 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B17 compound treatment 0.0035 0.0043 0.17 0.0011 0.00192 0.08 0.1742 0.9403 3189136 PK04_101037 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B18 compound treatment 0.0104 0.0113 0.44 0.0061 0.00692 0.28 0.5105 0.9777 3069687 PK04_101038 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5ccc(CCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B19 compound treatment 0.0135 0.0143 0.56 0.0071 0.00792 0.32 0.6221 0.9673 3189137 PK04_101039 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B20 compound treatment 0.0175 0.0183 0.71 0.0091 0.00989 0.41 0.7896 0.9644 3069688 PK04_101040 OCCc1ccc(cc1)N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B21 compound treatment 0.0175 0.0183 0.71 0.0061 0.00692 0.28 0.7047 0.9183 3189138 PK04_101041 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B22 compound treatment -0.0105 -0.00974 -0.38 -0.0269 -0.0261 -1.07 -1.0231 -0.903 3189139 PK04_101042 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B23 compound treatment 0.0044 0.00522 0.2 -0.0049 -0.00408 -0.17 0.0255 0.097 3069689 PK04_101043 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 B24 compound treatment -0.0065 -0.00574 -0.22 -0.0079 -0.00708 -0.29 -0.3632 -0.9917 3189140 PK04_101044 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C01 compound treatment -0.0395 -0.0387 -1.51 -0.0279 -0.0271 -1.11 -1.851 -0.9885 3189247 PK04_101045 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C02 compound treatment -0.0375 -0.0367 -1.43 -0.0449 -0.0441 -1.81 -2.2883 -0.9933 3069724 PK04_101046 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C03 compound treatment -0.0226 -0.0217 -0.85 -0.0179 -0.0171 -0.7 -1.0949 -0.9956 3189248 PK04_101047 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C04 compound treatment -0.0235 -0.0227 -0.89 -0.0189 -0.0181 -0.74 -1.1513 -0.9961 3189249 PK04_101048 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C05 compound treatment -0.0226 -0.0217 -0.85 -0.0229 -0.0221 -0.91 -1.2398 -0.9994 3069725 PK04_101049 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C06 compound treatment -0.0016 -7.8E-4 -0.03 1.0E-4 9.18E-4 0.04 0.0051 0.1054 3189250 PK04_101050 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C07 compound treatment -0.0046 -0.00379 -0.15 -0.0029 -0.00208 -0.09 -0.1647 -0.966 3069726 PK04_101051 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C08 compound treatment 0.0074 0.00822 0.32 0.0061 0.00692 0.28 0.4269 0.9982 3189251 PK04_101052 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C09 compound treatment -0.0016 -7.89E-4 -0.03 -0.0019 -0.00108 -0.04 -0.0531 -0.9841 3189252 PK04_101053 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C10 compound treatment -0.0395 -0.0387 -1.51 -0.0279 -0.0271 -1.11 -1.851 -0.9885 3069727 PK04_101054 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C11 mock treatment 0.0014 0.00221 0.09 -0.0059 -0.00508 -0.21 -0.0863 -0.3826 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C12 mock treatment 0.0074 0.00821 0.32 -0.0019 -0.00108 -0.04 0.195 0.6035 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C13 compound treatment 0.0084 0.00922 0.36 0.0011 0.00192 0.08 0.3096 0.8419 3189253 PK04_101055 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C14 compound treatment -0.0725 -0.0717 -2.79 -0.0569 -0.0561 -2.3 -3.5994 -0.9953 3069728 PK04_101056 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C15 mock treatment -0.0056 -0.00479 -0.19 -0.0049 -0.00408 -0.17 -0.2502 -0.9985 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C16 mock treatment 0.0055 0.00625 0.24 0.0011 0.00192 0.08 0.2279 0.89 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C17 compound treatment 0.0095 0.0103 0.4 -9.0E-4 -8.21E-5 0.0 0.2801 0.7011 3189254 PK04_101057 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C18 compound treatment -0.0185 -0.0177 -0.69 -0.0339 -0.0331 -1.35 -1.4453 -0.9509 3189255 PK04_101058 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C19 compound treatment 0.0095 0.0103 0.4 -0.0039 -0.00308 -0.13 0.1932 0.4611 3069729 PK04_101059 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C20 compound treatment -0.0165 -0.0157 -0.61 -0.0309 -0.0301 -1.23 -1.3043 -0.9481 3189256 PK04_101060 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C21 compound treatment 0.0155 0.0163 0.63 0.0051 0.00589 0.24 0.6184 0.9125 3189257 PK04_101061 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C22 compound treatment -0.0455 -0.0447 -1.74 -0.0559 -0.0551 -2.26 -2.8277 -0.9919 3069730 PK04_101062 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C23 compound treatment -0.0026 -0.00179 -0.07 -0.0139 -0.0131 -0.54 -0.4291 -0.792 3189258 PK04_101063 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 C24 compound treatment 0.0024 0.00321 0.13 -0.0069 -0.00608 -0.25 -0.0877 -0.3144 3069731 PK04_101064 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D01 compound treatment -0.0195 -0.0187 -0.73 -0.0139 -0.0131 -0.54 -0.8952 -0.9885 3189259 PK04_101065 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D02 compound treatment -0.0076 -0.00679 -0.26 -0.0079 -0.00708 -0.29 -0.3922 -0.9989 3069687 PK04_101066 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5ccc(CCO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D03 compound treatment -0.0046 -0.00379 -0.15 -0.0059 -0.00508 -0.21 -0.2516 -0.9857 3189260 PK04_101067 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D04 compound treatment 0.0015 0.0023 0.09 1.0E-4 9.18E-4 0.04 0.0901 0.9254 3069688 PK04_101068 OCCc1ccc(cc1)N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D05 compound treatment 4.0E-4 0.00122 0.05 -0.0049 -0.00408 -0.17 -0.0848 -0.4878 3069732 PK04_101069 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D06 compound treatment -0.0066 -0.00579 -0.23 -0.0129 -0.0121 -0.5 -0.5104 -0.9362 3189139 PK04_101070 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D07 compound treatment -0.0026 -0.00179 -0.07 -0.0129 -0.0121 -0.5 -0.4001 -0.7984 3189261 PK04_101071 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D08 compound treatment 0.0104 0.0113 0.44 0.0091 0.00992 0.41 0.5975 0.9993 3069733 PK04_101072 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D09 compound treatment -0.0066 -0.00575 -0.22 -0.0129 -0.0121 -0.5 -0.5093 -0.9353 3189262 PK04_101073 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D10 compound treatment 0.0024 0.00321 0.13 -0.0039 -0.00311 -0.13 -0.0016 -0.0091 3069733 PK04_101074 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D11 mock treatment 0.0164 0.0173 0.67 0.0141 0.0149 0.61 0.9076 0.9989 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D12 mock treatment 0.0095 0.0103 0.4 0.0091 0.00992 0.41 0.5699 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D13 compound treatment 0.0014 0.00221 0.09 -0.0049 -0.00411 -0.17 -0.0582 -0.3072 3189263 PK04_101075 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D14 compound treatment 0.0255 0.0263 1.02 0.0211 0.0219 0.9 1.3576 0.9979 3069734 PK04_101076 CC(C)(C)N(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D15 mock treatment -0.0015 -7.45E-4 -0.03 -0.0089 -0.00811 -0.33 -0.2556 -0.766 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D16 mock treatment 0.0115 0.0123 0.48 0.0091 0.00992 0.41 0.625 0.9968 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D17 compound treatment 0.0075 0.00825 0.32 0.0101 0.0109 0.45 0.5429 0.9871 3189264 PK04_101077 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D18 compound treatment 0.0054 0.00621 0.24 0.0021 0.00292 0.12 0.2558 0.9471 3069734 PK04_101078 CC(C)(C)N(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D19 compound treatment -0.0036 -0.00279 -0.11 -0.0089 -0.00808 -0.33 -0.311 -0.8923 3069735 PK04_101079 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D20 compound treatment -0.0056 -0.00479 -0.19 -0.0139 -0.0131 -0.54 -0.5109 -0.9001 3189265 PK04_101080 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCOCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D21 compound treatment 0.0104 0.0113 0.44 0.0021 0.00292 0.12 0.3946 0.8682 3189266 PK04_101081 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D22 compound treatment -0.0945 -0.0937 -3.65 -0.0679 -0.0671 -2.75 -4.5255 -0.9902 3189265 PK04_101082 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCOCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D23 compound treatment 0.0135 0.0143 0.56 0.0051 0.00592 0.24 0.5644 0.931 3069736 PK04_101083 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 D24 compound treatment -0.0785 -0.0777 -3.03 -0.0479 -0.0471 -1.93 -3.5048 -0.9763 3189267 PK04_101084 OCCOCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E01 mock treatment 0.0034 0.00421 0.16 0.0071 0.00792 0.32 0.3456 0.9502 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E02 mock treatment 0.0034 0.00421 0.16 0.0041 0.00492 0.2 0.2586 0.9948 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E03 compound treatment -0.0036 -0.00279 -0.11 0.0041 0.00492 0.2 0.0658 0.2873 3189373 PK04_101085 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E04 compound treatment -0.0086 -0.00779 -0.3 -0.0069 -0.00608 -0.25 -0.3907 -0.9952 3189374 PK04_101086 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E05 compound treatment 0.0014 0.00225 0.09 0.0041 0.00489 0.2 0.2038 0.9316 3069761 PK04_101087 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E06 compound treatment -0.1124 -0.112 -4.35 -0.0669 -0.0661 -2.71 -4.9893 -0.974 3189375 PK04_101088 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E07 compound treatment -0.0015 -7.35E-4 -0.03 0.0081 0.00889 0.36 0.2373 0.6495 3189376 PK04_101089 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E08 compound treatment -0.0475 -0.0467 -1.82 -0.0399 -0.0391 -1.6 -2.42 -0.998 3069762 PK04_101090 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E09 mock treatment 0.0095 0.0103 0.4 0.0041 0.00492 0.2 0.425 0.9498 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E10 mock treatment 0.0265 0.0273 1.06 0.0211 0.0219 0.9 1.3852 0.9965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E11 compound treatment -0.0035 -0.0027 -0.11 -0.0059 -0.00505 -0.21 -0.2207 -0.9505 3189377 PK04_101091 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E12 compound treatment -0.1484 -0.148 -5.75 -0.1353 -0.134 -5.51 -7.9634 -0.9998 3069763 PK04_101092 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E13 compound treatment 0.0155 0.0163 0.63 0.0061 0.00692 0.28 0.6483 0.9343 3189378 PK04_101093 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E14 compound treatment -0.0215 -0.0207 -0.81 -0.0179 -0.0171 -0.7 -1.0651 -0.9975 3189379 PK04_101094 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E15 compound treatment 0.0105 0.0113 0.44 0.0021 0.00292 0.12 0.3947 0.8682 3069764 PK04_101095 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E16 compound treatment -0.0834 -0.0826 -3.22 -0.0983 -0.0975 -3.99 -5.1003 -0.9942 3189380 PK04_101096 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E17 mock treatment 0.0245 0.0253 0.99 0.0201 0.0209 0.86 1.3024 0.9975 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E18 mock treatment 0.0234 0.0243 0.94 0.0181 0.0189 0.77 1.2155 0.9951 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E19 compound treatment 0.0215 0.0223 0.87 0.0111 0.0119 0.49 0.9577 0.9628 3069765 PK04_101097 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E20 compound treatment -0.0165 -0.0157 -0.61 -0.0259 -0.0251 -1.03 -1.1592 -0.9692 3189381 PK04_101098 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E21 compound treatment 0.0235 0.0243 0.95 0.0151 0.0159 0.65 1.1288 0.9835 3189382 PK04_101099 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E22 compound treatment 0.0045 0.00525 0.2 -0.0019 -0.00108 -0.04 0.1134 0.5414 3069730 PK04_101100 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E23 compound treatment 0.0155 0.0163 0.63 0.0101 0.0109 0.45 0.7642 0.9855 3069766 PK04_101101 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 E24 compound treatment 0.0314 0.0323 1.26 0.0201 0.0209 0.86 1.4939 0.9825 3069731 PK04_101102 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F01 mock treatment -0.0056 -0.00479 -0.19 -0.0019 -0.00108 -0.04 -0.1632 -0.8515 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F02 mock treatment -0.0255 -0.0247 -0.96 -0.0229 -0.0221 -0.91 -1.3211 -0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F03 compound treatment 0.0034 0.00422 0.16 0.0061 0.00692 0.28 0.3167 0.9664 3189383 PK04_101103 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F04 compound treatment -0.0095 -0.0087 -0.34 -0.0149 -0.0141 -0.58 -0.6476 -0.9678 3189267 PK04_101104 OCCOCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F05 compound treatment 4.0E-4 0.00122 0.05 -0.0039 -0.00308 -0.13 -0.0558 -0.4137 3189384 PK04_101105 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F06 compound treatment 0.0065 0.00725 0.28 0.0081 0.00889 0.36 0.4574 0.9921 3069767 PK04_101106 CCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F07 compound treatment -0.0135 -0.0127 -0.5 -0.0079 -0.00705 -0.29 -0.5553 -0.9669 3189385 PK04_101107 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F08 compound treatment 0.0115 0.0123 0.48 0.0171 0.0179 0.73 0.856 0.9784 3069767 PK04_101108 CCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F09 mock treatment 0.0185 0.0193 0.75 0.0201 0.0209 0.86 1.1357 0.9978 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F10 mock treatment 0.0155 0.0163 0.63 0.0091 0.00992 0.41 0.7353 0.977 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F11 compound treatment 0.0044 0.00522 0.2 0.0011 0.00192 0.08 0.1994 0.9145 3069768 PK04_101109 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F12 compound treatment -0.0026 -0.00178 -0.07 -0.0029 -0.00208 -0.09 -0.1094 -0.9947 3189386 PK04_101110 CCCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F13 compound treatment 0.0155 0.0163 0.63 0.0071 0.00789 0.32 0.6764 0.9513 3189387 PK04_101111 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F14 compound treatment 0.0234 0.0243 0.94 0.0241 0.0249 1.02 1.3894 0.9993 3189386 PK04_101112 CCCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F15 compound treatment 0.0285 0.0293 1.14 0.0211 0.0219 0.9 1.4402 0.993 3069769 PK04_101113 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F16 compound treatment 0.0225 0.0233 0.91 0.0221 0.0229 0.94 1.3039 0.9998 3189388 PK04_101114 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F17 mock treatment 0.0115 0.0123 0.48 0.0091 0.00989 0.41 0.6243 0.9967 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F18 mock treatment 0.0265 0.0273 1.06 0.0221 0.0229 0.94 1.4141 0.9981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F19 compound treatment 0.0094 0.0102 0.4 0.0041 0.00492 0.2 0.4239 0.9503 3189389 PK04_101115 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F20 compound treatment -0.0045 -0.0037 -0.14 -0.0079 -0.00708 -0.29 -0.307 -0.9477 3189388 PK04_101116 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F21 compound treatment 0.0175 0.0183 0.71 0.0131 0.0139 0.57 0.9055 0.9939 3069770 PK04_101117 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F22 compound treatment -0.0475 -0.0467 -1.82 -0.0299 -0.0291 -1.19 -2.1292 -0.979 3189390 PK04_101118 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)C(C)(C)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F23 compound treatment -0.0086 -0.00775 -0.3 -0.0109 -0.0101 -0.41 -0.5064 -0.9879 3189391 PK04_101119 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 F24 compound treatment 0.0055 0.0063 0.25 1.0E-4 9.18E-4 0.04 0.2003 0.806 3189390 PK04_101120 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)C(C)(C)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G01 compound treatment -0.0226 -0.0217 -0.85 -0.0169 -0.0161 -0.66 -1.0659 -0.9924 3189392 PK04_101121 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G02 compound treatment -0.0385 -0.0377 -1.47 -0.0329 -0.0321 -1.31 -1.9684 -0.9984 3189374 PK04_101122 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G03 mock treatment -0.0156 -0.0147 -0.57 -0.0119 -0.0111 -0.46 -0.7282 -0.9934 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G04 mock treatment -0.0105 -0.00974 -0.38 -0.0029 -0.00208 -0.09 -0.3287 -0.845 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G05 compound treatment -0.0076 -0.00679 -0.26 -0.0019 -0.00108 -0.04 -0.2183 -0.8143 3069794 PK04_101123 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G06 compound treatment -0.0086 -0.00779 -0.3 -0.0099 -0.00908 -0.37 -0.4777 -0.9948 3189375 PK04_101124 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G07 compound treatment -0.0075 -0.00674 -0.26 -0.0109 -0.0101 -0.41 -0.4777 -0.976 3189393 PK04_101125 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G08 compound treatment -0.0165 -0.0157 -0.61 -0.0119 -0.0111 -0.45 -0.7549 -0.9891 3069762 PK04_101126 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G09 compound treatment 0.0014 0.00222 0.09 0.0071 0.00789 0.32 0.2896 0.8656 3069795 PK04_101127 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G10 compound treatment -0.0645 -0.0637 -2.48 -0.0459 -0.0451 -1.85 -3.0611 -0.9894 3069763 PK04_101128 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G11 compound treatment -0.0285 -0.0277 -1.08 -0.0259 -0.0251 -1.03 -1.4898 -0.9997 3189504 PK04_101129 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G12 compound treatment -0.0445 -0.0437 -1.7 -0.0309 -0.0301 -1.23 -2.0755 -0.9874 3189379 PK04_101130 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G13 compound treatment -0.0136 -0.0128 -0.5 -0.0259 -0.0251 -1.03 -1.0799 -0.9445 3069796 PK04_101131 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G14 compound treatment -0.0046 -0.00379 -0.15 -0.0069 -0.00608 -0.25 -0.2806 -0.9688 3189380 PK04_101132 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G15 compound treatment 0.0014 0.00221 0.09 -0.0049 -0.00405 -0.17 -0.0564 -0.3014 3189505 PK04_101133 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G16 compound treatment -0.0186 -0.0177 -0.69 -0.0229 -0.0221 -0.91 -1.1296 -0.9911 3189381 PK04_101134 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G17 compound treatment 0.0014 0.00221 0.09 -0.0029 -0.00208 -0.09 7.0E-4 0.0056 3189506 PK04_101135 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G18 compound treatment 4.0E-4 0.00122 0.05 -0.0039 -0.00308 -0.13 -0.0558 -0.4138 3069797 PK04_101136 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G19 mock treatment -0.0155 -0.0147 -0.57 -0.0119 -0.0111 -0.45 -0.7272 -0.9932 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G20 mock treatment -0.0046 -0.00379 -0.15 -0.0039 -0.00308 -0.13 -0.1937 -0.997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G21 compound treatment -0.0116 -0.0107 -0.42 -0.0129 -0.0121 -0.5 -0.647 -0.9964 3189507 PK04_101137 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G22 compound treatment -0.0076 -0.00678 -0.26 -0.0109 -0.0101 -0.41 -0.479 -0.9766 3189508 PK04_101138 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G23 compound treatment -0.0066 -0.00575 -0.22 -0.0089 -0.00811 -0.33 -0.3934 -0.9815 3069798 PK04_101139 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 G24 compound treatment -0.0126 -0.0117 -0.46 -0.0189 -0.0181 -0.74 -0.8484 -0.973 3189509 PK04_101140 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H01 compound treatment -0.0275 -0.0267 -1.04 -0.0229 -0.0221 -0.9 -1.3745 -0.9975 3069799 PK04_101141 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H02 compound treatment 0.0034 0.00421 0.16 0.0061 0.00689 0.28 0.3157 0.9668 3189510 PK04_101142 CC(C)(CO)N1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H03 mock treatment -0.0146 -0.0137 -0.54 -0.0109 -0.0101 -0.41 -0.6717 -0.992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H04 mock treatment -0.0036 -0.00279 -0.11 -0.0049 -0.00408 -0.17 -0.195 -0.9781 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H05 compound treatment -0.0036 -0.00279 -0.11 1.0E-4 9.18E-4 0.04 -0.0502 -0.4369 3189511 PK04_101143 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H06 compound treatment -0.0265 -0.0257 -1.0 -0.0269 -0.0261 -1.07 -1.4639 -0.9995 3069800 PK04_101144 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H07 compound treatment 0.0015 0.0023 0.09 0.0011 0.00192 0.08 0.1191 0.9978 3189512 PK04_101145 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H08 compound treatment -6.0E-4 2.2E-4 0.01 1.0E-4 9.18E-4 0.04 0.0326 0.8463 3069800 PK04_101146 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H09 compound treatment -0.0435 -0.0427 -1.66 -0.0319 -0.0311 -1.27 -2.0761 -0.9913 3189513 PK04_101147 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H10 compound treatment 0.0225 0.0233 0.91 0.0201 0.0209 0.86 1.2459 0.9996 3189510 PK04_101148 CC(C)(CO)N1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H11 compound treatment -0.0016 -7.85E-4 -0.03 -0.0019 -0.00108 -0.04 -0.053 -0.9837 3069801 PK04_101149 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H12 compound treatment -0.0095 -0.00875 -0.34 -0.0079 -0.00708 -0.29 -0.4461 -0.9968 3189514 PK04_101150 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H13 compound treatment -0.0136 -0.0127 -0.5 -0.0169 -0.0161 -0.66 -0.818 -0.9901 3189515 PK04_101151 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H14 compound treatment 0.0064 0.00721 0.28 0.0081 0.00892 0.37 0.4572 0.9916 3189514 PK04_101152 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H15 compound treatment 4.0E-4 0.00121 0.05 -0.0019 -0.00108 -0.04 0.0021 0.0324 3069802 PK04_101153 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H16 compound treatment -0.0095 -0.00874 -0.34 -0.0129 -0.0121 -0.49 -0.59 -0.9835 3189516 PK04_101154 CC(C)(C)N(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H17 compound treatment -0.0066 -0.00579 -0.23 -0.0099 -0.00908 -0.37 -0.4226 -0.9711 3189517 PK04_101155 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H18 compound treatment -0.0095 -0.00875 -0.34 -0.0169 -0.0161 -0.66 -0.7078 -0.9526 3189516 PK04_101156 CC(C)(C)N(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H19 mock treatment -0.0046 -0.00379 -0.15 -0.0089 -0.00811 -0.33 -0.3394 -0.9331 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H20 mock treatment -0.0086 -0.00778 -0.3 -0.0099 -0.00908 -0.37 -0.4775 -0.9948 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H21 compound treatment -0.0056 -0.00475 -0.18 -0.0059 -0.00511 -0.21 -0.2789 -0.9981 3069803 PK04_101157 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H22 compound treatment -0.0425 -0.0417 -1.63 -0.0469 -0.0461 -1.89 -2.4843 -0.9972 3189518 PK04_101158 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCCCCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H23 compound treatment 0.0124 0.0132 0.51 0.0081 0.00892 0.37 0.6225 0.9859 3069804 PK04_101159 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 H24 compound treatment -0.0295 -0.0287 -1.12 -0.0349 -0.0341 -1.4 -1.7782 -0.9939 3189518 PK04_101160 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCCCCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I01 compound treatment -0.0116 -0.0108 -0.42 -0.0049 -0.00408 -0.17 -0.4154 -0.9185 3189519 PK04_101161 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I02 compound treatment -0.0395 -0.0387 -1.51 -0.0359 -0.0351 -1.44 -2.0818 -0.9997 3189520 PK04_101162 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I03 compound treatment -0.0225 -0.0217 -0.85 -0.0189 -0.0181 -0.74 -1.1217 -0.9978 3069839 PK04_101163 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I04 compound treatment -0.0236 -0.0227 -0.89 -0.0169 -0.0161 -0.66 -1.0935 -0.9895 3189521 PK04_101164 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I05 mock treatment 0.0024 0.00321 0.13 0.0111 0.0119 0.49 0.433 0.8609 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I06 mock treatment -0.0066 -0.00579 -0.23 -0.0059 -0.00508 -0.21 -0.3066 -0.9992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I07 compound treatment -0.0195 -0.0187 -0.73 -0.0069 -0.00608 -0.25 -0.6925 -0.8976 3069840 PK04_101165 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I08 compound treatment -0.0296 -0.0287 -1.12 -0.0219 -0.0211 -0.87 -1.4037 -0.9919 3189522 PK04_101166 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I09 compound treatment -0.0146 -0.0137 -0.54 -0.0099 -0.00908 -0.37 -0.6419 -0.9842 3189523 PK04_101167 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I10 compound treatment -0.0425 -0.0417 -1.63 -0.0249 -0.0241 -0.99 -1.8476 -0.9714 3069841 PK04_101168 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I11 compound treatment -0.0066 -0.00575 -0.22 -9.0E-4 -8.21E-5 0.0 -0.1607 -0.7177 3189524 PK04_101169 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I12 compound treatment -0.0645 -0.0637 -2.48 -0.0469 -0.0461 -1.89 -3.0904 -0.9908 3189640 PK04_101170 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I13 compound treatment -0.0016 -7.8E-4 -0.03 -0.0019 -0.00108 -0.04 -0.0529 -0.9831 3069842 PK04_101171 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I14 compound treatment -0.0086 -0.00779 -0.3 -0.0079 -0.00708 -0.29 -0.4197 -0.9998 3189641 PK04_101172 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I15 compound treatment -0.0056 -0.00479 -0.19 -0.0109 -0.0101 -0.41 -0.424 -0.9354 3069843 PK04_101173 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I16 compound treatment -0.0165 -0.0157 -0.61 -0.0219 -0.0211 -0.86 -1.0435 -0.986 3189642 PK04_101174 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I17 compound treatment -0.0226 -0.0217 -0.85 -0.0309 -0.0301 -1.23 -1.4708 -0.9832 3069844 PK04_101175 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I18 compound treatment -0.0205 -0.0197 -0.77 -0.0149 -0.0141 -0.58 -0.952 -0.99 3189643 PK04_101176 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I19 compound treatment 0.0054 0.00621 0.24 1.0E-4 9.18E-4 0.04 0.1978 0.8073 3069845 PK04_101177 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I20 compound treatment -0.0165 -0.0157 -0.61 -0.0149 -0.0141 -0.58 -0.8407 -0.9995 3189644 PK04_101178 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I21 mock treatment -0.0186 -0.0177 -0.69 -0.0189 -0.0181 -0.74 -1.0137 -0.9994 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I22 mock treatment 4.0E-4 0.00121 0.05 0.0011 0.00192 0.08 0.089 0.9705 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I23 compound treatment -0.0126 -0.0118 -0.46 -0.0129 -0.0121 -0.5 -0.6748 -0.9993 3189645 PK04_101179 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 I24 compound treatment -0.0305 -0.0297 -1.16 -0.0369 -0.0361 -1.48 -1.8658 -0.9927 3069846 PK04_101180 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J01 compound treatment -0.0186 -0.0177 -0.69 -0.0139 -0.0131 -0.54 -0.8688 -0.9922 3189646 PK04_101181 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J02 compound treatment -0.0305 -0.0297 -1.16 -0.0219 -0.0211 -0.86 -1.429 -0.9897 3189647 PK04_101182 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J03 compound treatment -0.0205 -0.0197 -0.77 -0.0169 -0.0161 -0.66 -1.0086 -0.9971 3069847 PK04_101183 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J04 compound treatment -0.0066 -0.00575 -0.22 -0.0039 -0.00308 -0.13 -0.2476 -0.9633 3189647 PK04_101184 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J05 mock treatment -0.0036 -0.00279 -0.11 -0.0029 -0.00208 -0.09 -0.1371 -0.9929 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J06 mock treatment 0.0094 0.0102 0.4 0.0121 0.0129 0.53 0.655 0.9903 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J07 compound treatment -0.0156 -0.0147 -0.57 -0.0129 -0.0121 -0.5 -0.7572 -0.9973 3189648 PK04_101185 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J08 compound treatment -0.0156 -0.0147 -0.57 -0.0099 -0.00908 -0.37 -0.6694 -0.9779 3189649 PK04_101186 CCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J09 compound treatment -0.0066 -0.00578 -0.23 -0.0029 -0.00208 -0.09 -0.2196 -0.9118 3069848 PK04_101187 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J10 compound treatment -6.0E-4 2.15E-4 0.01 -0.0019 -0.00108 -0.04 -0.0254 -0.5638 3189649 PK04_101188 CCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J11 compound treatment 0.0044 0.00521 0.2 0.0041 0.00492 0.2 0.2862 1.0 3189650 PK04_101189 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J12 compound treatment -6.0E-4 2.16E-4 0.01 0.0011 0.00192 0.08 0.0615 0.7782 3189651 PK04_101190 CCCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J13 compound treatment -0.0046 -0.00375 -0.15 -0.0089 -0.00811 -0.33 -0.3383 -0.9317 3069849 PK04_101191 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J14 compound treatment -0.0016 -7.85E-4 -0.03 -0.0029 -0.00208 -0.09 -0.082 -0.9043 3189651 PK04_101192 CCCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J15 compound treatment -0.0165 -0.0157 -0.61 -0.0149 -0.0141 -0.58 -0.8405 -0.9996 3189652 PK04_101193 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J16 compound treatment -0.0165 -0.0157 -0.61 -0.0179 -0.0171 -0.7 -0.9296 -0.9978 3069850 PK04_101194 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J17 compound treatment -0.0106 -0.00975 -0.38 -0.0159 -0.0151 -0.62 -0.7064 -0.9724 3189653 PK04_101195 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J18 compound treatment -0.0345 -0.0337 -1.31 -0.0299 -0.0291 -1.19 -1.7713 -0.9988 3069850 PK04_101196 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J19 compound treatment -0.0086 -0.00775 -0.3 -0.0079 -0.00711 -0.29 -0.4195 -0.9998 3189654 PK04_101197 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J20 compound treatment -0.0405 -0.0397 -1.55 -0.0419 -0.0411 -1.68 -2.2841 -0.9991 3069851 PK04_101198 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2c(Cl)cccc2CO)c3cccs3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J21 mock treatment 0.0084 0.00921 0.36 0.0081 0.00892 0.37 0.5123 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J22 mock treatment -0.0595 -0.0587 -2.29 -0.0669 -0.0661 -2.71 -3.5319 -0.9965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J23 compound treatment -0.0195 -0.0187 -0.73 -0.0229 -0.0221 -0.91 -1.1558 -0.9941 3189655 PK04_101199 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 J24 compound treatment -0.1204 -0.12 -4.66 -0.0859 -0.0851 -3.49 -5.7605 -0.9897 3069851 PK04_101200 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2c(Cl)cccc2CO)c3cccs3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K01 compound treatment -0.0365 -0.0357 -1.39 -0.0239 -0.0231 -0.94 -1.6514 -0.9822 3189656 PK04_101201 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K02 compound treatment -0.0365 -0.0357 -1.39 -0.0269 -0.0261 -1.07 -1.7414 -0.9915 3189657 PK04_101202 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K03 compound treatment -0.0216 -0.0207 -0.81 -0.0179 -0.0171 -0.7 -1.0674 -0.9975 3069890 PK04_101203 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K04 compound treatment -0.0156 -0.0147 -0.57 -0.0089 -0.00808 -0.33 -0.6404 -0.9658 3189658 PK04_101204 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCC(C)OC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K05 compound treatment -0.0116 -0.0108 -0.42 -0.0069 -0.00608 -0.25 -0.4734 -0.9689 3069891 PK04_101205 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K06 compound treatment -0.0285 -0.0277 -1.08 -0.0189 -0.0181 -0.74 -1.2861 -0.983 3189659 PK04_101206 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K07 mock treatment 4.0E-4 0.00121 0.05 0.0041 0.00492 0.2 0.176 0.85 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K08 mock treatment -0.0036 -0.00279 -0.11 0.0011 0.00192 0.08 -0.0213 -0.1586 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K09 compound treatment -0.0275 -0.0267 -1.04 -0.0209 -0.0201 -0.82 -1.3165 -0.9932 3187684 PK04_101207 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K10 compound treatment -0.1354 -0.135 -5.25 -0.1013 -0.1 -4.12 -6.62 -0.9928 3069892 PK04_101208 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K11 compound treatment -0.0196 -0.0187 -0.73 -0.0119 -0.0111 -0.45 -0.8376 -0.9739 3187685 PK04_101209 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K12 compound treatment -0.0685 -0.0677 -2.64 -0.0439 -0.0431 -1.76 -3.1136 -0.9808 3187686 PK04_101210 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K13 compound treatment -0.0136 -0.0127 -0.5 -0.0169 -0.0161 -0.66 -0.8172 -0.9903 3069893 PK04_101211 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K14 compound treatment -0.0395 -0.0387 -1.51 -0.0389 -0.0381 -1.56 -2.1698 -0.9999 3187687 PK04_101212 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K15 mock treatment -0.0016 -7.89E-4 -0.03 -9.0E-4 -8.21E-5 0.0 -0.0241 -0.7798 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K16 mock treatment 0.0024 0.00321 0.13 -9.0E-4 -8.21E-5 0.0 0.0862 0.6879 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K17 compound treatment -0.0365 -0.0357 -1.39 -0.0349 -0.0341 -1.4 -1.971 -1.0 3069894 PK04_101213 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K18 compound treatment -0.0435 -0.0427 -1.66 -0.0419 -0.0411 -1.68 -2.3667 -1.0 3187688 PK04_101214 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K19 compound treatment -0.0226 -0.0217 -0.85 -0.0229 -0.0221 -0.91 -1.2398 -0.9994 3069895 PK04_101215 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K20 compound treatment -0.0455 -0.0447 -1.74 -0.0509 -0.0501 -2.05 -2.6828 -0.9967 3187689 PK04_101216 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K21 compound treatment -0.0235 -0.0227 -0.89 -0.0299 -0.0291 -1.19 -1.4701 -0.9893 3187690 PK04_101217 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K22 compound treatment -0.0036 -0.00279 -0.11 -0.0039 -0.00308 -0.13 -0.166 -0.9972 3069896 PK04_101218 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K23 mock treatment -0.0086 -0.00775 -0.3 -0.0129 -0.0121 -0.5 -0.5643 -0.9715 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 K24 mock treatment -0.0056 -0.00479 -0.19 -0.0039 -0.00308 -0.13 -0.2211 -0.982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L01 compound treatment -0.0016 -7.85E-4 -0.03 0.0041 0.00492 0.2 0.1209 0.5929 3187691 PK04_101219 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L02 compound treatment 0.0034 0.00422 0.16 0.0161 0.0169 0.69 0.6065 0.8512 3187692 PK04_101220 OCc1cccc(Cl)c1N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L03 compound treatment 0.0034 0.00421 0.16 0.0081 0.00892 0.37 0.3744 0.9347 3069897 PK04_101221 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L04 compound treatment -0.0016 -7.85E-4 -0.03 1.0E-4 9.18E-4 0.04 0.005 0.1023 3187693 PK04_101222 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L05 compound treatment -0.0026 -0.00178 -0.07 0.0071 0.00792 0.32 0.1804 0.5437 3187694 PK04_101223 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L06 compound treatment -6.0E-4 2.15E-4 0.01 -9.0E-4 -8.21E-5 0.0 0.0035 0.3919 3187693 PK04_101224 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L07 mock treatment -0.0046 -0.00378 -0.15 -0.0059 -0.00508 -0.21 -0.2514 -0.9856 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L08 mock treatment -0.0036 -0.00279 -0.11 -0.0019 -0.00108 -0.04 -0.1081 -0.922 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L09 compound treatment 0.0124 0.0133 0.52 0.0141 0.0149 0.61 0.7966 0.9966 3069898 PK04_101225 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L10 compound treatment 0.0185 0.0193 0.75 0.0211 0.0219 0.9 1.1649 0.9961 3187692 PK04_101226 OCc1cccc(Cl)c1N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L11 compound treatment 0.0225 0.0233 0.91 0.0141 0.0149 0.61 1.0721 0.9815 3187695 PK04_101227 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L12 compound treatment 0.0044 0.00521 0.2 0.0081 0.00889 0.36 0.4012 0.962 3187696 PK04_101228 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L13 compound treatment -0.0035 -0.00274 -0.11 -0.0039 -0.00305 -0.13 -0.1638 -0.9968 3069899 PK04_101229 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L14 compound treatment 0.0034 0.00421 0.16 0.0111 0.0119 0.49 0.4606 0.8959 3187696 PK04_101230 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L15 mock treatment 0.0094 0.0102 0.4 0.0061 0.00692 0.28 0.4819 0.9862 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L16 mock treatment 0.0044 0.00521 0.2 0.0061 0.00692 0.28 0.3441 0.9866 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L17 compound treatment 0.0234 0.0243 0.94 0.0181 0.0189 0.77 1.2155 0.9951 3187697 PK04_101231 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L18 compound treatment -0.0125 -0.0117 -0.46 -0.0179 -0.0171 -0.7 -0.8175 -0.9789 3187698 PK04_101232 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L19 compound treatment 0.0074 0.00821 0.32 0.0091 0.00989 0.41 0.5128 0.9932 3069900 PK04_101233 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L20 compound treatment -0.0465 -0.0457 -1.78 -0.0419 -0.0411 -1.68 -2.4496 -0.9996 3187698 PK04_101234 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L21 compound treatment 0.0054 0.00621 0.24 0.0031 0.00392 0.16 0.2846 0.9802 3187699 PK04_101235 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L22 compound treatment -0.0905 -0.0897 -3.5 -0.0689 -0.0681 -2.79 -4.445 -0.9938 3187700 PK04_101236 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2ccc(CCO)cc2)c3cccs3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L23 mock treatment 0.0154 0.0162 0.63 0.0121 0.0129 0.53 0.8202 0.996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 L24 mock treatment -0.0115 -0.0107 -0.42 -0.0149 -0.0141 -0.58 -0.7027 -0.9872 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M01 compound treatment 0.0015 0.0023 0.09 0.0131 0.0139 0.57 0.4659 0.8087 3187701 PK04_101237 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M02 compound treatment -0.0046 -0.00375 -0.15 1.0E-4 9.18E-4 0.04 -0.0766 -0.5082 3069926 PK04_101238 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M03 compound treatment 0.0014 0.00221 0.09 0.0061 0.00689 0.28 0.2606 0.8829 3187702 PK04_101239 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M04 compound treatment -0.0016 -7.85E-4 -0.03 1.0E-4 9.18E-4 0.04 0.005 0.1023 3069927 PK04_101240 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M05 compound treatment -0.0086 -0.00779 -0.3 0.0051 0.00589 0.24 -0.0439 -0.1132 3187703 PK04_101241 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M06 compound treatment 0.0135 0.0143 0.56 0.0151 0.0159 0.65 0.8531 0.9969 3187824 PK04_101242 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCC(C)OC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M07 compound treatment 0.0055 0.00625 0.24 0.0071 0.00789 0.32 0.4009 0.9903 3069928 PK04_101243 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M08 compound treatment -0.0086 -0.00775 -0.3 -9.0E-4 -8.21E-5 0.0 -0.2158 -0.7149 3187825 PK04_101244 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M09 mock treatment 0.0024 0.00321 0.13 0.0091 0.00989 0.41 0.3751 0.8844 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M10 mock treatment -0.0226 -0.0217 -0.85 -0.0159 -0.0151 -0.62 -1.037 -0.9881 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M11 compound treatment -0.0106 -0.00979 -0.38 -9.0E-4 -8.21E-5 0.0 -0.272 -0.7133 3187826 PK04_101245 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M12 compound treatment -0.0635 -0.0627 -2.44 -0.0479 -0.0471 -1.93 -3.0918 -0.9931 3069929 PK04_101246 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M13 mock treatment -0.0046 -0.00378 -0.15 -0.0019 -0.00108 -0.04 -0.1355 -0.8808 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M14 mock treatment 0.0104 0.0113 0.44 0.0141 0.0149 0.61 0.7415 0.9869 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M15 compound treatment -0.0176 -0.0167 -0.65 -0.0199 -0.0191 -0.78 -1.0134 -0.996 3187827 PK04_101247 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M16 compound treatment -0.0256 -0.0247 -0.96 -0.0269 -0.0261 -1.07 -1.4384 -0.9986 3187828 PK04_101248 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M17 compound treatment 0.0104 0.0113 0.44 0.0131 0.0139 0.57 0.7125 0.9917 3069930 PK04_101249 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M18 compound treatment 0.0065 0.00725 0.28 0.0141 0.0149 0.61 0.6313 0.9388 3187829 PK04_101250 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M19 compound treatment 0.0064 0.00722 0.28 0.0051 0.00589 0.24 0.3695 0.9971 3069931 PK04_101251 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M20 compound treatment 4.0E-4 0.00121 0.05 0.0081 0.00889 0.36 0.291 0.7923 3187830 PK04_101252 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M21 compound treatment 0.0044 0.00521 0.2 0.0081 0.00889 0.36 0.4012 0.962 3187831 PK04_101253 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M22 compound treatment 0.0134 0.0142 0.55 0.0161 0.0169 0.69 0.881 0.9939 3069932 PK04_101254 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M23 compound treatment -0.0086 -0.00775 -0.3 -0.0099 -0.00908 -0.37 -0.4766 -0.9946 3187832 PK04_101255 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 M24 compound treatment -0.0126 -0.0118 -0.46 -0.0159 -0.0151 -0.62 -0.7609 -0.9894 3187833 PK04_101256 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N01 compound treatment -0.0096 -0.00879 -0.34 -0.0049 -0.00408 -0.17 -0.3603 -0.9458 3069933 PK04_101257 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N02 compound treatment -0.0226 -0.0217 -0.85 -0.0179 -0.0171 -0.7 -1.0949 -0.9956 3187700 PK04_101258 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2ccc(CCO)cc2)c3cccs3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N03 compound treatment -0.0266 -0.0257 -1.0 -0.0229 -0.0221 -0.91 -1.35 -0.9987 3187834 PK04_101259 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N04 compound treatment -0.0205 -0.0197 -0.77 -0.0119 -0.0111 -0.46 -0.866 -0.9687 3069934 PK04_101260 OCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N05 compound treatment -0.0196 -0.0187 -0.73 0.0041 0.00492 0.2 -0.3739 -0.4935 3187835 PK04_101261 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N06 compound treatment -0.0056 -0.00479 -0.19 0.0021 0.00292 0.12 -0.0473 -0.2133 3069934 PK04_101262 OCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N07 compound treatment -0.0156 -0.0147 -0.57 -0.0049 -0.00408 -0.17 -0.5245 -0.8766 3187836 PK04_101263 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N08 compound treatment -0.0066 -0.00578 -0.23 1.0E-4 9.18E-4 0.04 -0.1326 -0.581 3069935 PK04_101264 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N09 mock treatment -0.0256 -0.0247 -0.96 -0.0209 -0.0201 -0.82 -1.2645 -0.997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N10 mock treatment 0.0054 0.00621 0.24 0.0091 0.00992 0.41 0.4586 0.9694 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N11 compound treatment -0.0226 -0.0217 -0.85 -0.0169 -0.0161 -0.66 -1.066 -0.9924 3187837 PK04_101265 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N12 compound treatment 0.0014 0.00221 0.09 0.0011 0.00192 0.08 0.1166 0.9989 3069935 PK04_101266 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N13 mock treatment -0.0066 -0.00575 -0.22 -0.0079 -0.00711 -0.29 -0.3644 -0.9915 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N14 mock treatment -0.0106 -0.00979 -0.38 -0.0099 -0.00908 -0.37 -0.5328 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N15 compound treatment 0.0155 0.0163 0.63 0.0131 0.0139 0.57 0.8503 0.9986 3069936 PK04_101267 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N16 compound treatment -0.0106 -0.00979 -0.38 -0.0099 -0.00908 -0.37 -0.5328 -0.9999 3187838 PK04_101268 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N17 compound treatment -0.0205 -0.0197 -0.77 -0.0199 -0.0191 -0.78 -1.0978 -1.0 3187839 PK04_101269 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N18 compound treatment -0.0066 -0.00579 -0.23 -0.0039 -0.00308 -0.13 -0.2487 -0.9625 3187838 PK04_101270 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N19 compound treatment -0.0146 -0.0137 -0.54 -0.0149 -0.0141 -0.58 -0.7876 -0.9993 3187840 PK04_101271 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N20 compound treatment -0.0065 -0.00574 -0.22 -0.0069 -0.00605 -0.25 -0.3334 -0.9986 3187841 PK04_101272 CC(C)(C)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N21 compound treatment -0.0026 -0.00179 -0.07 -0.0019 -0.00108 -0.04 -0.0805 -0.9763 3069973 PK04_101273 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N22 compound treatment -0.0565 -0.0557 -2.17 -0.0459 -0.0451 -1.85 -2.8408 -0.9968 3187841 PK04_101274 CC(C)(C)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N23 compound treatment -0.0095 -0.00875 -0.34 -0.0089 -0.00808 -0.33 -0.4751 -0.9999 3187842 PK04_101275 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 N24 compound treatment -0.0515 -0.0507 -1.98 -0.0439 -0.0431 -1.76 -2.6453 -0.9984 3187843 PK04_101276 COc1ccc(cc1)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O01 compound treatment -0.0135 -0.0127 -0.5 1.0E-4 9.18E-4 0.04 -0.3243 -0.6516 3069974 PK04_101277 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O02 compound treatment -0.0146 -0.0137 -0.54 -0.0069 -0.00608 -0.25 -0.5549 -0.9394 3187957 PK04_101278 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O03 compound treatment -0.0236 -0.0227 -0.89 -0.0179 -0.0171 -0.7 -1.1225 -0.9933 3187958 PK04_101279 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O04 compound treatment -0.0126 -0.0118 -0.46 1.0E-4 9.18E-4 0.04 -0.2981 -0.647 3069975 PK04_101280 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O05 compound treatment -0.0156 -0.0147 -0.57 -0.0119 -0.0111 -0.45 -0.7274 -0.9932 3187959 PK04_101281 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O06 compound treatment -0.0585 -0.0577 -2.25 -0.0399 -0.0391 -1.6 -2.7222 -0.9861 3187960 PK04_101282 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O07 compound treatment -0.0105 -0.00974 -0.38 0.0021 0.00289 0.12 -0.1846 -0.4645 3069976 PK04_101283 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O08 compound treatment -0.0116 -0.0108 -0.42 -0.0049 -0.00408 -0.17 -0.4154 -0.9185 3187961 PK04_101284 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O09 compound treatment -0.0205 -0.0197 -0.77 -0.0149 -0.0141 -0.58 -0.9509 -0.9899 3069977 PK04_101285 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O10 compound treatment -0.0795 -0.0787 -3.07 -0.0649 -0.0641 -2.63 -4.025 -0.997 3187962 PK04_101286 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O11 mock treatment -0.0136 -0.0127 -0.5 -0.0129 -0.0121 -0.5 -0.7021 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O12 mock treatment -0.0235 -0.0227 -0.89 -0.0179 -0.0171 -0.7 -1.1223 -0.9933 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O13 compound treatment -0.0076 -0.00679 -0.26 0.0071 0.00789 0.32 0.0416 0.0997 3187963 PK04_101287 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O14 compound treatment -0.0105 -0.00974 -0.38 -0.0049 -0.00408 -0.17 -0.3865 -0.9323 3069978 PK04_101288 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O15 compound treatment -0.0076 -0.00679 -0.26 1.0E-4 9.18E-4 0.04 -0.1604 -0.6005 3187964 PK04_101289 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O16 compound treatment 0.0044 0.00521 0.2 0.0141 0.0149 0.61 0.5751 0.8943 3187965 PK04_101290 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O17 compound treatment 4.0E-4 0.00121 0.05 0.0061 0.00689 0.28 0.2331 0.8143 3069979 PK04_101291 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O18 compound treatment -0.0205 -0.0197 -0.77 -0.0139 -0.0131 -0.54 -0.9238 -0.9846 3187966 PK04_101292 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O19 compound treatment -0.0136 -0.0127 -0.5 -0.0079 -0.00708 -0.29 -0.5564 -0.9673 3187967 PK04_101293 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O20 compound treatment -0.0435 -0.0427 -1.66 -0.0379 -0.0371 -1.52 -2.2499 -0.999 3069980 PK04_101294 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O21 compound treatment -0.0106 -0.00979 -0.38 -0.0059 -0.00508 -0.21 -0.4169 -0.9595 3187968 PK04_101295 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O22 compound treatment -0.0056 -0.00479 -0.19 0.0011 0.00189 0.08 -0.0771 -0.3821 3069981 PK04_101296 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O23 compound treatment -0.0136 -0.0127 -0.5 -0.0109 -0.0101 -0.41 -0.6441 -0.996 3187969 PK04_101297 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 O24 compound treatment -0.0355 -0.0347 -1.35 -0.0269 -0.0261 -1.07 -1.7139 -0.9932 3187970 PK04_101298 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P01 compound treatment -0.0456 -0.0447 -1.74 -0.0359 -0.0351 -1.44 -2.2502 -0.9955 3069982 PK04_101299 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P02 compound treatment -0.0116 -0.0107 -0.42 -0.0269 -0.0261 -1.07 -1.051 -0.9164 3187843 PK04_101300 COc1ccc(cc1)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P03 compound treatment -0.0086 -0.00775 -0.3 -0.0049 -0.00408 -0.17 -0.3316 -0.9612 3187971 PK04_101301 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P04 compound treatment -0.0295 -0.0287 -1.12 -0.0209 -0.0201 -0.82 -1.3746 -0.9886 3069983 PK04_101302 OCCOCCN(C(C(=O)N(CC=C)Cc1ccccc1)c2cccs2)C(=O)/C=C\C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P05 compound treatment -0.0406 -0.0397 -1.55 -0.0309 -0.0301 -1.23 -1.9675 -0.9937 3187972 PK04_101303 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P06 compound treatment -0.0325 -0.0317 -1.24 -0.0239 -0.0231 -0.95 -1.5442 -0.9913 3187973 PK04_101304 OCCOCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P07 compound treatment -0.0306 -0.0297 -1.16 -0.0269 -0.0261 -1.07 -1.5761 -0.9992 3069985 PK04_101305 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P08 compound treatment -0.0176 -0.0167 -0.65 -0.0129 -0.0121 -0.5 -0.8114 -0.9907 3187974 PK04_101306 CCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P09 compound treatment -0.0285 -0.0277 -1.08 -0.0219 -0.0211 -0.87 -1.3762 -0.9939 3187975 PK04_101307 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P10 compound treatment -0.0296 -0.0287 -1.12 -0.0249 -0.0241 -0.99 -1.4906 -0.9981 3187974 PK04_101308 CCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P11 mock treatment -0.0395 -0.0387 -1.51 -0.0339 -0.0331 -1.36 -2.0255 -0.9986 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P12 mock treatment -0.0226 -0.0217 -0.85 -0.0129 -0.0121 -0.5 -0.9501 -0.9676 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P13 compound treatment -0.0406 -0.0397 -1.55 -0.0309 -0.0301 -1.23 -1.9675 -0.9937 3069986 PK04_101309 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P14 compound treatment -0.0216 -0.0207 -0.81 -0.0209 -0.0201 -0.82 -1.1543 -1.0 3069301 PK04_101310 CCCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P15 compound treatment -0.0156 -0.0147 -0.57 -0.0109 -0.0101 -0.41 -0.6992 -0.9871 3187976 PK04_101311 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCCCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P16 compound treatment -0.0245 -0.0237 -0.92 -0.0219 -0.0211 -0.87 -1.2658 -0.9994 3069301 PK04_101312 CCCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P17 compound treatment -0.0376 -0.0367 -1.43 -0.0379 -0.0371 -1.52 -2.0877 -0.9995 3187977 PK04_101313 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P18 compound treatment -0.0136 -0.0128 -0.5 -0.0059 -0.00508 -0.21 -0.4995 -0.9251 3069302 PK04_101314 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c1cccs1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P19 compound treatment -0.0176 -0.0167 -0.65 -0.0099 -0.00908 -0.37 -0.7245 -0.9646 3189130 PK04_101315 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P20 compound treatment -0.0216 -0.0207 -0.81 -0.0149 -0.0141 -0.58 -0.9796 -0.9864 3069302 PK04_101316 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c1cccs1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P21 compound treatment -0.0026 -0.00179 -0.07 1.0E-4 9.18E-4 0.04 -0.0226 -0.2856 3189131 PK04_101317 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5c(Cl)cccc5CO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P22 compound treatment -0.0296 -0.0287 -1.12 -0.0289 -0.0281 -1.15 -1.6057 -0.9999 3069303 PK04_101318 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P23 compound treatment -0.0095 -0.00875 -0.34 -0.0039 -0.00308 -0.13 -0.3302 -0.9088 3069685 PK04_101319 OCc1cccc(Cl)c1N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2101 P24 compound treatment -0.0276 -0.0267 -1.04 -0.0259 -0.0251 -1.03 -1.4645 -1.0 3069303 PK04_101320 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c2cccs2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A01 compound treatment -0.0209 -0.0197 -0.77 -0.0034 -0.00336 -0.14 -0.639 -0.8209 3188092 PK04_102001 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A02 compound treatment -0.0319 -0.0306 -1.19 -0.0414 -0.0414 -1.7 -2.0423 -0.9852 3188093 PK04_102002 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCCCC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A03 compound treatment 0.002 0.00329 0.13 -0.0314 -0.0313 -1.28 -0.8172 -0.6333 3069304 PK04_102003 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccccc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A04 compound treatment -0.0129 -0.0117 -0.45 -0.0284 -0.0283 -1.16 -1.1423 -0.9162 3188094 PK04_102004 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A05 compound treatment -0.007 -0.0057 -0.22 -0.0104 -0.0104 -0.42 -0.4575 -0.9544 3069305 PK04_102005 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A06 compound treatment -0.008 -0.00667 -0.26 -0.0114 -0.0113 -0.46 -0.512 -0.9623 3188095 PK04_102006 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A07 compound treatment -0.0059 -0.00462 -0.18 -0.0434 -0.0433 -1.78 -1.3832 -0.7748 3069306 PK04_102007 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(c5ccccc53)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A08 compound treatment -0.0169 -0.0157 -0.61 -0.0314 -0.0313 -1.28 -1.3396 -0.9421 3188096 PK04_102008 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(NC(=O)C)cc4)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A09 compound treatment -0.0399 -0.0386 -1.5 -0.0134 -0.0134 -0.55 -1.4514 -0.9064 3188097 PK04_102009 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A10 compound treatment -0.0239 -0.0226 -0.88 -0.0124 -0.0124 -0.51 -0.9813 -0.9654 3069307 PK04_102010 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCOC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A11 compound treatment -0.002 -7.03E-4 -0.03 -0.0064 -0.00637 -0.26 -0.2038 -0.7771 3188098 PK04_102011 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(c6ccccc63)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A12 compound treatment -0.0149 -0.0136 -0.53 -0.0154 -0.0153 -0.63 -0.8197 -0.9964 3069308 PK04_102012 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N(C=O)c5ccccc5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A13 mock treatment -0.0109 -0.00966 -0.38 -0.0154 -0.0153 -0.63 -0.7105 -0.97 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A14 mock treatment -0.019 -0.0177 -0.69 -0.0094 -0.00933 -0.38 -0.7571 -0.9615 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A15 compound treatment 0.0101 0.0113 0.44 0.0046 0.00464 0.19 0.4466 0.9291 3188099 PK04_102013 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(c4ccccc43)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A16 compound treatment -0.004 -0.00271 -0.11 0.0046 0.00464 0.19 0.0598 0.2751 3188100 PK04_102014 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A17 compound treatment -0.008 -0.00671 -0.26 -0.0174 -0.0173 -0.71 -0.687 -0.9078 3069309 PK04_102015 COc1ccc(cc1)C(=O)Nc2ccc3N(Cc4ccccc4)C(=O)[C@]5(O[C@H](CCO)[C@H]([C@@H]5C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A18 compound treatment -0.003 -0.00171 -0.07 -4.0E-4 -3.61E-4 -0.01 -0.0575 -0.8438 3188101 PK04_102016 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A19 compound treatment 0.0081 0.00938 0.37 0.0196 0.0197 0.81 0.8281 0.9361 3069310 PK04_102017 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)COc6ccccc56 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A20 compound treatment -0.008 -0.00667 -0.26 -0.0094 -0.00933 -0.38 -0.4541 -0.9823 3188102 PK04_102018 COc1ccc(cc1)C(=O)Nc2ccc3N(Cc4ccccc4)C(=O)[C@@]5(O[C@@H](CCO)[C@@H]([C@H]5C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A21 compound treatment -0.022 -0.0207 -0.81 -0.0014 -0.00136 -0.06 -0.6087 -0.7541 3188103 PK04_102019 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A22 compound treatment -0.023 -0.0217 -0.84 -0.0164 -0.0164 -0.67 -1.0713 -0.9935 3069311 PK04_102020 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A23 compound treatment -0.002 -7.08E-4 -0.03 -0.0054 -0.00537 -0.22 -0.175 -0.7896 3188104 PK04_102021 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCOC7=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 A24 compound treatment -0.029 -0.0277 -1.08 -0.0244 -0.0243 -1.0 -1.4673 -0.9992 3188105 PK04_102022 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCOC7=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B01 compound treatment -0.001 2.92E-4 0.01 0.0016 0.00164 0.07 0.0555 0.8153 3069350 PK04_102023 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCC5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B02 compound treatment 0.009 0.0103 0.4 0.0066 0.00664 0.27 0.476 0.9821 3188106 PK04_102024 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B03 compound treatment -0.0449 -0.0436 -1.7 -0.0504 -0.0503 -2.06 -2.6604 -0.9954 3069351 PK04_102025 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCCCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B04 compound treatment -0.0609 -0.0596 -2.32 -0.0778 -0.0777 -3.19 -3.8952 -0.9879 3188107 PK04_102026 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B05 compound treatment 0.0071 0.00838 0.33 -0.0084 -0.00834 -0.34 -0.0108 -0.0228 3188221 PK04_102027 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B06 compound treatment -0.0019 -6.18E-4 -0.02 0.0056 0.00566 0.23 0.147 0.6303 3069352 PK04_102028 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B07 compound treatment -0.0039 -0.00262 -0.1 -0.0194 -0.0194 -0.79 -0.6335 -0.7915 3188222 PK04_102029 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B08 compound treatment 0.0181 0.0194 0.76 0.0186 0.0187 0.76 1.0747 1.0 3069353 PK04_102030 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(I)cc5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B09 compound treatment 0.0131 0.0144 0.56 0.0196 0.0197 0.81 0.9659 0.9843 3188223 PK04_102031 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B10 compound treatment 0.0031 0.00438 0.17 0.0066 0.00666 0.27 0.3137 0.9745 3188224 PK04_102032 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B11 compound treatment -0.0319 -0.0306 -1.19 -0.0344 -0.0344 -1.41 -1.8395 -0.9966 3069354 PK04_102033 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B12 compound treatment -0.0199 -0.0186 -0.73 -0.0174 -0.0173 -0.71 -1.0154 -0.9999 3188225 PK04_102034 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCCCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B13 mock treatment 0.0141 0.0153 0.6 0.0176 0.0177 0.72 0.9345 0.9954 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B14 mock treatment 0.016 0.0173 0.68 0.0016 0.00163 0.07 0.5249 0.7735 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B15 compound treatment -0.0209 -0.0196 -0.76 -0.0334 -0.0333 -1.37 -1.5066 -0.9623 3188226 PK04_102035 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B16 compound treatment 0.0111 0.0124 0.48 0.0036 0.00366 0.15 0.4471 0.8851 3069355 PK04_102036 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B17 compound treatment -0.0409 -0.0396 -1.54 -0.0564 -0.0563 -2.31 -2.7241 -0.9808 3188227 PK04_102037 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B18 compound treatment 0.0141 0.0154 0.6 0.0096 0.00966 0.4 0.7037 0.9797 3069356 PK04_102038 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B19 compound treatment -0.1289 -0.128 -4.97 -0.1318 -0.132 -5.4 -7.3334 -0.9992 3188228 PK04_102039 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B20 compound treatment 0.029 0.0303 1.18 0.0276 0.0277 1.13 1.6374 0.9998 3188229 PK04_102040 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B21 compound treatment 0.017 0.0183 0.71 0.0236 0.0237 0.97 1.1909 0.9887 3069357 PK04_102041 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6c3cc(C)cc6Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B22 compound treatment -0.0269 -0.0256 -1.0 -0.0104 -0.0103 -0.42 -1.0054 -0.9272 3188230 PK04_102042 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(I)c6)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B23 compound treatment 0.0081 0.00938 0.37 -0.0124 -0.0124 -0.51 -0.0999 -0.1598 3069358 PK04_102043 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)COc8ccccc78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 B24 compound treatment 0.0131 0.0143 0.56 6.0E-4 6.39E-4 0.03 0.4134 0.7394 3188231 PK04_102044 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(I)cc5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C01 compound treatment -0.0249 -0.0237 -0.92 -0.0214 -0.0214 -0.88 -1.271 -0.9997 3188232 PK04_102045 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(c5ccccc53)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C02 compound treatment 0.0021 0.00333 0.13 -0.0054 -0.00536 -0.22 -0.0636 -0.2491 3069359 PK04_102046 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)COc7ccccc67 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C03 compound treatment -0.0179 -0.0167 -0.65 -0.0204 -0.0203 -0.83 -1.0481 -0.9924 3188233 PK04_102047 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(c6ccccc63)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C04 compound treatment 0.0141 0.0153 0.6 -0.0084 -0.00833 -0.34 0.181 0.263 3188234 PK04_102048 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C05 compound treatment 0.0121 0.0133 0.52 -0.0204 -0.0203 -0.83 -0.2219 -0.226 3069360 PK04_102049 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C06 compound treatment 0.002 0.00329 0.13 0.0056 0.00567 0.23 0.255 0.9608 3188235 PK04_102050 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C07 compound treatment -0.006 -0.00471 -0.18 -0.0024 -0.00236 -0.1 -0.1981 -0.9553 3069393 PK04_102051 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C08 compound treatment 0.0141 0.0154 0.6 0.0166 0.0167 0.68 0.9065 0.9979 3188236 PK04_102052 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7ccccc7Oc8ccccc68 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C09 compound treatment 0.0171 0.0184 0.72 0.0216 0.0217 0.89 1.1343 0.9943 3069394 PK04_102053 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(C)c4c3cc(C)cc4Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C10 compound treatment -0.006 -0.00471 -0.18 0.0026 0.00267 0.11 -0.0524 -0.2452 3188352 PK04_102054 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)COc6ccccc56)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C11 mock treatment 0.001 0.00229 0.09 -0.0034 -0.00336 -0.14 -0.0343 -0.2087 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C12 mock treatment 0.001 0.00229 0.09 0.0016 0.00164 0.07 0.1106 0.9901 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C13 compound treatment 0.002 0.00329 0.13 0.0066 0.00664 0.27 0.2831 0.9411 3188353 PK04_102055 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C14 compound treatment 0.0121 0.0134 0.52 0.0256 0.0257 1.05 1.1122 0.9476 3069395 PK04_102056 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6ccccc6Oc7ccccc57 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C15 mock treatment -0.007 -0.00571 -0.22 -0.0084 -0.00836 -0.34 -0.3995 -0.9781 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C16 mock treatment 0.007 0.00833 0.32 0.0016 0.00164 0.07 0.277 0.8357 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C17 compound treatment 0.0131 0.0144 0.56 0.0126 0.0127 0.52 0.763 0.9993 3188354 PK04_102057 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C18 compound treatment -0.0029 -0.00162 -0.06 0.0096 0.00966 0.4 0.2353 0.5871 3069396 PK04_102058 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)[C@H](C)O)cc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C19 compound treatment 0.0111 0.0124 0.48 0.0136 0.0137 0.56 0.7369 0.9973 3188355 PK04_102059 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)COc6ccccc56)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C20 compound treatment 0.0021 0.00338 0.13 0.0226 0.0227 0.93 0.7498 0.7994 3188356 PK04_102060 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C21 compound treatment 0.001 0.0023 0.09 0.0186 0.0187 0.77 0.6042 0.7844 3069397 PK04_102061 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C22 compound treatment 1.0E-4 0.00138 0.05 0.0016 0.00166 0.07 0.0861 0.9933 3188357 PK04_102062 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)COc7ccccc67 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C23 compound treatment -0.005 -0.00371 -0.14 -0.0084 -0.00836 -0.34 -0.3444 -0.9263 3188358 PK04_102063 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 C24 compound treatment 0.003 0.00429 0.17 -0.0024 -0.00236 -0.1 0.0498 0.2579 3069398 PK04_102064 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D01 compound treatment -0.0229 -0.0216 -0.84 -0.0204 -0.0204 -0.83 -1.1859 -1.0 3188359 PK04_102065 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D02 compound treatment 0.0041 0.00538 0.21 0.0056 0.00566 0.23 0.3123 0.9987 3069399 PK04_102066 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(I)cc6)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D03 compound treatment -0.0539 -0.0527 -2.05 -0.0564 -0.0563 -2.31 -3.0833 -0.9983 3188360 PK04_102067 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D04 compound treatment -0.0729 -0.0716 -2.79 -0.0464 -0.0464 -1.9 -3.3168 -0.9825 3188361 PK04_102068 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D05 compound treatment -0.0159 -0.0147 -0.57 -0.0084 -0.00834 -0.34 -0.6455 -0.9699 3069400 PK04_102069 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D06 compound treatment -0.0129 -0.0117 -0.45 -0.0214 -0.0213 -0.87 -0.9396 -0.9535 3188362 PK04_102070 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D07 compound treatment 0.0111 0.0124 0.48 0.0106 0.0107 0.44 0.6503 0.9988 3188363 PK04_102071 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D08 compound treatment -0.001 2.92E-4 0.01 0.0076 0.00764 0.31 0.2294 0.7323 3069401 PK04_102072 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D09 compound treatment 0.0051 0.00638 0.25 -0.0054 -0.00536 -0.22 0.0205 0.0617 3188364 PK04_102073 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D10 compound treatment -0.0239 -0.0227 -0.88 -0.0164 -0.0164 -0.67 -1.0989 -0.9908 3069402 PK04_102074 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D11 mock treatment 0.0141 0.0153 0.6 0.0146 0.0146 0.6 0.8466 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D12 mock treatment -0.007 -0.00571 -0.22 0.0056 0.00563 0.23 0.006 0.0188 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D13 compound treatment 0.001 0.00229 0.09 -0.0094 -0.00933 -0.38 -0.2073 -0.5278 3069403 PK04_102075 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D14 compound treatment -0.0559 -0.0546 -2.13 -0.0334 -0.0333 -1.37 -2.4708 -0.9771 3188365 PK04_102076 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D15 mock treatment -0.0089 -0.00767 -0.3 -0.0064 -0.00633 -0.26 -0.3947 -0.9975 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D16 mock treatment -0.001 3.0E-4 0.01 0.0106 0.0107 0.44 0.3174 0.7258 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D17 compound treatment -0.1039 -0.103 -4.0 -0.0908 -0.0907 -3.72 -5.4576 -0.9993 3188366 PK04_102077 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D18 compound treatment 0.001 0.0023 0.09 0.0026 0.00264 0.11 0.1398 0.9956 3069404 PK04_102078 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D19 compound treatment -0.0479 -0.0467 -1.82 -0.0434 -0.0434 -1.78 -2.5422 -0.9999 3188367 PK04_102079 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5CCC[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D20 compound treatment -0.0669 -0.0657 -2.56 -0.0684 -0.0683 -2.8 -3.7892 -0.999 3069405 PK04_102080 COc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D21 compound treatment -0.0249 -0.0237 -0.92 -0.0064 -0.00634 -0.26 -0.8355 -0.8725 3188368 PK04_102081 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D22 compound treatment -0.006 -0.00471 -0.18 -0.0054 -0.00536 -0.22 -0.2851 -0.996 3069440 PK04_102082 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D23 compound treatment -0.0079 -0.00666 -0.26 0.0016 0.00166 0.07 -0.1354 -0.5048 3188485 PK04_102083 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 D24 compound treatment -0.0179 -0.0167 -0.65 -0.0044 -0.00434 -0.18 -0.5846 -0.8689 3069441 PK04_102084 O[C@H](CC=C)c1ccc(O)c(F)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E01 mock treatment 0.001 0.00229 0.09 0.0116 0.0117 0.48 0.4012 0.8249 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E02 mock treatment 0.0111 0.0123 0.48 0.0086 0.00864 0.35 0.5902 0.9887 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E03 compound treatment 0.0131 0.0143 0.56 6.0E-4 6.4E-4 0.03 0.4134 0.7395 3069442 PK04_102085 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(c6ccccc63)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E04 compound treatment -0.0209 -0.0196 -0.76 -0.0314 -0.0313 -1.28 -1.4487 -0.9693 3188486 PK04_102086 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCCCC5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E05 compound treatment 0.0191 0.0204 0.79 0.0196 0.0197 0.81 1.1312 1.0 3188487 PK04_102087 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(c6ccccc63)c7ccccc7 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E06 compound treatment 0.0171 0.0184 0.72 0.0126 0.0127 0.52 0.8735 0.9875 3069443 PK04_102088 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E07 compound treatment 0.0301 0.0314 1.22 0.0206 0.0207 0.85 1.4632 0.9839 3188488 PK04_102089 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(c5ccccc53)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E08 compound treatment 0.0451 0.0464 1.81 0.0316 0.0317 1.3 2.1952 0.9868 3188489 PK04_102090 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E09 mock treatment 0.016 0.0173 0.68 0.0096 0.00964 0.4 0.7568 0.9674 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E10 mock treatment 0.0181 0.0193 0.75 0.0216 0.0217 0.89 1.1605 0.9966 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E11 compound treatment -0.0259 -0.0246 -0.96 -4.0E-4 -3.41E-4 -0.01 -0.6881 -0.7173 3069444 PK04_102091 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E12 compound treatment -9.0E-4 3.82E-4 0.01 -0.0174 -0.0174 -0.71 -0.4929 -0.6922 3188490 PK04_102092 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N(C=O)c5ccccc5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E13 compound treatment 0.0101 0.0114 0.44 -0.0034 -0.00337 -0.14 0.2159 0.4648 3069445 PK04_102093 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5c3cc(C)cc5Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E14 compound treatment -0.0089 -0.00762 -0.3 0.0086 0.00866 0.35 0.041 0.0887 3188491 PK04_102094 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N(C=O)c5ccccc5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E15 compound treatment 0.0281 0.0294 1.14 0.0056 0.00566 0.23 0.9734 0.8334 3188492 PK04_102095 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6c3cc(C)cc6Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E16 compound treatment 0.0121 0.0134 0.52 0.0126 0.0127 0.52 0.7355 1.0 3069446 PK04_102096 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E17 mock treatment 0.003 0.00429 0.17 0.0186 0.0187 0.76 0.6589 0.8418 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E18 mock treatment 0.0141 0.0153 0.6 0.0186 0.0187 0.77 0.9634 0.9925 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E19 compound treatment -0.0329 -0.0316 -1.23 -0.0304 -0.0303 -1.24 -1.7503 -1.0 3188493 PK04_102097 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCCCC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E20 compound treatment 0.0091 0.0104 0.4 0.0116 0.0117 0.48 0.6239 0.9966 3188494 PK04_102098 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E21 compound treatment 0.016 0.0173 0.68 0.0186 0.0187 0.77 1.0185 0.9981 3069448 PK04_102099 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCOC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E22 compound treatment 0.0321 0.0334 1.3 0.0226 0.0227 0.93 1.5763 0.9864 3188495 PK04_102100 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCOC5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E23 compound treatment 0.0191 0.0203 0.79 0.0086 0.00867 0.36 0.8113 0.9345 3069450 PK04_102101 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCOC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 E24 compound treatment 0.0131 0.0143 0.56 0.0316 0.0317 1.3 1.3122 0.929 3188496 PK04_102102 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F01 mock treatment -0.007 -0.0057 -0.22 -0.0024 -0.00236 -0.1 -0.2256 -0.9306 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F02 mock treatment 0.002 0.0033 0.13 -0.0084 -0.00833 -0.34 -0.1506 -0.4129 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F03 compound treatment 0.02 0.0213 0.83 0.0156 0.0157 0.64 1.0417 0.9919 3188497 PK04_102103 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCC7=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F04 compound treatment -0.0719 -0.0706 -2.75 -0.0484 -0.0484 -1.98 -3.3472 -0.9871 3069264 PK04_102104 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F05 compound treatment -0.0319 -0.0306 -1.19 -0.0734 -0.0734 -3.01 -2.9696 -0.918 3069265 PK04_102105 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F06 compound treatment -0.0349 -0.0336 -1.31 -0.0314 -0.0314 -1.29 -1.8352 -1.0 3188498 PK04_102106 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F07 compound treatment 0.0071 0.00838 0.33 6.0E-4 6.39E-4 0.03 0.2494 0.7613 3188499 PK04_102107 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F08 compound treatment 0.015 0.0163 0.64 0.0076 0.00767 0.31 0.6722 0.9471 3069441 PK04_102108 O[C@H](CC=C)c1ccc(O)c(F)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F09 mock treatment -0.008 -0.00667 -0.26 0.0176 0.0177 0.72 0.3282 0.4267 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F10 mock treatment 0.0221 0.0233 0.91 0.0066 0.00664 0.27 0.8352 0.8801 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F11 compound treatment -0.0169 -0.0157 -0.61 -0.0194 -0.0193 -0.79 -0.9918 -0.9916 3188500 PK04_102109 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F12 compound treatment 0.006 0.00733 0.29 -0.0074 -0.00736 -0.3 -0.0113 -0.0272 3069270 PK04_102110 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F13 compound treatment 0.044 0.0453 1.77 0.0186 0.0187 0.77 1.7899 0.9299 3188501 PK04_102111 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5c3cc(C)cc5Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F14 compound treatment 0.005 0.00633 0.25 0.0256 0.0257 1.05 0.918 0.8499 3188502 PK04_102112 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F15 compound treatment -0.0429 -0.0416 -1.62 -0.0204 -0.0203 -0.83 -1.736 -0.9522 3188623 PK04_102113 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F16 compound treatment 0.0111 0.0124 0.48 0.0086 0.00866 0.35 0.592 0.9886 3069312 PK04_102114 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F17 mock treatment 0.0111 0.0123 0.48 0.0056 0.00564 0.23 0.5032 0.9437 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F18 mock treatment 0.0121 0.0133 0.52 0.0246 0.0247 1.01 1.0821 0.9521 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F19 compound treatment -0.0429 -0.0416 -1.62 -0.0544 -0.0543 -2.23 -2.7212 -0.9878 3188624 PK04_102115 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F20 compound treatment 0.0141 0.0153 0.6 0.0126 0.0127 0.52 0.7895 0.9976 3069314 PK04_102116 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F21 compound treatment 0.0131 0.0143 0.56 0.0186 0.0187 0.77 0.9358 0.988 3069316 PK04_102117 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCC7=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F22 compound treatment -0.0369 -0.0357 -1.39 -0.0304 -0.0304 -1.24 -1.8624 -0.9985 3188625 PK04_102118 O[C@@H](CC=C)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F23 compound treatment 0.0211 0.0224 0.87 -0.0084 -0.00836 -0.34 0.3745 0.3997 3188626 PK04_102119 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 F24 compound treatment -0.003 -0.0017 -0.07 0.0176 0.0177 0.72 0.465 0.6396 3069318 PK04_102120 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G01 compound treatment 0.001 0.00233 0.09 -0.0144 -0.0143 -0.59 -0.3512 -0.5907 3069320 PK04_102121 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO)nn2)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G02 compound treatment -0.005 -0.00371 -0.14 -0.0024 -0.00236 -0.1 -0.1706 -0.981 3188627 PK04_102122 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCOC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G03 mock treatment -0.014 -0.0127 -0.49 -0.0114 -0.0113 -0.46 -0.6775 -0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G04 mock treatment 0.0121 0.0133 0.52 -0.0044 -0.00436 -0.18 0.241 0.4386 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G05 compound treatment -0.0109 -0.00965 -0.38 -0.0044 -0.00436 -0.18 -0.3923 -0.9422 3069321 PK04_102123 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G06 compound treatment 0.0101 0.0113 0.44 0.0356 0.0357 1.46 1.3458 0.8814 3188628 PK04_102124 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G07 compound treatment 0.0101 0.0114 0.44 0.0106 0.0107 0.44 0.6227 1.0 3069362 PK04_102125 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(C)c4ccccc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G08 compound treatment 0.0081 0.00938 0.37 -0.0064 -0.00637 -0.26 0.0738 0.1644 3188629 PK04_102126 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCOC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G09 compound treatment 0.0361 0.0374 1.46 0.0396 0.0397 1.63 2.1791 0.9985 3188630 PK04_102127 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G10 compound treatment -0.0049 -0.00362 -0.14 0.0016 0.00166 0.07 -0.0516 -0.3297 3188631 PK04_102128 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G11 compound treatment 0.0091 0.0104 0.4 6.0E-4 6.59E-4 0.03 0.3051 0.7526 3069365 PK04_102129 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(C)c4c3cc(C)cc4Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G12 compound treatment -0.0049 -0.00362 -0.14 0.0036 0.00366 0.15 0.0064 0.0309 3188632 PK04_102130 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G13 compound treatment 0.0061 0.00738 0.29 -0.0064 -0.00634 -0.26 0.0196 0.0506 3069368 PK04_102131 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccccc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G14 compound treatment -0.01 -0.00871 -0.34 -0.0064 -0.00636 -0.26 -0.4242 -0.9915 3069370 PK04_102132 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(NC(=O)C)c4)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G15 compound treatment -0.0109 -0.00966 -0.38 -0.0124 -0.0124 -0.51 -0.6246 -0.9892 3188633 PK04_102133 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G16 compound treatment -0.002 -7.08E-4 -0.03 -0.0114 -0.0114 -0.47 -0.3487 -0.7477 3188634 PK04_102134 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)COc6ccccc56)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G17 compound treatment 0.0171 0.0184 0.72 0.0016 0.00166 0.07 0.5545 0.7708 3188635 PK04_102135 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(NC(=O)[C@H](C)O)c4)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G18 compound treatment -0.003 -0.00171 -0.07 -0.0044 -0.00436 -0.18 -0.1734 -0.9094 3069408 PK04_102136 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCOC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G19 mock treatment 0.003 0.00429 0.17 -0.0184 -0.0183 -0.75 -0.413 -0.5366 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G20 mock treatment -0.0199 -0.0187 -0.73 -0.0064 -0.00637 -0.26 -0.6987 -0.9043 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G21 compound treatment 0.0201 0.0214 0.83 0.0016 0.00166 0.07 0.6371 0.7623 3188636 PK04_102137 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N(C=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G22 compound treatment -0.007 -0.00571 -0.22 -0.0054 -0.00536 -0.22 -0.3126 -1.0 3188637 PK04_102138 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G23 compound treatment -0.001 3.0E-4 0.01 -0.0044 -0.00436 -0.18 -0.1181 -0.6594 3069412 PK04_102139 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 G24 compound treatment -0.0969 -0.0956 -3.73 -0.0944 -0.0943 -3.87 -5.368 -0.9998 3188638 PK04_102140 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCCCC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H01 compound treatment -0.0249 -0.0237 -0.92 -0.0304 -0.0304 -1.24 -1.5317 -0.9891 3188639 PK04_102141 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H02 compound treatment -0.0159 -0.0147 -0.57 0.0156 0.0157 0.64 0.05 0.0581 3069414 PK04_102142 CSc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H03 mock treatment -0.002 -7.08E-4 -0.03 -0.0114 -0.0113 -0.46 -0.3479 -0.7478 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H04 mock treatment -0.005 -0.0037 -0.14 -4.0E-4 -3.61E-4 -0.01 -0.1125 -0.7755 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H05 compound treatment -0.0619 -0.0606 -2.36 -0.0624 -0.0623 -2.55 -3.4765 -0.9992 3188755 PK04_102143 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H06 compound treatment -0.013 -0.0117 -0.46 -0.0134 -0.0133 -0.55 -0.709 -0.996 3188362 PK04_102144 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H07 compound treatment -0.0169 -0.0156 -0.61 -0.0064 -0.00634 -0.26 -0.614 -0.928 3188756 PK04_102145 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCCCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H08 compound treatment -0.0279 -0.0267 -1.04 -0.0204 -0.0204 -0.83 -1.3247 -0.9941 3069452 PK04_102146 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c(F)c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H09 compound treatment -0.0129 -0.0116 -0.45 -0.0244 -0.0243 -1.0 -1.0254 -0.9361 3188757 PK04_102147 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H10 compound treatment -0.0449 -0.0437 -1.7 -0.0204 -0.0203 -0.83 -1.7922 -0.9461 3069454 PK04_102148 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H11 compound treatment -0.005 -0.00367 -0.14 0.0066 0.00664 0.27 0.0913 0.2972 3188758 PK04_102149 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H12 compound treatment -0.0389 -0.0377 -1.47 -0.0524 -0.0523 -2.14 -2.5541 -0.9828 3069456 PK04_102150 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H13 compound treatment -0.0169 -0.0156 -0.61 -0.0384 -0.0384 -1.57 -1.5422 -0.9146 3188759 PK04_102151 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H14 compound treatment -0.1229 -0.122 -4.74 -0.1214 -0.121 -4.97 -6.8667 -0.9997 3069458 PK04_102152 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H15 compound treatment 0.021 0.0223 0.87 0.0236 0.0237 0.97 1.3011 0.9985 3188760 PK04_102153 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H16 compound treatment 0.004 0.00529 0.21 0.0036 0.00364 0.15 0.2512 0.9873 3069460 PK04_102154 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H17 compound treatment 0.0151 0.0164 0.64 0.0016 0.00166 0.07 0.4994 0.778 3188761 PK04_102155 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H18 compound treatment -0.1319 -0.131 -5.09 -0.1314 -0.131 -5.38 -7.4044 -0.9996 3069461 PK04_102156 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c3ccccc23)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H19 mock treatment -0.003 -0.00171 -0.07 -0.0074 -0.00736 -0.3 -0.2604 -0.8428 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H20 mock treatment -0.003 -0.00171 -0.07 -0.0034 -0.00336 -0.14 -0.1445 -0.9443 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H21 compound treatment -0.0169 -0.0157 -0.61 -0.0154 -0.0154 -0.63 -0.8766 -0.9999 3188762 PK04_102157 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H22 compound treatment -0.0459 -0.0446 -1.74 -0.0394 -0.0393 -1.61 -2.3692 -0.9993 3069504 PK04_102158 O[C@H](CC=C)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H23 compound treatment -0.0229 -0.0217 -0.84 -0.0134 -0.0133 -0.55 -0.9833 -0.9779 3188763 PK04_102159 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 H24 compound treatment -0.005 -0.00371 -0.14 -0.0084 -0.00836 -0.34 -0.3444 -0.9263 3069401 PK04_102160 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I01 compound treatment 0.006 0.00733 0.29 -0.0074 -0.00736 -0.3 -0.0113 -0.0272 3069507 PK04_102161 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I02 compound treatment -0.0199 -0.0187 -0.73 -0.0044 -0.00436 -0.18 -0.6407 -0.8554 3188764 PK04_102162 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7ccccc7Oc8ccccc68 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I03 compound treatment -0.0059 -0.00462 -0.18 -0.0224 -0.0224 -0.92 -0.7755 -0.83 3188765 PK04_102163 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I04 compound treatment -0.022 -0.0207 -0.81 -0.0234 -0.0233 -0.96 -1.2456 -0.9963 3069594 PK04_102164 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(NC(=O)C)c4)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I05 mock treatment -0.006 -0.0047 -0.18 0.0066 0.00667 0.27 0.0636 0.1934 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I06 mock treatment -0.011 -0.00971 -0.38 -0.0054 -0.00537 -0.22 -0.4229 -0.9667 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I07 compound treatment -0.0109 -0.00965 -0.38 -0.0044 -0.00437 -0.18 -0.3926 -0.9425 3188766 PK04_102165 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I08 compound treatment 0.0 0.00129 0.05 -0.0134 -0.0133 -0.55 -0.3507 -0.6392 3188767 PK04_102166 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I09 compound treatment 0.0051 0.00638 0.25 -0.0154 -0.0154 -0.63 -0.2693 -0.3979 3069598 PK04_102167 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I10 compound treatment 0.0061 0.00738 0.29 0.0096 0.00966 0.4 0.4833 0.9877 3188768 PK04_102168 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I11 compound treatment 0.0301 0.0314 1.22 0.0316 0.0317 1.3 1.782 0.9996 3188769 PK04_102169 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I12 compound treatment -0.0019 -6.18E-4 -0.02 -0.0114 -0.0114 -0.47 -0.3465 -0.7426 3069636 PK04_102170 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCOC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I13 compound treatment 0.0131 0.0144 0.56 0.0046 0.00466 0.19 0.5312 0.8974 3188770 PK04_102171 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(c5ccccc53)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I14 compound treatment -0.006 -0.00471 -0.18 -0.0074 -0.00736 -0.3 -0.343 -0.9716 3188771 PK04_102172 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I15 compound treatment -0.0709 -0.0696 -2.71 -0.0434 -0.0434 -1.78 -3.1747 -0.979 3069640 PK04_102173 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I16 compound treatment -0.0059 -0.00462 -0.18 -0.0034 -0.00334 -0.14 -0.224 -0.9909 3188888 PK04_102174 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I17 compound treatment 0.0301 0.0314 1.22 -0.0034 -0.00334 -0.14 0.7677 0.624 3069645 PK04_102175 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)C)cc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I18 compound treatment 0.0141 0.0154 0.6 -0.0154 -0.0154 -0.63 -0.0217 -0.0249 3188889 PK04_102176 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7C(=O)c8cccc9cccc7c89 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I19 compound treatment 0.0021 0.00338 0.13 0.0146 0.0147 0.6 0.518 0.8422 3069647 PK04_102177 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I20 compound treatment 0.0031 0.00438 0.17 0.0026 0.00266 0.11 0.1978 0.9765 3188890 PK04_102178 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I21 mock treatment 0.006 0.00729 0.28 -0.0164 -0.0163 -0.67 -0.2723 -0.3746 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I22 mock treatment -0.005 -0.0037 -0.14 -4.0E-4 -3.61E-4 -0.01 -0.1125 -0.7756 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I23 compound treatment 0.0181 0.0194 0.76 0.0126 0.0127 0.52 0.9008 0.9832 3188891 PK04_102179 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6cccc7cccc5c67 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 I24 compound treatment -0.0039 -0.00262 -0.1 -0.0134 -0.0133 -0.55 -0.4587 -0.8248 3069706 PK04_102180 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N(C=O)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J01 compound treatment -0.0259 -0.0247 -0.96 -0.0264 -0.0264 -1.08 -1.4435 -0.9983 3188892 PK04_102181 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J02 compound treatment -0.0379 -0.0367 -1.43 -0.0174 -0.0174 -0.71 -1.5136 -0.9483 3069707 PK04_102182 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J03 compound treatment -0.0099 -0.00866 -0.34 -0.0264 -0.0263 -1.08 -1.0015 -0.8859 3188893 PK04_102183 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J04 compound treatment -0.002 -7.08E-4 -0.03 -0.0014 -0.00136 -0.06 -0.0589 -0.9473 3069711 PK04_102184 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J05 mock treatment -0.01 -0.00867 -0.34 0.0016 0.00164 0.07 -0.1913 -0.5556 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J06 mock treatment -0.008 -0.0067 -0.26 0.0066 0.00664 0.27 0.0077 0.0203 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J07 compound treatment 0.007 0.00833 0.32 -4.0E-4 -3.61E-4 -0.01 0.2191 0.6742 3188894 PK04_102185 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J08 compound treatment -0.1229 -0.122 -4.74 -0.1304 -0.13 -5.34 -7.1275 -0.9982 3069714 PK04_102186 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J09 compound treatment -0.0599 -0.0586 -2.28 -0.0638 -0.0637 -2.61 -3.462 -0.9978 3188895 PK04_102187 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J10 compound treatment -0.021 -0.0197 -0.77 -0.0054 -0.00536 -0.22 -0.6972 -0.8746 3069716 PK04_102188 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J11 compound treatment 1.0E-4 0.00138 0.05 -0.0014 -0.00136 -0.06 -0.0014 -0.0177 3188896 PK04_102189 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J12 compound treatment -0.0499 -0.0486 -1.89 -0.0404 -0.0404 -1.65 -2.5093 -0.9977 3069744 PK04_102190 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J13 compound treatment -0.0759 -0.0746 -2.91 -0.0614 -0.0613 -2.51 -3.8332 -0.9974 3188897 PK04_102191 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J14 compound treatment -0.0159 -0.0147 -0.57 -0.0104 -0.0104 -0.42 -0.7043 -0.9893 3069746 PK04_102192 OCCOc1ccc(cc1)[C@@H](O)CC=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J15 compound treatment 0.006 0.00729 0.28 -0.0104 -0.0103 -0.42 -0.0985 -0.1932 3069749 PK04_102193 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J16 compound treatment -0.0099 -0.00866 -0.34 -0.0234 -0.0233 -0.96 -0.9148 -0.9022 3188898 PK04_102194 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J17 compound treatment -0.0349 -0.0336 -1.31 -0.0564 -0.0563 -2.31 -2.5588 -0.9639 3188899 PK04_102195 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5CCC[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J18 compound treatment -0.0589 -0.0576 -2.24 -0.0524 -0.0523 -2.14 -3.1041 -0.9997 3069504 PK04_102196 O[C@H](CC=C)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J19 compound treatment -0.0349 -0.0336 -1.31 -0.0514 -0.0514 -2.11 -2.4148 -0.9739 3188900 PK04_102197 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J20 compound treatment -0.0379 -0.0367 -1.43 -0.0474 -0.0473 -1.94 -2.3817 -0.9886 3069264 PK04_102198 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J21 mock treatment -0.001 2.92E-4 0.01 0.0056 0.00564 0.23 0.1714 0.741 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J22 mock treatment -0.002 -7.08E-4 -0.03 -0.0184 -0.0183 -0.75 -0.5507 -0.7326 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J23 compound treatment -0.0329 -0.0316 -1.23 -0.0534 -0.0533 -2.19 -2.4168 -0.9632 3069786 PK04_102199 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 J24 compound treatment -0.0219 -0.0207 -0.8 -0.0194 -0.0194 -0.79 -1.1304 -1.0 3188901 PK04_102200 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K01 compound treatment -0.0029 -0.00162 -0.06 -0.0154 -0.0154 -0.63 -0.49 -0.774 3069787 PK04_102201 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(CCO)nn2)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K02 compound treatment -0.003 -0.00171 -0.07 -0.0104 -0.0104 -0.42 -0.3473 -0.8081 3188902 PK04_102202 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)[C@H](C)O)cc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K03 compound treatment -0.005 -0.0037 -0.14 -0.0234 -0.0233 -0.96 -0.7782 -0.8047 3188903 PK04_102203 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K04 compound treatment -0.0099 -0.00862 -0.34 -0.0044 -0.00434 -0.18 -0.3632 -0.9559 3069790 PK04_102204 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N(C=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K05 compound treatment -0.0269 -0.0257 -1.0 -0.0204 -0.0204 -0.83 -1.2972 -0.996 3188904 PK04_102205 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5c3cc(C)cc5Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K06 compound treatment 0.007 0.00833 0.32 -0.0034 -0.00336 -0.14 0.1321 0.3747 3189012 PK04_102206 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K07 mock treatment -0.0309 -0.0297 -1.16 0.0056 0.00563 0.23 -0.654 -0.5549 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K08 mock treatment -0.0119 -0.0107 -0.42 0.0026 0.00264 0.11 -0.2173 -0.5062 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K09 compound treatment -0.015 -0.0137 -0.53 -0.0074 -0.00736 -0.3 -0.591 -0.9634 3069821 PK04_102207 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K10 compound treatment -0.0219 -0.0206 -0.8 -0.0194 -0.0193 -0.79 -1.1285 -1.0 3189013 PK04_102208 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)C)cc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K11 compound treatment 1.0E-4 0.00138 0.05 0.0126 0.0127 0.52 0.4049 0.7763 3069825 PK04_102209 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N4c5c3cc(OC)cc5C(=CC4(C)C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K12 compound treatment -0.0139 -0.0126 -0.49 -0.0174 -0.0174 -0.71 -0.851 -0.9837 3189014 PK04_102210 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K13 compound treatment -0.0449 -0.0436 -1.7 -0.0234 -0.0233 -0.96 -1.878 -0.963 3189015 PK04_102211 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5c3cc(C)cc5Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K14 compound treatment -0.0039 -0.00266 -0.1 -0.0074 -0.00737 -0.3 -0.2868 -0.8982 3069831 PK04_102212 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCOC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K15 mock treatment 0.0091 0.0103 0.4 -0.0014 -0.00136 -0.06 0.2453 0.6038 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K16 mock treatment 0.001 0.00229 0.09 0.0026 0.00264 0.11 0.1396 0.9955 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K17 compound treatment 0.0041 0.00538 0.21 0.0096 0.00966 0.4 0.4282 0.9559 3189016 PK04_102213 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)COc6ccccc56 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K18 compound treatment -0.0049 -0.00362 -0.14 -0.0324 -0.0324 -1.33 -1.0377 -0.7779 3069867 PK04_102214 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K19 compound treatment -0.006 -0.00471 -0.18 -0.0124 -0.0124 -0.51 -0.4879 -0.9056 3189017 PK04_102215 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K20 compound treatment -0.0269 -0.0257 -1.0 -0.0174 -0.0173 -0.71 -1.2094 -0.986 3069873 PK04_102216 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K21 compound treatment -0.0079 -0.00666 -0.26 -0.0204 -0.0204 -0.83 -0.7737 -0.8851 3189018 PK04_102217 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K22 compound treatment 0.007 0.00833 0.32 0.0126 0.0127 0.52 0.5967 0.9744 3189019 PK04_102218 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K23 mock treatment -0.008 -0.00667 -0.26 -0.0064 -0.00633 -0.26 -0.3672 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 K24 mock treatment -0.018 -0.0167 -0.65 -0.0034 -0.00336 -0.14 -0.5564 -0.8383 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L01 compound treatment -0.0369 -0.0357 -1.39 -0.0194 -0.0193 -0.79 -1.5428 -0.9646 3069879 PK04_102219 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L02 compound treatment 0.0 0.00129 0.05 0.0076 0.00763 0.31 0.2568 0.8105 3189020 PK04_102220 C[C@@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L03 compound treatment -0.0159 -0.0146 -0.57 -0.0184 -0.0183 -0.75 -0.9342 -0.9906 3189021 PK04_102221 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L04 compound treatment 0.003 0.00429 0.17 -0.0014 -0.00136 -0.06 0.0788 0.447 3069907 PK04_102222 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L05 compound treatment -0.0519 -0.0506 -1.97 -0.0554 -0.0553 -2.27 -2.9982 -0.9976 3189022 PK04_102223 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L06 compound treatment 0.0011 0.00238 0.09 -0.0084 -0.00836 -0.34 -0.1767 -0.4977 3069909 PK04_102224 C[C@@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L07 mock treatment 0.002 0.0033 0.13 -0.0074 -0.00736 -0.3 -0.1225 -0.3736 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L08 mock treatment 0.001 0.00229 0.09 -0.0024 -0.00236 -0.1 -0.0053 -0.0401 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L09 compound treatment 0.0221 0.0234 0.91 0.0156 0.0157 0.64 1.0982 0.9853 3189023 PK04_102225 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L10 compound treatment -0.002 -7.08E-4 -0.03 0.0156 0.0157 0.64 0.4345 0.6761 3069912 PK04_102226 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L11 compound treatment -0.1039 -0.103 -4.0 -0.0988 -0.0987 -4.05 -5.6884 -1.0 3189024 PK04_102227 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L12 compound treatment -0.0099 -0.00866 -0.34 -0.0044 -0.00434 -0.18 -0.3643 -0.9553 3069746 PK04_102228 OCCOc1ccc(cc1)[C@@H](O)CC=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L13 compound treatment 0.0251 0.0264 1.03 0.0086 0.00866 0.35 0.9777 0.8991 3069917 PK04_102229 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCC5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L14 compound treatment 0.001 0.00229 0.09 -0.0024 -0.00237 -0.1 -0.0056 -0.0422 3069920 PK04_102230 O[C@@H](CC=C)c1ccc(O)c(F)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L15 mock treatment 0.0121 0.0133 0.52 0.0066 0.00663 0.27 0.5596 0.9544 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L16 mock treatment 0.005 0.00629 0.25 0.0036 0.00364 0.15 0.2788 0.9716 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L17 compound treatment 0.0021 0.00338 0.13 0.0086 0.00866 0.35 0.3441 0.909 3189025 PK04_102231 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L18 compound treatment 0.0111 0.0123 0.48 6.0E-4 6.39E-4 0.03 0.3583 0.7445 3069953 PK04_102232 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L19 compound treatment 0.0091 0.0103 0.4 0.0086 0.00867 0.36 0.5358 0.9981 3189026 PK04_102233 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L20 compound treatment 0.002 0.00329 0.13 0.0056 0.00567 0.23 0.255 0.9608 3069956 PK04_102234 CO[C@@H](C=C)[C@@H](O)c1ccc(OC)c(O)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L21 compound treatment -0.0619 -0.0607 -2.36 -0.0554 -0.0554 -2.27 -3.2756 -0.9998 3189027 PK04_102235 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L22 compound treatment -0.0059 -0.00462 -0.18 0.0026 0.00266 0.11 -0.0502 -0.2385 3069961 PK04_102236 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L23 mock treatment 0.0141 0.0153 0.6 0.0086 0.00867 0.36 0.6736 0.9692 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 L24 mock treatment 0.016 0.0173 0.68 0.0136 0.0137 0.56 0.8733 0.9957 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M01 compound treatment 0.0151 0.0164 0.64 0.0126 0.0127 0.52 0.8181 0.9947 3069962 PK04_102237 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(c5ccccc53)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M02 compound treatment 0.0191 0.0204 0.79 0.0216 0.0217 0.89 1.1894 0.9984 3188628 PK04_102238 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M03 compound treatment 0.016 0.0173 0.68 0.0166 0.0167 0.68 0.9605 1.0 3189028 PK04_102239 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6c3cc(C)cc6Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M04 compound treatment -0.0159 -0.0146 -0.57 -0.0244 -0.0243 -1.0 -1.1081 -0.9647 3189141 PK04_102240 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCCCC5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M05 compound treatment 0.0091 0.0103 0.4 -0.0034 -0.00336 -0.14 0.1872 0.4401 3069277 PK04_102241 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M06 compound treatment 0.0211 0.0224 0.87 0.0276 0.0277 1.13 1.4181 0.9916 3189142 PK04_102242 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M07 compound treatment 0.0171 0.0184 0.72 0.0146 0.0147 0.6 0.9312 0.9962 3189143 PK04_102243 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N4c5c3cc(OC)cc5C(=CC4(C)C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M08 compound treatment 0.0231 0.0244 0.95 0.0176 0.0177 0.72 1.1834 0.991 3069284 PK04_102244 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)[C@H](C)O)cc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M09 mock treatment 0.003 0.00429 0.17 0.0056 0.00567 0.23 0.2825 0.987 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M10 mock treatment -0.009 -0.0077 -0.3 -0.0194 -0.0193 -0.79 -0.7724 -0.9118 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M11 compound treatment 0.0111 0.0123 0.48 -0.0034 -0.00336 -0.14 0.2423 0.4849 3189144 PK04_102245 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M12 compound treatment 0.0041 0.00538 0.21 -0.0084 -0.00834 -0.34 -0.0934 -0.233 3189145 PK04_102246 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M13 mock treatment -0.001 2.92E-4 0.01 -4.0E-4 -3.6E-4 -0.01 -0.0024 -0.1283 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M14 mock treatment 0.008 0.00933 0.36 0.0106 0.0107 0.44 0.566 0.9958 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M15 compound treatment -0.0029 -0.00162 -0.06 -0.0154 -0.0154 -0.63 -0.4897 -0.774 3189146 PK04_102247 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M16 compound treatment 0.0041 0.00538 0.21 -0.0204 -0.0203 -0.83 -0.4409 -0.5131 3189147 PK04_102248 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M17 compound treatment -0.0389 -0.0376 -1.47 -0.0274 -0.0273 -1.12 -1.8286 -0.9912 3069327 PK04_102249 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M18 compound treatment 0.0291 0.0304 1.18 0.0306 0.0307 1.26 1.7254 0.9996 3189148 PK04_102250 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCOC5=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M19 compound treatment 0.0171 0.0184 0.72 -0.0014 -0.00134 -0.05 0.4676 0.6509 3069330 PK04_102251 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M20 compound treatment -0.0559 -0.0547 -2.13 -0.0494 -0.0493 -2.02 -2.9356 -0.9997 3189149 PK04_102252 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCCCC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M21 compound treatment 0.0171 0.0184 0.72 0.0096 0.00966 0.4 0.7863 0.9609 3189150 PK04_102253 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M22 compound treatment 0.0081 0.00938 0.37 0.0096 0.00967 0.4 0.5387 0.9992 3189151 PK04_102254 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M23 compound treatment 0.0131 0.0144 0.56 -4.0E-4 -3.41E-4 -0.01 0.3863 0.6892 3189152 PK04_102255 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 M24 compound treatment -0.0199 -0.0187 -0.73 -0.0124 -0.0124 -0.51 -0.8725 -0.9845 3069375 PK04_102256 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N01 compound treatment -0.0329 -0.0317 -1.23 -0.0144 -0.0143 -0.59 -1.2877 -0.9425 3189153 PK04_102257 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N02 compound treatment -0.021 -0.0197 -0.77 -0.0214 -0.0213 -0.87 -1.16 -0.9978 3069379 PK04_102258 CSc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N03 compound treatment 0.0091 0.0103 0.4 -0.0134 -0.0134 -0.55 -0.1025 -0.1509 3189154 PK04_102259 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N04 compound treatment -0.018 -0.0167 -0.65 -0.0184 -0.0183 -0.75 -0.9905 -0.9974 3069716 PK04_102260 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N05 compound treatment 0.004 0.00529 0.21 0.0016 0.00163 0.07 0.1932 0.891 3069403 PK04_102261 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N06 compound treatment -0.015 -0.0137 -0.53 -0.0024 -0.00236 -0.1 -0.445 -0.8221 3069417 PK04_102262 C[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N07 compound treatment -0.0399 -0.0387 -1.51 -0.0294 -0.0293 -1.2 -1.9152 -0.9938 3189155 PK04_102263 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N08 compound treatment -0.035 -0.0337 -1.31 -0.0034 -0.00336 -0.14 -1.0249 -0.7771 3069421 PK04_102264 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N09 mock treatment -0.036 -0.0347 -1.35 -0.0254 -0.0253 -1.04 -1.6891 -0.9915 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N10 mock treatment -0.007 -0.0057 -0.22 0.0036 0.00364 0.15 -0.0517 -0.1932 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N11 compound treatment -0.0859 -0.0847 -3.3 -0.0914 -0.0914 -3.74 -4.9799 -0.998 3189156 PK04_102265 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N12 compound treatment -0.0359 -0.0346 -1.35 -0.0324 -0.0324 -1.33 -1.8917 -1.0 3069424 PK04_102266 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N13 mock treatment 0.002 0.0033 0.13 -0.0054 -0.00536 -0.22 -0.0646 -0.2538 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N14 mock treatment 0.001 0.00229 0.09 -0.0094 -0.00936 -0.38 -0.2081 -0.5284 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N15 compound treatment -0.0449 -0.0437 -1.7 -0.0234 -0.0233 -0.96 -1.8791 -0.9629 3189268 PK04_102267 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N16 compound treatment -0.001 2.92E-4 0.01 -0.0094 -0.00936 -0.38 -0.2632 -0.6858 3069404 PK04_102268 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N17 compound treatment -0.0509 -0.0497 -1.93 -0.0614 -0.0613 -2.51 -3.1456 -0.9916 3069428 PK04_102269 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N18 compound treatment -0.005 -0.00371 -0.14 -0.0054 -0.00536 -0.22 -0.2574 -0.9794 3189269 PK04_102270 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N19 compound treatment -0.1139 -0.113 -4.39 -0.1198 -0.12 -4.91 -6.5735 -0.9985 3070277 PK04_102271 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N20 compound treatment -0.01 -0.00871 -0.34 0.0036 0.00367 0.15 -0.1336 -0.36 3069270 PK04_102272 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N21 compound treatment 0.0131 0.0144 0.56 0.0086 0.00866 0.35 0.6471 0.9757 3070278 PK04_102273 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N22 compound treatment -0.0319 -0.0307 -1.19 -0.0364 -0.0364 -1.49 -1.8984 -0.994 3070279 PK04_102274 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N23 compound treatment 0.0021 0.00338 0.13 -0.0084 -0.00837 -0.34 -0.1494 -0.4065 3070280 PK04_102275 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 N24 compound treatment -0.0119 -0.0107 -0.42 -0.0164 -0.0164 -0.67 -0.7679 -0.9734 3189270 PK04_102276 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O01 compound treatment -0.0019 -6.58E-4 -0.03 0.0036 0.00364 0.15 0.0873 0.5771 3189271 PK04_102277 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(c5ccccc53)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O02 compound treatment 0.0071 0.00838 0.33 -0.0044 -0.00434 -0.18 0.1051 0.2827 3070281 PK04_102278 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N(C=O)c5ccccc5)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O03 compound treatment 0.007 0.00833 0.32 -0.0184 -0.0183 -0.75 -0.3017 -0.3686 3189272 PK04_102279 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O04 compound treatment 0.0271 0.0284 1.11 0.0196 0.0197 0.81 1.3519 0.9879 3189273 PK04_102280 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(NC(=O)[C@H](C)O)c4)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O05 compound treatment 0.0091 0.0104 0.4 -0.0114 -0.0114 -0.47 -0.0432 -0.07 3070282 PK04_102281 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O06 compound treatment 0.0311 0.0324 1.26 0.0286 0.0287 1.17 1.7226 0.9994 3189274 PK04_102282 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6cccc7cccc5c67 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O07 compound treatment -0.0149 -0.0137 -0.53 -0.0034 -0.00337 -0.14 -0.474 -0.8621 3070283 PK04_102283 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5c3cc(C)cc5Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O08 compound treatment 0.0111 0.0124 0.48 -0.0054 -0.00534 -0.22 0.1863 0.3518 3189275 PK04_102284 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N(C=O)c6ccccc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O09 compound treatment -9.0E-4 3.82E-4 0.01 0.0016 0.00166 0.07 0.0586 0.842 3189276 PK04_102285 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O10 compound treatment -0.015 -0.0137 -0.53 -0.0244 -0.0243 -1.0 -1.0827 -0.9572 3070284 PK04_102286 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O11 mock treatment 0.0 0.00129 0.05 -0.0094 -0.00936 -0.38 -0.2357 -0.6091 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O12 mock treatment 0.003 0.00429 0.17 -0.0174 -0.0173 -0.71 -0.384 -0.5262 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O13 compound treatment -0.01 -0.00871 -0.34 -0.0184 -0.0183 -0.75 -0.7714 -0.9354 3189277 PK04_102287 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(C)c4ccccc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O14 compound treatment -0.0059 -0.00462 -0.18 6.0E-4 6.59E-4 0.03 -0.1081 -0.5943 3189278 PK04_102288 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)[C@H](C)O)cc43 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O15 compound treatment 0.0311 0.0324 1.26 0.0126 0.0127 0.52 1.2589 0.9229 3070285 PK04_102289 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(c4ccccc43)c5ccccc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O16 compound treatment 0.003 0.00429 0.17 0.0206 0.0207 0.85 0.7172 0.8307 3189279 PK04_102290 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O17 compound treatment 0.0101 0.0114 0.44 0.0146 0.0147 0.6 0.7386 0.9888 3070286 PK04_102291 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7C(=O)c8cccc9cccc7c89 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O18 compound treatment -0.0409 -0.0396 -1.54 -0.0594 -0.0594 -2.43 -2.8119 -0.9759 3189280 PK04_102292 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCCCC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O19 compound treatment -0.0079 -0.00666 -0.26 -0.0094 -0.00937 -0.38 -0.455 -0.9817 3189281 PK04_102293 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O20 compound treatment -0.0549 -0.0536 -2.09 -0.0544 -0.0544 -2.23 -3.0527 -0.9995 3070287 PK04_102294 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCCCC5=O)c6ccccc63 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O21 compound treatment 0.0281 0.0294 1.14 0.0016 0.00166 0.07 0.8575 0.7478 3189282 PK04_102295 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)COc6ccccc56)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O22 compound treatment 0.0161 0.0174 0.68 0.0046 0.00466 0.19 0.6139 0.8724 3070288 PK04_102296 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6ccccc6Oc7ccccc57 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O23 compound treatment 0.0111 0.0124 0.48 -0.0144 -0.0144 -0.59 -0.0753 -0.0989 3189283 PK04_102297 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 O24 compound treatment -0.0179 -0.0167 -0.65 -0.0324 -0.0323 -1.32 -1.3958 -0.9461 3189284 PK04_102298 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(NC(=O)C)cc4)c5ccccc53 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P01 compound treatment -0.051 -0.0497 -1.94 -0.0344 -0.0343 -1.41 -2.3633 -0.9877 3070289 PK04_102299 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P02 compound treatment -0.0069 -0.00567 -0.22 -0.0104 -0.0104 -0.42 -0.4564 -0.9536 3069953 PK04_102300 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P03 compound treatment -0.0299 -0.0286 -1.11 -0.0184 -0.0183 -0.75 -1.3199 -0.9816 3189285 PK04_102301 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)COc8ccccc78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P04 compound treatment -0.0319 -0.0306 -1.19 -0.0354 -0.0353 -1.45 -1.8673 -0.9954 3070290 PK04_102302 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P05 compound treatment -0.009 -0.00771 -0.3 -0.0224 -0.0223 -0.92 -0.8595 -0.8923 3189394 PK04_102303 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5c3cc(C)cc5Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P06 compound treatment -0.011 -0.00971 -0.38 -0.0264 -0.0263 -1.08 -1.0305 -0.9012 3069907 PK04_102304 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P07 compound treatment -0.0279 -0.0267 -1.04 -0.0164 -0.0163 -0.67 -1.2079 -0.9774 3189395 PK04_102305 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P08 compound treatment -0.026 -0.0247 -0.96 -0.0124 -0.0124 -0.51 -1.0378 -0.9552 3069314 PK04_102306 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P09 compound treatment -0.0159 -0.0147 -0.57 -0.0214 -0.0214 -0.88 -1.0231 -0.9785 3070291 PK04_102307 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P10 compound treatment -0.022 -0.0207 -0.81 -0.0144 -0.0143 -0.59 -0.9847 -0.988 3189396 PK04_102308 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P11 mock treatment -0.0369 -0.0357 -1.39 -0.0394 -0.0393 -1.61 -2.1224 -0.9973 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P12 mock treatment -0.027 -0.0257 -1.0 -0.0174 -0.0173 -0.71 -1.2094 -0.9859 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P13 compound treatment -0.0469 -0.0457 -1.78 -0.0594 -0.0593 -2.43 -2.9774 -0.9882 3189397 PK04_102309 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P14 compound treatment -0.009 -0.00771 -0.3 -0.0184 -0.0183 -0.75 -0.7435 -0.9191 3070292 PK04_102310 OCCOc1ccc(cc1)[C@H](O)CC=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P15 compound treatment -0.0459 -0.0447 -1.74 -0.0354 -0.0353 -1.45 -2.2544 -0.9958 3070293 PK04_102311 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P16 compound treatment -0.019 -0.0177 -0.69 -0.0234 -0.0233 -0.96 -1.1628 -0.987 3070292 PK04_102312 OCCOc1ccc(cc1)[C@H](O)CC=C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P17 compound treatment -0.0299 -0.0287 -1.12 -0.0484 -0.0483 -1.98 -2.1903 -0.9632 3189398 PK04_102313 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P18 compound treatment -0.0479 -0.0466 -1.82 -0.0264 -0.0264 -1.08 -2.0485 -0.9692 3070294 PK04_102314 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P19 compound treatment -0.0639 -0.0626 -2.44 -0.0554 -0.0554 -2.27 -3.3296 -0.9993 3189399 PK04_102315 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P20 compound treatment -0.0319 -0.0306 -1.19 -0.0224 -0.0223 -0.92 -1.4909 -0.9915 3070290 PK04_102316 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P21 compound treatment -0.016 -0.0147 -0.57 0.0026 0.00264 0.11 -0.3287 -0.5637 3189400 PK04_102317 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCC6=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P22 compound treatment -0.027 -0.0257 -1.0 -0.0164 -0.0163 -0.67 -1.1804 -0.9809 3070295 PK04_102318 COc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P23 compound treatment -0.0309 -0.0297 -1.16 -0.0054 -0.00536 -0.22 -0.9727 -0.8267 3189401 PK04_102319 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6c3cc(C)cc6Br 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2102 P24 compound treatment 0.0211 0.0223 0.87 -0.0054 -0.00534 -0.22 0.4605 0.5133 3414053 PK04_102320 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A01 compound treatment -0.0236 -0.0221 -0.86 -0.0067 -0.00616 -0.25 -0.7882 -0.8772 3070297 PK04_103001 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A02 compound treatment -0.0376 -0.0362 -1.41 -0.0217 -0.0212 -0.87 -1.6099 -0.9727 3189402 PK04_103002 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A03 compound treatment -0.1941 -0.193 -7.51 -0.0937 -0.0932 -3.82 -8.0078 -0.9508 3070298 PK04_103003 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A04 compound treatment -0.0196 -0.0181 -0.71 -0.0337 -0.0332 -1.36 -1.4616 -0.9534 3189403 PK04_103004 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A05 compound treatment -0.0186 -0.0171 -0.67 -0.0187 -0.0182 -0.74 -0.9982 -0.9985 3070299 PK04_103005 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A06 compound treatment -0.0316 -0.0302 -1.18 -0.0367 -0.0362 -1.48 -1.8793 -0.9935 3189404 PK04_103006 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccc(OCCO)cc3)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A07 compound treatment -0.0036 -0.00218 -0.09 -0.0357 -0.0352 -1.44 -1.0801 -0.7475 3070300 PK04_103007 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A08 compound treatment -0.0636 -0.0622 -2.42 -0.0797 -0.0792 -3.24 -4.0069 -0.9897 3189405 PK04_103008 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A09 compound treatment -0.0296 -0.0281 -1.1 -7.0E-4 -1.96E-4 -0.01 -0.7808 -0.7123 3189406 PK04_103009 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A10 compound treatment -0.1166 -0.115 -4.49 -0.1159 -0.115 -4.73 -6.516 -0.9997 3070355 PK04_103010 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A11 compound treatment -0.0146 -0.0131 -0.51 -0.0177 -0.0172 -0.7 -0.859 -0.9878 3189407 PK04_103011 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1cccc(OCCO)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A12 compound treatment -0.0666 -0.0652 -2.54 -0.0647 -0.0642 -2.63 -3.655 -0.9998 3189408 PK04_103012 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccc(CO)o2)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A13 mock treatment -0.0066 -0.00513 -0.2 -0.0027 -0.0022 -0.09 -0.2051 -0.935 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A14 mock treatment -0.0326 -0.0311 -1.21 -0.0237 -0.0232 -0.95 -1.5299 -0.9927 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A15 compound treatment -0.0126 -0.0111 -0.43 -0.0097 -0.0092 -0.38 -0.5732 -0.9975 3070356 PK04_103013 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A16 compound treatment -0.0396 -0.0382 -1.49 -0.0337 -0.0332 -1.36 -2.0128 -0.999 3189409 PK04_103014 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A17 compound treatment -0.2481 -0.247 -9.61 -0.0807 -0.0802 -3.28 -9.1188 -0.8978 3070357 PK04_103015 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A18 compound treatment -0.0316 -0.0302 -1.18 -0.0297 -0.0292 -1.19 -1.6765 -1.0 3189410 PK04_103016 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A19 compound treatment -0.0296 -0.0282 -1.1 -0.0277 -0.0272 -1.11 -1.5634 -1.0 3070358 PK04_103017 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccccc1OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A20 compound treatment -0.0356 -0.0342 -1.33 -0.0357 -0.0352 -1.44 -1.9605 -0.9992 3189411 PK04_103018 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccccc2OCCO)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A21 compound treatment -0.0425 -0.0411 -1.6 -0.0187 -0.0182 -0.74 -1.6594 -0.9391 3070359 PK04_103019 CCCCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A22 compound treatment -0.0416 -0.0402 -1.57 -0.0347 -0.0342 -1.4 -2.0968 -0.9984 3189412 PK04_103020 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A23 compound treatment -0.0196 -0.0181 -0.71 -0.0167 -0.0162 -0.66 -0.9689 -0.9995 3070360 PK04_103021 CC(C)C(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 A24 compound treatment -0.2461 -0.245 -9.53 -0.0907 -0.0902 -3.69 -9.3534 -0.9149 3189413 PK04_103022 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B01 compound treatment -0.1061 -0.105 -4.08 -0.1069 -0.106 -4.36 -5.966 -0.9994 3189525 PK04_103023 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B02 compound treatment -0.0236 -0.0222 -0.86 -0.0347 -0.0342 -1.4 -1.6009 -0.9732 3070361 PK04_103024 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B03 compound treatment -0.0536 -0.0522 -2.03 -0.0567 -0.0562 -2.3 -3.0649 -0.9981 3189526 PK04_103025 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B04 compound treatment 0.0104 0.0119 0.46 -0.0127 -0.0122 -0.5 -0.0265 -0.039 3189527 PK04_103026 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B05 compound treatment -0.0636 -0.0622 -2.42 -0.0787 -0.0782 -3.2 -3.9779 -0.9905 3070362 PK04_103027 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B06 compound treatment -0.0075 -0.00613 -0.24 -0.0117 -0.0112 -0.46 -0.4934 -0.9537 3189528 PK04_103028 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B07 compound treatment -0.1301 -0.129 -5.01 -0.1299 -0.129 -5.3 -7.2936 -0.9996 3070363 PK04_103029 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B08 compound treatment 0.0185 0.0199 0.77 0.0123 0.0128 0.52 0.9183 0.9821 3189529 PK04_103030 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3c5ccc(CO)cc5)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B09 compound treatment -0.1411 -0.14 -5.44 -0.1169 -0.116 -4.77 -7.22 -0.9978 3189530 PK04_103031 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B10 compound treatment -0.0666 -0.0652 -2.54 -0.0727 -0.0722 -2.96 -3.8867 -0.9971 3070364 PK04_103032 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4ccc(CN5CCCC5)cc4)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B11 compound treatment -0.1011 -0.0997 -3.88 -0.1019 -0.101 -4.15 -5.6833 -0.9994 3189531 PK04_103033 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B12 compound treatment -0.0096 -0.00818 -0.32 0.0013 0.0018 0.07 -0.1732 -0.5292 3189532 PK04_103034 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B13 mock treatment 0.0155 0.0169 0.66 0.0213 0.0218 0.89 1.0965 0.9886 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B14 mock treatment 0.0225 0.0239 0.93 0.0113 0.0118 0.48 0.9995 0.9536 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B15 compound treatment -0.1561 -0.155 -6.03 -0.1259 -0.125 -5.14 -7.894 -0.9968 3070365 PK04_103035 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B16 compound treatment 0.0104 0.0119 0.46 -0.0017 -0.0012 -0.05 0.2921 0.6283 3189533 PK04_103036 CC1C=C(CCCO)C/C(=N/P(=O)(Oc2ccccc2)Oc3ccccc3)/N1Cc4cccc(OC(F)(F)F)c4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B17 compound treatment -0.1171 -0.116 -4.51 -0.1269 -0.126 -5.18 -6.8486 -0.9976 3070366 PK04_103037 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B18 compound treatment -0.0086 -0.00718 -0.28 -0.0157 -0.0152 -0.62 -0.6371 -0.9352 3189534 PK04_103038 CN1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B19 compound treatment -0.1631 -0.162 -6.3 -0.1309 -0.13 -5.34 -8.2317 -0.9966 3189535 PK04_103039 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B20 compound treatment 0.0014 0.00287 0.11 0.0013 0.0018 0.07 0.1312 0.98 3070367 PK04_103040 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B21 compound treatment -0.1611 -0.16 -6.22 -0.1469 -0.146 -6.0 -8.6403 -0.9998 3189536 PK04_103041 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B22 compound treatment -0.0236 -0.0222 -0.86 -0.0297 -0.0292 -1.19 -1.4561 -0.9874 3189537 PK04_103042 CN1C(=O)C2C(C3C(N(C)C2C=C3c4ccc(CO)cc4)c5cccs5)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B23 compound treatment -0.0286 -0.0272 -1.06 -0.0507 -0.0502 -2.06 -2.2025 -0.9524 3070368 PK04_103043 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 B24 compound treatment -0.0056 -0.00418 -0.16 -0.0167 -0.0162 -0.66 -0.5835 -0.8557 3189538 PK04_103044 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C01 compound treatment -0.0226 -0.0212 -0.83 -0.0247 -0.0242 -0.99 -1.2836 -0.9959 3070369 PK04_103045 COCC(=C)C(=O)CC[C@H](OC(=O)C)c1ccc(CO)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C02 compound treatment -0.0936 -0.0922 -3.59 -0.1037 -0.103 -4.23 -5.5288 -0.9967 3189539 PK04_103046 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C03 compound treatment -0.0186 -0.0172 -0.67 -0.0197 -0.0192 -0.79 -1.0297 -0.9968 3189540 PK04_103047 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C04 compound treatment -0.0576 -0.0562 -2.19 -0.0767 -0.0762 -3.12 -3.7547 -0.9849 3070370 PK04_103048 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C05 compound treatment 0.0065 0.00787 0.31 -0.0187 -0.0182 -0.75 -0.3106 -0.3853 3189541 PK04_103049 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C06 compound treatment -0.0226 -0.0211 -0.82 -0.0157 -0.0152 -0.62 -1.0226 -0.9905 3189542 PK04_103050 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C07 compound treatment -0.0126 -0.0112 -0.44 -0.0097 -0.0092 -0.38 -0.5748 -0.9974 3070371 PK04_103051 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C08 compound treatment -0.0186 -0.0172 -0.67 -0.0157 -0.0152 -0.62 -0.9126 -0.9993 3189543 PK04_103052 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccc(CO)o3)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C09 compound treatment -0.0096 -0.00818 -0.32 -0.0047 -0.0042 -0.17 -0.3472 -0.9581 3070372 PK04_103053 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C10 compound treatment -0.0786 -0.0772 -3.01 -0.0647 -0.0642 -2.63 -3.9856 -0.9978 3189544 PK04_103054 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C11 mock treatment 0.0025 0.00387 0.15 3.0E-4 8.04E-4 0.03 0.1299 0.8418 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C12 mock treatment 0.0065 0.00787 0.31 3.0E-4 8.04E-4 0.03 0.24 0.7786 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C13 compound treatment -0.0106 -0.00918 -0.36 3.0E-4 8.04E-4 0.03 -0.2297 -0.6393 3189545 PK04_103055 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C14 compound treatment -0.0466 -0.0452 -1.76 -0.0377 -0.0372 -1.52 -2.3215 -0.9974 3189546 PK04_103056 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C15 mock treatment -0.0026 -0.00113 -0.04 0.0033 0.0038 0.16 0.079 0.4874 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C16 mock treatment 0.0084 0.00987 0.38 0.0083 0.0088 0.36 0.5269 0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C17 compound treatment -0.1461 -0.145 -5.64 -0.0929 -0.0924 -3.78 -6.6622 -0.9812 3070427 PK04_103057 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C18 compound treatment -0.0796 -0.0782 -3.05 -0.0727 -0.0722 -2.96 -4.2449 -0.9999 3189660 PK04_103058 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3ccccc3OCCO)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C19 compound treatment -0.0196 -0.0182 -0.71 -0.0117 -0.0112 -0.46 -0.8243 -0.9775 3070428 PK04_103059 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C20 compound treatment -0.0266 -0.0252 -0.98 -0.0237 -0.0232 -0.95 -1.3648 -0.9999 3189661 PK04_103060 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C21 compound treatment -0.0106 -0.00913 -0.36 0.0023 0.00284 0.12 -0.1692 -0.4519 3189662 PK04_103061 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C22 compound treatment -0.0496 -0.0482 -1.88 -0.0467 -0.0462 -1.89 -2.665 -1.0 3070429 PK04_103062 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C23 compound treatment -0.0205 -0.0191 -0.75 -0.0327 -0.0322 -1.32 -1.459 -0.9636 3189663 PK04_103063 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 C24 compound treatment -0.0066 -0.00513 -0.2 -0.0127 -0.0122 -0.5 -0.4937 -0.9197 3189664 PK04_103064 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)c2ccncc2)c3cccc(OCCO)c3)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D01 compound treatment -0.2281 -0.227 -8.83 -0.1469 -0.146 -6.0 -10.4861 -0.9822 3070430 PK04_103065 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D02 compound treatment -0.0026 -0.00113 -0.04 -0.0067 -0.0062 -0.25 -0.2108 -0.8179 3189665 PK04_103066 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5ccc(CN6CCCC6)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D03 compound treatment -0.1076 -0.106 -4.14 -0.1099 -0.109 -4.48 -6.0942 -0.9992 3070431 PK04_103067 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D04 compound treatment -0.0376 -0.0362 -1.41 -0.0037 -0.00316 -0.13 -1.0883 -0.7688 3189666 PK04_103068 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D05 compound treatment -0.0456 -0.0442 -1.72 -0.0447 -0.0442 -1.81 -2.4968 -0.9997 3189667 PK04_103069 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D06 compound treatment -0.0016 -1.85E-4 -0.01 -0.0087 -0.00816 -0.33 -0.2414 -0.7222 3189668 PK04_103070 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D07 compound treatment -0.1011 -0.0997 -3.88 -0.1017 -0.101 -4.15 -5.6775 -0.9995 3070432 PK04_103071 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D08 compound treatment -0.0126 -0.0111 -0.43 -0.0017 -0.0012 -0.05 -0.3414 -0.782 3189669 PK04_103072 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D09 compound treatment -0.1391 -0.138 -5.36 -0.1007 -0.1 -4.1 -6.6953 -0.9913 3070433 PK04_103073 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D10 compound treatment -0.0095 -0.00813 -0.32 0.0073 0.00784 0.32 0.0032 0.0071 3189670 PK04_103074 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D11 mock treatment 0.0164 0.0179 0.7 0.0103 0.0108 0.44 0.8052 0.9761 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D12 mock treatment -0.0036 -0.00213 -0.08 0.0063 0.0068 0.28 0.1383 0.4755 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D13 compound treatment -0.0576 -0.0562 -2.19 -0.0637 -0.0632 -2.59 -3.378 -0.9965 3189671 PK04_103075 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D14 compound treatment -0.0046 -0.00313 -0.12 0.0223 0.0228 0.93 0.5744 0.6095 3070434 PK04_103076 NC(=O)N1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D15 mock treatment -0.0326 -0.0311 -1.21 -0.0277 -0.0272 -1.11 -1.6458 -0.9991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D16 mock treatment 0.0045 0.00587 0.23 0.0133 0.0138 0.57 0.5616 0.9205 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D17 compound treatment -0.1621 -0.161 -6.26 -0.0889 -0.0884 -3.62 -6.9871 -0.9661 3189672 PK04_103077 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D18 compound treatment -0.0086 -0.00713 -0.28 -0.0067 -0.0062 -0.25 -0.3763 -0.999 3189673 PK04_103078 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D19 compound treatment -0.0656 -0.0642 -2.5 -0.0657 -0.0652 -2.67 -3.6563 -0.9995 3070435 PK04_103079 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D20 compound treatment -0.0676 -0.0662 -2.58 -0.0807 -0.0802 -3.28 -4.1461 -0.9928 3189674 PK04_103080 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)CC2)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D21 compound treatment -0.1411 -0.14 -5.44 -0.1279 -0.127 -5.22 -7.5387 -0.9998 3189675 PK04_103081 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D22 compound treatment -0.0456 -0.0442 -1.72 -0.0507 -0.0502 -2.06 -2.6707 -0.9961 3070436 PK04_103082 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D23 compound treatment -0.1181 -0.117 -4.55 -0.1149 -0.114 -4.69 -6.5284 -0.9999 3189676 PK04_103083 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 D24 compound treatment -0.0276 -0.0262 -1.02 -0.0147 -0.0142 -0.58 -1.1316 -0.9642 3070437 PK04_103084 CN1CCC(=CC1C2CC2)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E01 mock treatment 0.0014 0.00287 0.11 0.0093 0.0098 0.4 0.363 0.8706 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E02 mock treatment 0.0135 0.0149 0.58 0.0083 0.0088 0.36 0.6646 0.9741 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E03 compound treatment -0.0116 -0.0102 -0.4 -0.0157 -0.0152 -0.62 -0.7198 -0.9766 3189677 PK04_103085 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E04 compound treatment -0.1231 -0.122 -4.74 -0.1289 -0.128 -5.26 -7.0718 -0.9987 3070438 PK04_103086 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E05 compound treatment -0.0146 -0.0132 -0.51 -0.0217 -0.0212 -0.87 -0.9763 -0.9688 3189678 PK04_103087 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E06 compound treatment -0.1031 -0.102 -3.96 -0.1119 -0.111 -4.56 -6.0282 -0.9975 3189679 PK04_103088 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E07 compound treatment -0.0086 -0.00718 -0.28 -0.0417 -0.0412 -1.69 -1.3906 -0.8133 3189680 PK04_103089 COCC(=C)C(=O)CC[C@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E08 compound treatment -0.0306 -0.0292 -1.14 -0.0467 -0.0462 -1.89 -2.1415 -0.9703 3070490 PK04_103090 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E09 mock treatment 0.0175 0.0189 0.73 0.0073 0.0078 0.32 0.7459 0.9305 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E10 mock treatment 0.0164 0.0179 0.7 0.0283 0.0288 1.18 1.3268 0.9683 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E11 compound treatment -0.0245 -0.0231 -0.9 -0.0067 -0.00616 -0.25 -0.8157 -0.8715 3187704 PK04_103091 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E12 compound treatment -0.0871 -0.0857 -3.34 -0.0987 -0.0982 -4.02 -5.2049 -0.9957 3070491 PK04_103092 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E13 compound treatment 0.0104 0.0118 0.46 3.0E-4 8.04E-4 0.03 0.3488 0.7558 3187705 PK04_103093 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E14 compound treatment -0.1071 -0.106 -4.12 -0.0989 -0.0984 -4.03 -5.7617 -0.9999 3187706 PK04_103094 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccccc1OCCO)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E15 compound treatment -0.0406 -0.0392 -1.53 -0.0477 -0.0472 -1.93 -2.446 -0.9932 3070492 PK04_103095 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E16 compound treatment -0.1051 -0.104 -4.04 -0.1169 -0.116 -4.77 -6.2282 -0.9966 3187707 PK04_103096 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E17 mock treatment 0.0045 0.00587 0.23 0.0233 0.0238 0.98 0.8514 0.8497 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E18 mock treatment 0.0144 0.0159 0.62 0.0173 0.0178 0.73 0.953 0.9966 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E19 compound treatment -0.0146 -0.0132 -0.51 -0.0037 -0.00316 -0.13 -0.4547 -0.8584 3070493 PK04_103097 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E20 compound treatment -0.0961 -0.0947 -3.69 -0.1009 -0.1 -4.11 -5.5166 -0.9985 3187708 PK04_103098 CC(C)C(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E21 compound treatment 0.0095 0.0109 0.42 0.0103 0.0108 0.44 0.6124 0.9997 3187709 PK04_103099 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E22 compound treatment -0.0536 -0.0522 -2.03 -0.0597 -0.0592 -2.42 -3.1519 -0.9962 3070494 PK04_103100 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E23 compound treatment -0.0056 -0.00418 -0.16 -0.0047 -0.00416 -0.17 -0.2357 -0.9998 3187710 PK04_103101 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 E24 compound treatment -0.0596 -0.0582 -2.27 -0.0427 -0.0422 -1.73 -2.8245 -0.991 3187711 PK04_103102 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F01 mock treatment -0.0015 -1.35E-4 -0.01 -0.0037 -0.0032 -0.13 -0.0963 -0.7349 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F02 mock treatment 0.0024 0.00387 0.15 -0.0087 -0.0082 -0.34 -0.131 -0.3559 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F03 compound treatment -0.1331 -0.132 -5.13 -0.1489 -0.148 -6.08 -7.9269 -0.9964 3070495 PK04_103103 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F04 compound treatment -0.0046 -0.00313 -0.12 0.0093 0.0098 0.4 0.1977 0.4709 3187712 PK04_103104 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4ccc(CN5CCCC5)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F05 compound treatment -0.0216 -0.0202 -0.79 -0.0427 -0.0422 -1.73 -1.7777 -0.9365 3070496 PK04_103105 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F06 compound treatment 0.0104 0.0119 0.46 0.0033 0.0038 0.16 0.437 0.896 3187713 PK04_103106 CN1C(C2CC2)C3C4C(C1C=C3c5ccc(CO)cc5)C(=O)N(C(=O)N)C4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F07 compound treatment -0.0266 -0.0252 -0.98 -0.0287 -0.0282 -1.15 -1.5097 -0.9967 3070497 PK04_103107 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F08 compound treatment 0.0054 0.00682 0.27 0.0023 0.00284 0.12 0.2702 0.9317 3187714 PK04_103108 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)CC1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F09 mock treatment -0.0136 -0.0121 -0.47 0.0123 0.0128 0.52 0.0367 0.0519 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F10 mock treatment 0.0215 0.0229 0.89 0.0093 0.0098 0.4 0.914 0.9353 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F11 compound treatment -0.0456 -0.0442 -1.72 -0.1379 -0.137 -5.63 -5.1974 -0.883 3187715 PK04_103109 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(OCCO)cc1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F12 compound treatment -0.0056 -0.00418 -0.16 -0.0167 -0.0162 -0.66 -0.5835 -0.8557 3070498 PK04_103110 CC1C=C(CCCO)CCN1Cc2cccc(OC(F)(F)F)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F13 compound treatment -0.0871 -0.0857 -3.34 -0.0447 -0.0442 -1.81 -3.6401 -0.9586 3187716 PK04_103111 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F14 compound treatment -0.0056 -0.00418 -0.16 0.0063 0.00684 0.28 0.083 0.2559 3070499 PK04_103112 CN1CCC(=CC1c2cccs2)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F15 compound treatment -0.0276 -0.0262 -1.02 -0.0047 -0.00416 -0.17 -0.8418 -0.8139 3187717 PK04_103113 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F16 compound treatment 0.0134 0.0148 0.58 0.0143 0.0148 0.61 0.8371 0.9997 3187718 PK04_103114 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F17 mock treatment 0.0104 0.0119 0.46 0.0143 0.0148 0.61 0.7559 0.991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F18 mock treatment 0.0135 0.0149 0.58 0.0243 0.0248 1.02 1.1283 0.9644 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F19 compound treatment 0.0024 0.00382 0.15 -0.0017 -0.0012 -0.05 0.0704 0.4501 3070500 PK04_103115 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1cccc(OCCO)c1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F20 compound treatment 0.0144 0.0159 0.62 0.0093 0.0098 0.4 0.7212 0.9782 3187719 PK04_103116 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)CC1)c4ccc(CN5CCCC5)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F21 compound treatment -0.0586 -0.0572 -2.23 -0.0397 -0.0392 -1.6 -2.7101 -0.987 3070501 PK04_103117 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F22 compound treatment -0.0286 -0.0272 -1.06 -0.0197 -0.0192 -0.79 -1.3039 -0.9891 3187720 PK04_103118 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)CC2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F23 compound treatment -0.0736 -0.0722 -2.81 -0.0557 -0.0552 -2.26 -3.5869 -0.9941 3187721 PK04_103119 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 F24 compound treatment 4.0E-4 0.00187 0.07 0.0213 0.0218 0.89 0.6832 0.7621 3070502 PK04_103120 CN1C(C2C3C(C1C=C2c4ccc(CO)cc4)C(=O)N(C(=O)N)C3=O)c5cccs5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G01 compound treatment 0.0024 0.00387 0.15 -0.0167 -0.0162 -0.66 -0.3628 -0.5331 3187722 PK04_103121 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G02 compound treatment -0.0556 -0.0542 -2.11 -0.0567 -0.0562 -2.3 -3.12 -0.9991 3187723 PK04_103122 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G03 mock treatment -0.0086 -0.00714 -0.28 0.0013 0.0018 0.07 -0.1444 -0.5017 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G04 mock treatment 0.0084 0.00986 0.38 -7.0E-4 -1.96E-4 -0.01 0.266 0.6922 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G05 compound treatment -0.0126 -0.0112 -0.44 -0.0047 -0.00416 -0.17 -0.4286 -0.916 3070503 PK04_103123 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G06 compound treatment -0.0656 -0.0642 -2.5 -0.0697 -0.0692 -2.83 -3.7724 -0.9981 3187724 PK04_103124 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G07 compound treatment -0.0026 -0.00118 -0.05 -0.0137 -0.0132 -0.54 -0.4139 -0.7649 3070504 PK04_103125 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G08 compound treatment -0.0306 -0.0292 -1.14 -0.0427 -0.0422 -1.73 -2.0258 -0.9794 3187725 PK04_103126 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G09 compound treatment -0.0186 -0.0172 -0.67 -0.0127 -0.0122 -0.5 -0.8257 -0.9894 3187726 PK04_103127 CCCCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G10 compound treatment -0.0936 -0.0922 -3.59 -0.0939 -0.0934 -3.83 -5.2449 -0.9995 3070543 PK04_103128 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G11 compound treatment -0.0526 -0.0512 -1.99 -0.0617 -0.0612 -2.51 -3.1823 -0.9936 3187727 PK04_103129 CC(C)C(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G12 compound treatment -0.5291 -0.528 -20.56 -0.3719 -0.371 -15.22 -25.2984 -0.989 3187844 PK04_103130 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G13 compound treatment -0.0616 -0.0602 -2.34 -0.0597 -0.0592 -2.42 -3.3723 -0.9999 3070544 PK04_103131 COCC(=C)C(=O)CC[C@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G14 compound treatment -0.0426 -0.0412 -1.6 -0.0537 -0.0532 -2.18 -2.6749 -0.9887 3187845 PK04_103132 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G15 compound treatment -0.0076 -0.00618 -0.24 -0.0057 -0.00516 -0.21 -0.3198 -0.9979 3070545 PK04_103133 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G16 compound treatment -0.0536 -0.0522 -2.03 -0.0717 -0.0712 -2.92 -3.4995 -0.9845 3187846 PK04_103134 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G17 compound treatment -0.0046 -0.00318 -0.12 -0.0087 -0.00816 -0.33 -0.3241 -0.909 3070546 PK04_103135 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G18 compound treatment -0.0476 -0.0462 -1.8 -0.0507 -0.0502 -2.06 -2.7258 -0.9978 3187847 PK04_103136 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G19 mock treatment 0.0034 0.00487 0.19 -0.0117 -0.0112 -0.46 -0.1904 -0.3835 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G20 mock treatment -0.0196 -0.0181 -0.71 -7.0E-4 -2.0E-4 -0.01 -0.5054 -0.7153 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G21 compound treatment -0.0156 -0.0142 -0.55 -0.0267 -0.0262 -1.07 -1.1499 -0.9523 3070547 PK04_103137 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G22 compound treatment -0.0556 -0.0542 -2.11 -0.0487 -0.0482 -1.97 -2.8882 -0.9994 3187848 PK04_103138 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G23 compound treatment -0.0146 -0.0131 -0.51 -0.0157 -0.0152 -0.62 -0.8022 -0.9952 3070548 PK04_103139 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 G24 compound treatment -0.1381 -0.137 -5.33 -0.1229 -0.122 -5.01 -7.3112 -0.9995 3187849 PK04_103140 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(CO)o1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H01 compound treatment -0.0216 -0.0202 -0.79 -0.0277 -0.0272 -1.11 -1.343 -0.9855 3070549 PK04_103141 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccccc1OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H02 compound treatment -0.0656 -0.0642 -2.5 -0.0457 -0.0452 -1.85 -3.0768 -0.989 3187850 PK04_103142 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)CC1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H03 mock treatment -6.0E-4 8.65E-4 0.03 -0.0057 -0.00516 -0.21 -0.1256 -0.5869 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H04 mock treatment -0.0076 -0.00613 -0.24 -0.0037 -0.0032 -0.13 -0.2616 -0.9599 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H05 compound treatment -0.1981 -0.197 -7.66 -0.1089 -0.108 -4.44 -8.5584 -0.9663 3187851 PK04_103143 CCCCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H06 compound treatment 4.0E-4 0.00187 0.07 -0.0077 -0.0072 -0.29 -0.1571 -0.5174 3187852 PK04_103144 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4ccc(CN5CCCC5)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H07 compound treatment -0.0386 -0.0372 -1.45 -0.0257 -0.0252 -1.03 -1.7534 -0.9861 3070550 PK04_103145 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H08 compound treatment -0.0196 -0.0182 -0.71 -0.0097 -0.00916 -0.38 -0.7663 -0.9558 3187853 PK04_103146 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C(=O)N)C3=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H09 compound treatment -0.0536 -0.0522 -2.03 -0.0627 -0.0622 -2.55 -3.2388 -0.9938 3070551 PK04_103147 COCC(=C)C(=O)CC[C@@H](OC(=O)C)c1ccc(CO)o1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H10 compound treatment -0.0816 -0.0802 -3.12 -0.0617 -0.0612 -2.51 -3.9812 -0.994 3070552 PK04_103148 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)CC1 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H11 compound treatment -0.0246 -0.0232 -0.9 -0.0217 -0.0212 -0.87 -1.2518 -0.9998 3187854 PK04_103149 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H12 compound treatment -0.0086 -0.00713 -0.28 -0.0077 -0.00716 -0.29 -0.4039 -0.9996 3070553 PK04_103150 CN1CCC(=CC1c2cccs2)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H13 compound treatment -0.0186 -0.0172 -0.67 -0.0287 -0.0282 -1.15 -1.2893 -0.9665 3187855 PK04_103151 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H14 compound treatment -0.0306 -0.0292 -1.14 -0.0177 -0.0172 -0.7 -1.3012 -0.9733 3187856 PK04_103152 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3cccs3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H15 compound treatment -0.0166 -0.0152 -0.59 -0.0237 -0.0232 -0.95 -1.0895 -0.9741 3070554 PK04_103153 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(OCCO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H16 compound treatment -0.0846 -0.0832 -3.24 -0.0907 -0.0902 -3.69 -4.9042 -0.9979 3187857 PK04_103154 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H17 compound treatment -0.0046 -0.00318 -0.12 -0.0167 -0.0162 -0.66 -0.5561 -0.8252 3187858 PK04_103155 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H18 compound treatment -0.0146 -0.0131 -0.51 -0.0207 -0.0202 -0.83 -0.9471 -0.9733 3070555 PK04_103156 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)CC2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H19 mock treatment 4.0E-4 0.00187 0.07 -0.0067 -0.0062 -0.25 -0.1282 -0.4853 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H20 mock treatment -0.0015 -1.35E-4 -0.01 -0.0037 -0.0032 -0.13 -0.0963 -0.7349 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H21 compound treatment -0.0205 -0.0191 -0.75 -0.0257 -0.0252 -1.03 -1.2561 -0.9873 3187859 PK04_103157 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H22 compound treatment -0.0146 -0.0131 -0.51 -0.0137 -0.0132 -0.54 -0.7443 -0.9996 3070556 PK04_103158 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H23 compound treatment -0.0216 -0.0201 -0.78 -0.0067 -0.00616 -0.25 -0.7331 -0.8896 3187860 PK04_103159 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3cccc(OCCO)c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 H24 compound treatment -0.0106 -0.00913 -0.36 -0.0157 -0.0152 -0.62 -0.692 -0.9648 3070597 PK04_103160 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I01 compound treatment 0.0014 0.00282 0.11 -0.0077 -0.0072 -0.29 -0.131 -0.4163 3187861 PK04_103161 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I02 compound treatment -0.1381 -0.137 -5.33 -0.0967 -0.0962 -3.94 -6.552 -0.989 3187862 PK04_103162 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I03 compound treatment -0.0036 -0.00218 -0.09 -0.0097 -0.00916 -0.38 -0.3255 -0.846 3070598 PK04_103163 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I04 compound treatment -0.0285 -0.0271 -1.06 -0.0237 -0.0232 -0.95 -1.4197 -0.9986 3187863 PK04_103164 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I05 mock treatment -0.0076 -0.00613 -0.24 0.0153 0.0158 0.65 0.289 0.4186 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I06 mock treatment -0.0046 -0.00314 -0.12 -0.0027 -0.0022 -0.09 -0.1501 -0.9886 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I07 compound treatment -0.0106 -0.00913 -0.36 3.0E-4 8.04E-4 0.03 -0.2284 -0.6389 3070599 PK04_103165 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I08 compound treatment -0.0456 -0.0442 -1.72 -0.0447 -0.0442 -1.81 -2.4968 -0.9997 3187864 PK04_103166 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I09 compound treatment -0.0056 -0.00418 -0.16 -0.0227 -0.0222 -0.91 -0.7573 -0.821 3187865 PK04_103167 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I10 compound treatment -0.2441 -0.243 -9.46 -0.1789 -0.178 -7.31 -11.8542 -0.9919 3070600 PK04_103168 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I11 compound treatment -0.0176 -0.0162 -0.63 -0.0127 -0.0122 -0.5 -0.7993 -0.9934 3187866 PK04_103169 COCC(=C=CC[C@H](O)c1ccccc1OCCO)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I12 compound treatment -0.1911 -0.19 -7.39 -0.1209 -0.12 -4.93 -8.7133 -0.9807 3187978 PK04_103170 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I13 compound treatment -0.0126 -0.0112 -0.44 -0.0167 -0.0162 -0.66 -0.7763 -0.9794 3070601 PK04_103171 CCCCC(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I14 compound treatment -0.0276 -0.0262 -1.02 -0.0207 -0.0202 -0.83 -1.3055 -0.9945 3187979 PK04_103172 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I15 compound treatment -0.0476 -0.0462 -1.8 -0.0297 -0.0292 -1.19 -2.1172 -0.9802 3070602 PK04_103173 CC(C)C(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I16 compound treatment -0.0476 -0.0462 -1.8 -0.0367 -0.0362 -1.48 -2.3201 -0.9953 3187980 PK04_103174 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I17 compound treatment -0.0296 -0.0282 -1.1 -0.0547 -0.0542 -2.22 -2.3458 -0.9474 3070603 PK04_103175 COCC(=C=CC[C@H](O)c1ccc(CO)o1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I18 compound treatment -0.1241 -0.123 -4.78 -0.1429 -0.142 -5.83 -7.505 -0.9951 3187981 PK04_103176 COCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I19 compound treatment -0.0165 -0.0151 -0.59 -0.0077 -0.00716 -0.29 -0.6243 -0.948 3070604 PK04_103177 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I20 compound treatment -0.1261 -0.125 -4.86 -0.1389 -0.138 -5.67 -7.4442 -0.997 3187982 PK04_103178 CC(C)C(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I21 mock treatment 0.0074 0.00886 0.35 -0.0167 -0.0162 -0.66 -0.2252 -0.301 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I22 mock treatment -0.0036 -0.00213 -0.08 0.0023 0.0028 0.11 0.0224 0.1582 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I23 compound treatment -0.0166 -0.0152 -0.59 -0.0237 -0.0232 -0.95 -1.0893 -0.9741 3187983 PK04_103179 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 I24 compound treatment -0.1131 -0.112 -4.35 -0.1347 -0.134 -5.5 -6.9644 -0.9933 3070605 PK04_103180 CCCCC(=C)/C(=C/C[C@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cnc4ccccc4c3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J01 compound treatment -0.0206 -0.0192 -0.75 -0.0287 -0.0282 -1.16 -1.3456 -0.9778 3187984 PK04_103181 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J02 compound treatment -0.0425 -0.0411 -1.6 -0.0207 -0.0202 -0.83 -1.7185 -0.9527 3187985 PK04_103182 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J03 compound treatment -0.0176 -0.0161 -0.63 -0.0377 -0.0372 -1.52 -1.5224 -0.9233 3070606 PK04_103183 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J04 compound treatment -0.0016 -1.38E-4 -0.01 -0.0097 -0.0092 -0.38 -0.2703 -0.7171 3187986 PK04_103184 CN1CCC(=CC1c2ccc(CN3CCCC3)cc2)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J05 mock treatment -0.0036 -0.00213 -0.08 0.0013 0.0018 0.07 -0.0065 -0.0588 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J06 mock treatment 0.0025 0.00387 0.15 0.0073 0.0078 0.32 0.3327 0.9411 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J07 compound treatment -0.0216 -0.0202 -0.79 -0.0357 -0.0352 -1.44 -1.5748 -0.9595 3187987 PK04_103185 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J08 compound treatment -0.0176 -0.0162 -0.63 -0.0267 -0.0262 -1.07 -1.2038 -0.968 3070607 PK04_103186 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3ccc(CN4CCCC4)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J09 compound treatment -0.0496 -0.0482 -1.88 -0.0557 -0.0552 -2.26 -2.9257 -0.9957 3187988 PK04_103187 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J10 compound treatment -0.0216 -0.0201 -0.78 -0.0147 -0.0142 -0.58 -0.9661 -0.9892 3070608 PK04_103188 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J11 compound treatment -0.0436 -0.0422 -1.64 -0.0357 -0.0352 -1.44 -2.1809 -0.9978 3187989 PK04_103189 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J12 compound treatment -0.0156 -0.0141 -0.55 -0.0057 -0.0052 -0.21 -0.5401 -0.9147 3070609 PK04_103190 CN1CCC(=CC1C2CC2)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J13 compound treatment -0.1521 -0.151 -5.87 -0.0747 -0.0742 -3.04 -6.3001 -0.953 3187990 PK04_103191 COCC(=C)C(=O)CC[C@@H](OC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccc(CO)o3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J14 compound treatment -0.0136 -0.0121 -0.47 -0.0117 -0.0112 -0.46 -0.6587 -0.9999 3187991 PK04_103192 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J15 compound treatment -0.0446 -0.0432 -1.68 -0.0597 -0.0592 -2.42 -2.9039 -0.9841 3070610 PK04_103193 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J16 compound treatment -0.0176 -0.0161 -0.63 -0.0287 -0.0282 -1.16 -1.2616 -0.9591 3187992 PK04_103194 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J17 compound treatment -0.0846 -0.0832 -3.24 -0.0537 -0.0532 -2.18 -3.832 -0.9813 3070654 PK04_103195 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J18 compound treatment -0.0186 -0.0172 -0.67 -0.0147 -0.0142 -0.58 -0.8836 -0.9975 3187993 PK04_103196 CN1C(C2CC2)C3C4C(C1C=C3CCCO)C(=O)N(C(=O)N)C4=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J19 compound treatment -0.0776 -0.0762 -2.97 -0.0487 -0.0482 -1.97 -3.4943 -0.9803 3070655 PK04_103197 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(OCCO)cc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J20 compound treatment 0.0084 0.00986 0.38 -0.0117 -0.0112 -0.46 -0.0527 -0.0881 3187994 PK04_103198 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C3CC3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J21 mock treatment 0.0134 0.0148 0.58 0.0023 0.0028 0.11 0.4895 0.8316 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J22 mock treatment 0.0084 0.00987 0.38 -0.0187 -0.0182 -0.75 -0.2555 -0.3046 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J23 compound treatment -0.0236 -0.0221 -0.86 -0.0337 -0.0332 -1.36 -1.5717 -0.9758 3187995 PK04_103199 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 J24 compound treatment -0.0716 -0.0702 -2.73 -0.0747 -0.0742 -3.04 -4.0824 -0.9986 3070656 PK04_103200 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)CCCO)C(=O)OCCS(=O)(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K01 compound treatment -0.0126 -0.0112 -0.44 -0.0227 -0.0222 -0.91 -0.9502 -0.9434 3187996 PK04_103201 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K02 compound treatment -0.0226 -0.0211 -0.82 -0.0287 -0.0282 -1.16 -1.3993 -0.9862 3187997 PK04_103202 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2cccc(OCCO)c2)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K03 compound treatment -0.0165 -0.0151 -0.59 -0.0227 -0.0222 -0.91 -1.0601 -0.978 3070657 PK04_103203 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K04 compound treatment -0.0186 -0.0172 -0.67 -0.0167 -0.0162 -0.66 -0.9428 -1.0 3187998 PK04_103204 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K05 compound treatment -0.0286 -0.0272 -1.06 -0.0177 -0.0172 -0.7 -1.2461 -0.9802 3070658 PK04_103205 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K06 compound treatment -0.0116 -0.0102 -0.4 -0.0157 -0.0152 -0.62 -0.7198 -0.9766 3187999 PK04_103206 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K07 mock treatment -0.0326 -0.0311 -1.21 0.0043 0.0048 0.2 -0.7185 -0.5847 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K08 mock treatment -0.0116 -0.0101 -0.39 0.0043 0.0048 0.2 -0.1401 -0.3173 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K09 compound treatment -0.0326 -0.0312 -1.21 -0.0277 -0.0272 -1.11 -1.646 -0.999 3188000 PK04_103207 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K10 compound treatment -0.1061 -0.105 -4.08 -0.0977 -0.0972 -3.98 -5.6995 -0.9999 3070659 PK04_103208 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccc(OCCO)cc2)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K11 compound treatment -0.0526 -0.0512 -1.99 -0.0517 -0.0512 -2.1 -2.8925 -0.9997 3188108 PK04_103209 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K12 compound treatment -0.0486 -0.0472 -1.84 -0.0467 -0.0462 -1.89 -2.6374 -0.9999 3188109 PK04_103210 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K13 compound treatment -0.0476 -0.0462 -1.8 -0.0297 -0.0292 -1.19 -2.1172 -0.9802 3070660 PK04_103211 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K14 compound treatment -0.2151 -0.214 -8.33 -0.1689 -0.168 -6.9 -10.7655 -0.9956 3188110 PK04_103212 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K15 mock treatment -0.0056 -0.00418 -0.16 -0.0147 -0.0142 -0.58 -0.5267 -0.8717 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K16 mock treatment -0.0015 -1.35E-4 -0.01 3.0E-4 8.04E-4 0.03 0.0196 0.5869 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K17 compound treatment -0.0446 -0.0432 -1.68 -0.0357 -0.0352 -1.44 -2.2085 -0.997 3070661 PK04_103213 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K18 compound treatment -0.1721 -0.171 -6.65 -0.1589 -0.158 -6.49 -9.2911 -0.9999 3188111 PK04_103214 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K19 compound treatment -0.0286 -0.0272 -1.06 -0.0347 -0.0342 -1.4 -1.7387 -0.9905 3188112 PK04_103215 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K20 compound treatment -0.1501 -0.149 -5.79 -0.1229 -0.122 -5.01 -7.6418 -0.9974 3070662 PK04_103216 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K21 compound treatment -0.0456 -0.0442 -1.72 -0.0567 -0.0562 -2.3 -2.8445 -0.9898 3188113 PK04_103217 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K22 compound treatment -0.0366 -0.0352 -1.37 -0.0227 -0.0222 -0.91 -1.6114 -0.98 3188114 PK04_103218 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K23 mock treatment -0.0026 -0.00118 -0.05 -0.0117 -0.0112 -0.46 -0.3571 -0.7743 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 K24 mock treatment -0.0156 -0.0141 -0.55 -0.0047 -0.0042 -0.17 -0.5111 -0.8859 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L01 compound treatment -0.0306 -0.0292 -1.14 -0.0187 -0.0182 -0.74 -1.3301 -0.9789 3070663 PK04_103219 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L02 compound treatment 0.0045 0.00587 0.23 0.0063 0.0068 0.28 0.3587 0.9951 3188115 PK04_103220 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L03 compound treatment -0.0096 -0.00818 -0.32 -0.0027 -0.0022 -0.09 -0.2891 -0.8726 3070664 PK04_103221 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2cccc(OCCO)c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L04 compound treatment -0.0446 -0.0432 -1.68 -0.0337 -0.0332 -1.36 -2.1505 -0.9944 3188116 PK04_103222 CC1C=C(CCCO)C=C(C(=O)OCCS(=O)(=O)C)C(=CN1Cc2cccc(OC(F)(F)F)c2)C(=O)OCCS(=O)(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L05 compound treatment -0.0526 -0.0512 -1.99 -0.0427 -0.0422 -1.73 -2.6317 -0.9974 3070665 PK04_103223 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L06 compound treatment -0.0026 -0.00118 -0.05 -0.0187 -0.0182 -0.74 -0.5588 -0.7495 3188117 PK04_103224 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L07 mock treatment -6.0E-4 8.62E-4 0.03 -0.0067 -0.0062 -0.25 -0.1558 -0.6083 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L08 mock treatment 0.0055 0.00687 0.27 -0.0027 -0.0022 -0.09 0.1255 0.4447 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L09 compound treatment 4.0E-4 0.00182 0.07 -0.0027 -0.00216 -0.09 -0.0125 -0.1102 3188118 PK04_103225 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L10 compound treatment -0.0176 -0.0161 -0.63 -7.0E-4 -1.56E-4 -0.01 -0.449 -0.7143 3188119 PK04_103226 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L11 compound treatment -0.0126 -0.0112 -0.44 -0.0037 -0.00316 -0.13 -0.3996 -0.8791 3070666 PK04_103227 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccccc2OCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L12 compound treatment -0.0076 -0.00618 -0.24 -0.0087 -0.00816 -0.33 -0.4067 -0.9871 3188120 PK04_103228 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c3cccs3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L13 compound treatment -0.0206 -0.0192 -0.75 -0.0187 -0.0182 -0.74 -1.0547 -1.0 3188121 PK04_103229 CCCCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L14 compound treatment -0.0216 -0.0202 -0.79 -0.0187 -0.0182 -0.74 -1.0822 -0.9996 3188122 PK04_103230 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c3ccc(CO)cc3)c4cccs4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L15 mock treatment 0.0194 0.0209 0.81 3.0E-4 8.04E-4 0.03 0.5981 0.7352 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L16 mock treatment 0.0064 0.00786 0.31 0.0043 0.0048 0.2 0.3558 0.9772 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L17 compound treatment -0.0026 -0.00118 -0.05 -0.0017 -0.00116 -0.05 -0.0661 -0.9999 3070709 PK04_103231 CC(C)C(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L18 compound treatment -0.0086 -0.00718 -0.28 -0.0257 -0.0252 -1.03 -0.927 -0.8677 3188123 PK04_103232 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L19 compound treatment -0.0116 -0.0102 -0.4 -0.0117 -0.0112 -0.46 -0.6039 -0.9975 3070710 PK04_103233 COCC(=C)C(=O)CC[C@@H](OC(=O)c1cccnc1)c2ccc(CO)o2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L20 compound treatment -0.0206 -0.0192 -0.75 -0.0257 -0.0252 -1.03 -1.2576 -0.9875 3188124 PK04_103234 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L21 compound treatment -0.0436 -0.0422 -1.64 -0.0397 -0.0392 -1.6 -2.2968 -0.9999 3070711 PK04_103235 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L22 compound treatment -0.0971 -0.0957 -3.73 -0.0667 -0.0662 -2.71 -4.5531 -0.9878 3188125 PK04_103236 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L23 mock treatment 0.0155 0.0169 0.66 0.0103 0.0108 0.44 0.7777 0.9815 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 L24 mock treatment 0.0164 0.0179 0.7 -0.0217 -0.0212 -0.87 -0.1209 -0.1087 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M01 compound treatment -0.1021 -0.101 -3.92 -0.0557 -0.0552 -2.26 -4.3721 -0.9657 3070712 PK04_103237 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M02 compound treatment -0.0016 -1.85E-4 -0.01 -0.0157 -0.0152 -0.62 -0.4443 -0.7153 3188126 PK04_103238 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccc(OCCO)cc3)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M03 compound treatment 0.0014 0.00282 0.11 0.0033 0.00384 0.16 0.1889 0.9843 3070713 PK04_103239 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M04 compound treatment -0.0056 -0.00418 -0.16 -0.0057 -0.00516 -0.21 -0.2647 -0.9918 3188127 PK04_103240 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M05 compound treatment 0.0014 0.00282 0.11 -0.0037 -0.0032 -0.13 -0.0151 -0.0882 3188128 PK04_103241 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M06 compound treatment -0.0066 -0.00518 -0.2 0.0013 0.00184 0.08 -0.0894 -0.4145 3070714 PK04_103242 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M07 compound treatment -0.0086 -0.00718 -0.28 -0.0107 -0.0102 -0.42 -0.4922 -0.9814 3188237 PK04_103243 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M08 compound treatment -0.0126 -0.0112 -0.44 -0.0177 -0.0172 -0.7 -0.8053 -0.9735 3070715 PK04_103244 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccc(CO)o2)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M09 mock treatment -0.0066 -0.00518 -0.2 0.0023 0.0028 0.11 -0.0616 -0.265 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M10 mock treatment -0.0095 -0.00813 -0.32 -0.0167 -0.0162 -0.66 -0.6934 -0.9428 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M11 compound treatment -0.0226 -0.0212 -0.83 -0.0387 -0.0382 -1.56 -1.6893 -0.9554 3188238 PK04_103245 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M12 compound treatment -0.0696 -0.0682 -2.66 -0.0737 -0.0732 -3.0 -3.9983 -0.9982 3188239 PK04_103246 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M13 mock treatment -0.0196 -0.0182 -0.71 -0.0157 -0.0152 -0.62 -0.9403 -0.9979 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M14 mock treatment 0.0014 0.00287 0.11 3.0E-4 8.44E-4 0.03 0.1034 0.8847 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M15 compound treatment -0.0296 -0.0282 -1.1 -0.0427 -0.0422 -1.73 -1.9981 -0.9761 3070716 PK04_103247 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M16 compound treatment -0.0346 -0.0332 -1.29 -0.0597 -0.0592 -2.42 -2.6284 -0.9567 3188240 PK04_103248 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(CO)o1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M17 compound treatment -0.2621 -0.261 -10.16 -0.0747 -0.0742 -3.04 -9.3306 -0.8801 3070717 PK04_103249 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M18 compound treatment -6.0E-4 8.15E-4 0.03 -0.0037 -0.00316 -0.13 -0.069 -0.5181 3188241 PK04_103250 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M19 compound treatment -0.0436 -0.0422 -1.64 -0.0317 -0.0312 -1.28 -2.065 -0.9922 3188242 PK04_103251 CCCCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M20 compound treatment -0.0286 -0.0272 -1.06 -0.0167 -0.0162 -0.66 -1.217 -0.9744 3070718 PK04_103252 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)C)c2ccccc2OCCO)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M21 compound treatment -0.0116 -0.0102 -0.4 -0.0107 -0.0102 -0.42 -0.5749 -0.9997 3188243 PK04_103253 CC(C)C(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M22 compound treatment -6.0E-4 8.15E-4 0.03 -0.0027 -0.00216 -0.09 -0.04 -0.4263 3188244 PK04_103254 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccccc1OCCO)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M23 compound treatment -0.0146 -0.0132 -0.51 -0.0177 -0.0172 -0.7 -0.8604 -0.9881 3188245 PK04_103255 COCC(=C=CC[C@H](O)c1ccc(OCCO)cc1)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 M24 compound treatment -0.0226 -0.0212 -0.83 -0.0057 -0.00516 -0.21 -0.733 -0.8604 3070768 PK04_103256 COCC(=C)/C(=C/C[C@@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N01 compound treatment -0.0626 -0.0612 -2.38 -0.0417 -0.0412 -1.69 -2.8782 -0.9856 3188246 PK04_103257 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N02 compound treatment -0.0226 -0.0211 -0.82 -0.0227 -0.0222 -0.91 -1.2255 -0.9988 3188247 PK04_103258 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)CCCO)C(=O)OCCS(=O)(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N03 compound treatment -0.0035 -0.00213 -0.08 -0.0257 -0.0252 -1.03 -0.7889 -0.7615 3070772 PK04_103259 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N04 compound treatment -0.0306 -0.0291 -1.14 -0.0247 -0.0242 -0.99 -1.5038 -0.9977 3188248 PK04_103260 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N05 compound treatment -0.0086 -0.00713 -0.28 -0.0067 -0.0062 -0.25 -0.3761 -0.999 3188249 PK04_103261 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N06 compound treatment -0.0216 -0.0202 -0.79 -0.0067 -0.00616 -0.25 -0.7345 -0.8893 3188250 PK04_103262 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N07 compound treatment -0.0306 -0.0291 -1.14 -0.0107 -0.0102 -0.42 -1.0981 -0.9078 3070060 PK04_103263 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N08 compound treatment -0.0345 -0.0331 -1.29 -0.0047 -0.00416 -0.17 -1.0333 -0.7935 3188251 PK04_103264 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c3ccc(CN4CCCC4)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N09 mock treatment -0.0396 -0.0381 -1.49 -0.0247 -0.0242 -0.99 -1.7517 -0.9807 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N10 mock treatment -0.0026 -0.00114 -0.04 0.0053 0.0058 0.24 0.1368 0.5656 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N11 compound treatment -0.0376 -0.0362 -1.41 -0.0377 -0.0372 -1.52 -2.0747 -0.9992 3070061 PK04_103265 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N12 compound treatment -0.0056 -0.00413 -0.16 -0.0147 -0.0142 -0.58 -0.5243 -0.8705 3188252 PK04_103266 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N13 mock treatment 5.0E-4 0.00187 0.07 -0.0117 -0.0112 -0.46 -0.273 -0.5878 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N14 mock treatment 0.0034 0.00487 0.19 -0.0107 -0.0102 -0.42 -0.1614 -0.3518 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N15 compound treatment -0.0286 -0.0272 -1.06 -0.0017 -0.00116 -0.05 -0.7824 -0.738 3070062 PK04_103267 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N16 compound treatment -0.1231 -0.122 -4.74 -0.1039 -0.103 -4.24 -6.3474 -0.9984 3188253 PK04_103268 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N17 compound treatment -0.1086 -0.107 -4.18 -0.0807 -0.0802 -3.28 -5.2756 -0.9929 3070063 PK04_103269 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N18 compound treatment -0.0066 -0.00518 -0.2 -0.0087 -0.00816 -0.33 -0.3792 -0.9709 3188254 PK04_103270 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2ccc(CN3CCCC3)cc2)CCCO)C(=O)OCCS(=O)(=O)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N19 compound treatment -0.0306 -0.0292 -1.14 -0.0277 -0.0272 -1.11 -1.5909 -0.9999 3070064 PK04_103271 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N20 compound treatment -0.0456 -0.0442 -1.72 -0.0367 -0.0362 -1.48 -2.265 -0.9972 3188255 PK04_103272 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N21 compound treatment 0.0014 0.00282 0.11 -0.0237 -0.0232 -0.95 -0.5935 -0.6212 3070065 PK04_103273 CCCCC(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N22 compound treatment -0.4091 -0.408 -15.88 -0.2549 -0.254 -10.42 -18.602 -0.9791 3188256 PK04_103274 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2sc3ccccc3c2Cl)c4ccc(CN5CCCC5)cc4)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N23 compound treatment -0.0065 -0.00513 -0.2 -0.0187 -0.0182 -0.75 -0.6687 -0.8661 3070066 PK04_103275 CC(C)C(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 N24 compound treatment -0.4031 -0.402 -15.65 -0.2809 -0.28 -11.49 -19.1903 -0.9885 3188257 PK04_103276 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O01 compound treatment -0.0716 -0.0702 -2.73 -0.0267 -0.0262 -1.07 -2.6915 -0.9164 3188258 PK04_103277 CCCCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O02 compound treatment -0.1301 -0.129 -5.01 -0.1299 -0.129 -5.3 -7.2936 -0.9996 3070067 PK04_103278 CC(C)C(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O03 compound treatment 4.0E-4 0.00182 0.07 -0.0137 -0.0132 -0.54 -0.3324 -0.6095 3188259 PK04_103279 CC(C)C(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O04 compound treatment -0.0736 -0.0722 -2.81 -0.0837 -0.0832 -3.41 -4.3983 -0.9954 3188369 PK04_103280 CCCCC(=C)/C(=C/C[C@@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cnc3ccccc3c2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O05 compound treatment -0.0046 -0.00318 -0.12 -0.0207 -0.0202 -0.83 -0.6718 -0.8043 3070068 PK04_103281 COCC(=C=CC[C@H](O)c1cccc(OCCO)c1)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O06 compound treatment -0.0346 -0.0332 -1.29 -0.0427 -0.0422 -1.73 -2.136 -0.9898 3188370 PK04_103282 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O07 compound treatment -0.0326 -0.0312 -1.21 -0.0177 -0.0172 -0.7 -1.3563 -0.9662 3070069 PK04_103283 CCCCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O08 compound treatment -0.0186 -0.0172 -0.67 -0.0357 -0.0352 -1.44 -1.4922 -0.9392 3188371 PK04_103284 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccc(CO)o3)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O09 compound treatment -0.0816 -0.0802 -3.12 -0.0607 -0.0602 -2.47 -3.9522 -0.9931 3188372 PK04_103285 CC(C)C(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O10 compound treatment -0.0876 -0.0862 -3.36 -0.0917 -0.0912 -3.74 -5.0158 -0.9986 3070070 PK04_103286 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(CO)o2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O11 mock treatment -0.0166 -0.0152 -0.59 -0.0237 -0.0232 -0.95 -1.0905 -0.974 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O12 mock treatment -0.0236 -0.0222 -0.86 -0.0427 -0.0422 -1.73 -1.8328 -0.9488 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O13 compound treatment -0.0476 -0.0462 -1.8 -0.0287 -0.0282 -1.15 -2.0883 -0.9769 3188373 PK04_103287 COCC(=C=CC[C@H](O)c1ccccc1OCCO)C[C@H](O)c2ccccn2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O14 compound treatment -0.0326 -0.0312 -1.21 -0.0337 -0.0332 -1.36 -1.8199 -0.9984 3188374 PK04_103288 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3ccccc3OCCO)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O15 compound treatment -6.0E-4 8.15E-4 0.03 -0.0287 -0.0282 -1.15 -0.7934 -0.6874 3070071 PK04_103289 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O16 compound treatment -0.0136 -0.0121 -0.47 -0.0047 -0.00416 -0.17 -0.4547 -0.9049 3188375 PK04_103290 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccccc2OCCO)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O17 compound treatment -0.0166 -0.0152 -0.59 -0.0157 -0.0152 -0.62 -0.8575 -0.9997 3070072 PK04_103291 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2ccc(OCCO)cc2)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O18 compound treatment -0.1931 -0.192 -7.47 -0.0727 -0.0722 -2.96 -7.3717 -0.9178 3188376 PK04_103292 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O19 compound treatment -0.0376 -0.0362 -1.41 -0.0407 -0.0402 -1.65 -2.1605 -0.997 3188377 PK04_103293 COCC(=C)/C(=C/C[C@H](OC(=O)C)c1ccc(OCCO)cc1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O20 compound treatment -0.0406 -0.0392 -1.53 -0.0337 -0.0332 -1.36 -2.0403 -0.9983 3070073 PK04_103294 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@@H](OC(=O)c2ccncc2)c3cccc(OCCO)c3)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O21 compound treatment -0.0056 -0.00418 -0.16 -0.0307 -0.0302 -1.24 -0.9891 -0.7935 3188378 PK04_103295 CCCCC(=C)/C(=C/C[C@H](OC(=O)C)c1cccc(OCCO)c1)/c2cc(ccc2OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O22 compound treatment -0.0056 -0.00418 -0.16 -0.0227 -0.0222 -0.91 -0.7573 -0.821 3188379 PK04_103296 CCCCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2cccc(OCCO)c2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O23 compound treatment 0.0044 0.00582 0.23 -0.0257 -0.0252 -1.03 -0.5688 -0.5388 3070074 PK04_103297 COC(=O)c1ccc(OC)c(c1)/C(=C\C[C@H](OC(=O)C)c2cccc(OCCO)c2)/C(=C)C(C)C 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 O24 compound treatment -0.0166 -0.0152 -0.59 -0.0317 -0.0312 -1.28 -1.3223 -0.9387 3188380 PK04_103298 COCC(=C)/C(=C/C[C@@H](OC(=O)c1ccncc1)c2ccc(OCCO)cc2)/c3cc(ccc3OC)C(=O)OC 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P01 compound treatment -0.1931 -0.192 -7.47 -0.1619 -0.161 -6.61 -9.9565 -0.9982 3070075 PK04_103299 COCC(=C=CC[C@@H](O)c1ccc(CO)o1)CCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P02 compound treatment -0.1131 -0.112 -4.35 -0.0987 -0.0982 -4.02 -5.9212 -0.9992 3188381 PK04_103300 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)c3ccc(CO)cc3 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P03 compound treatment -0.0496 -0.0482 -1.88 -0.0337 -0.0332 -1.36 -2.2883 -0.9874 3188382 PK04_103301 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P04 compound treatment -0.0446 -0.0432 -1.68 -0.0467 -0.0462 -1.89 -2.5272 -0.9983 3070118 PK04_103302 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P05 compound treatment -0.0336 -0.0322 -1.25 -0.0457 -0.0452 -1.85 -2.1952 -0.982 3188383 PK04_103303 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P06 compound treatment -0.0956 -0.0942 -3.67 -0.0947 -0.0942 -3.86 -5.3232 -0.9997 3070119 PK04_103304 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cccc(OC(F)(F)F)c3)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P07 compound treatment -0.0506 -0.0492 -1.92 -0.0337 -0.0332 -1.36 -2.317 -0.9859 3188384 PK04_103305 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P08 compound treatment -0.1271 -0.126 -4.9 -0.0927 -0.0922 -3.78 -6.133 -0.9918 3188385 PK04_103306 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3ccc(CN4CCCC4)cc3)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P09 compound treatment -0.0316 -0.0302 -1.18 -0.0487 -0.0482 -1.97 -2.227 -0.9694 3070120 PK04_103307 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P10 compound treatment -0.1511 -0.15 -5.83 -0.1469 -0.146 -6.0 -8.3648 -0.9999 3188386 PK04_103308 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P11 mock treatment -0.0365 -0.0351 -1.37 -0.0427 -0.0422 -1.73 -2.1907 -0.9933 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P12 mock treatment -0.0205 -0.0191 -0.75 -0.0187 -0.0182 -0.75 -1.0544 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P13 compound treatment -0.0606 -0.0592 -2.31 -0.0597 -0.0592 -2.42 -3.3447 -0.9997 3070121 PK04_103309 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P14 compound treatment -0.0896 -0.0882 -3.44 -0.0847 -0.0842 -3.45 -4.8681 -1.0 3188387 PK04_103310 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P15 compound treatment -0.0416 -0.0402 -1.57 -0.0357 -0.0352 -1.44 -2.1258 -0.9991 3188388 PK04_103311 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P16 compound treatment -0.1221 -0.121 -4.7 -0.0897 -0.0892 -3.65 -5.9083 -0.9922 3070122 PK04_103312 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2ccc(CN3CCCC3)cc2)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P17 compound treatment -0.0256 -0.0242 -0.94 -0.0497 -0.0492 -2.02 -2.0919 -0.94 3188389 PK04_103313 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P18 compound treatment -0.0876 -0.0862 -3.36 -0.0617 -0.0612 -2.51 -4.1465 -0.9896 3188390 PK04_103314 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P19 compound treatment -0.1241 -0.123 -4.78 -0.0707 -0.0702 -2.88 -5.4129 -0.9704 3070123 PK04_103315 CC(C)C(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P20 compound treatment -0.0666 -0.0652 -2.54 -0.0717 -0.0712 -2.92 -3.8577 -0.9976 3188503 PK04_103316 COP(=O)(OC)/N=C\1/CC(=CC(C)N1Cc2cccc(OC(F)(F)F)c2)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P21 compound treatment -0.0316 -0.0302 -1.18 -0.0227 -0.0222 -0.91 -1.4736 -0.9918 3188504 PK04_103317 COCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)COCc2ccccc2 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P22 compound treatment -0.1251 -0.124 -4.82 -0.1007 -0.1 -4.1 -6.3097 -0.9968 3070124 PK04_103318 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4ccc(CN5CCCC5)cc4)CCCO 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P23 compound treatment -0.0526 -0.0512 -1.99 -0.0357 -0.0352 -1.44 -2.4289 -0.9873 3188505 PK04_103319 CCCCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.2103 P24 compound treatment -0.0666 -0.0652 -2.54 -0.0777 -0.0772 -3.16 -4.0316 -0.9941 3188506 PK04_103320 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)c5ccc(CO)cc5 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A01 mock treatment -0.0208 -0.0208 -0.81 0.0102 0.0103 0.42 -0.2743 -0.3008 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A02 mock treatment 0.0132 0.0132 0.51 0.0052 0.00528 0.22 0.5166 0.9258 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A03 mock treatment -0.0288 -0.0288 -1.12 -0.0218 -0.0218 -0.89 -1.4232 -0.9936 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A04 mock treatment -0.0218 -0.0218 -0.85 -0.0238 -0.0238 -0.97 -1.2883 -0.9976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A05 mock treatment -0.0018 -0.0018 -0.07 -8.0E-4 -7.25E-4 -0.03 -0.0705 -0.9272 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A06 mock treatment -0.0168 -0.0168 -0.65 -0.0188 -0.0188 -0.77 -1.0057 -0.9967 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A07 mock treatment -0.0308 -0.0308 -1.2 -0.0258 -0.0258 -1.06 -1.5942 -0.998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A08 mock treatment -0.0118 -0.0118 -0.46 -0.0118 -0.0118 -0.48 -0.6651 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A09 mock treatment 0.0042 0.0042 0.16 0.0082 0.00828 0.34 0.3556 0.9442 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A10 mock treatment -0.0058 -0.00577 -0.22 -0.0088 -0.00876 -0.36 -0.4128 -0.9745 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A11 mock treatment 0.0032 0.0032 0.12 0.0032 0.00328 0.13 0.1832 0.9993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A12 mock treatment 0.0062 0.0062 0.24 2.0E-4 2.75E-4 0.01 0.1789 0.7393 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A13 mock treatment -0.0128 -0.0128 -0.5 -0.0088 -0.00876 -0.36 -0.6057 -0.9872 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A14 mock treatment -0.0098 -0.00977 -0.38 -0.0178 -0.0177 -0.73 -0.7833 -0.9543 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A15 mock treatment -0.0058 -0.00577 -0.22 -0.0018 -0.00172 -0.07 -0.2088 -0.8867 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A16 mock treatment 0.0012 0.0012 0.05 -8.0E-4 -7.25E-4 -0.03 0.0122 0.219 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A17 mock treatment -0.0168 -0.0168 -0.65 -0.0128 -0.0128 -0.52 -0.8318 -0.9939 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A18 mock treatment -0.0028 -0.00277 -0.11 -0.0078 -0.00776 -0.32 -0.3012 -0.8966 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A19 mock treatment -0.0078 -0.00777 -0.3 2.0E-4 2.75E-4 0.01 -0.206 -0.6803 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A20 mock treatment -0.0188 -0.0188 -0.73 -0.0108 -0.0108 -0.44 -0.8289 -0.9707 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A21 mock treatment -0.0018 -0.0018 -0.07 0.0062 0.00628 0.26 0.1324 0.4966 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A22 mock treatment -0.0108 -0.0108 -0.42 -0.0078 -0.00776 -0.32 -0.5216 -0.9907 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A23 mock treatment -0.0028 -0.0028 -0.11 0.0032 0.00328 0.13 0.018 0.1041 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base A24 mock treatment -0.0208 -0.0208 -0.81 -0.0258 -0.0258 -1.06 -1.3187 -0.9914 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B01 mock treatment 0.0012 0.0012 0.05 0.0112 0.0113 0.46 0.3598 0.7748 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B02 mock treatment 0.0052 0.00521 0.2 -0.0018 -0.00172 -0.07 0.0935 0.4351 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B03 mock treatment 0.0192 0.0192 0.75 0.0202 0.0202 0.83 1.1162 0.9987 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B04 mock treatment 2.0E-4 2.04E-4 0.01 -0.0018 -0.00172 -0.07 -0.0444 -0.6237 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B05 mock treatment 0.0152 0.0152 0.59 0.0132 0.0133 0.54 0.8044 0.9991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B06 mock treatment 0.0042 0.0042 0.16 0.0012 0.00128 0.05 0.1528 0.8886 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B07 mock treatment -0.0038 -0.0038 -0.15 2.0E-4 2.8E-4 0.01 -0.0965 -0.6503 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B08 mock treatment 0.0202 0.0202 0.79 0.0182 0.0182 0.75 1.0858 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B09 mock treatment 0.0202 0.0202 0.79 0.0172 0.0172 0.71 1.0568 0.9985 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B10 mock treatment 0.0152 0.0152 0.59 0.0132 0.0132 0.54 0.8032 0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B11 mock treatment 0.0092 0.0092 0.36 0.0092 0.00928 0.38 0.5223 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B12 mock treatment 0.0102 0.0102 0.4 0.0072 0.00727 0.3 0.4927 0.9897 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B13 mock treatment 0.0192 0.0192 0.75 0.0232 0.0232 0.95 1.2031 0.993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B14 mock treatment 0.0052 0.00523 0.2 0.0032 0.00327 0.13 0.239 0.9794 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B15 mock treatment 0.0042 0.0042 0.16 0.0072 0.00728 0.3 0.3266 0.9602 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B16 mock treatment 0.0032 0.0032 0.12 0.0012 0.00127 0.05 0.1251 0.9252 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B17 mock treatment 0.0122 0.0122 0.48 0.0112 0.0112 0.46 0.6625 0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B18 mock treatment 0.0092 0.00923 0.36 0.0072 0.00727 0.3 0.4651 0.9956 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B19 mock treatment 0.0112 0.0112 0.44 0.0162 0.0162 0.67 0.7799 0.9793 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B20 mock treatment 0.0122 0.0122 0.48 0.0182 0.0182 0.75 0.8654 0.9764 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B21 mock treatment 0.0262 0.0262 1.02 0.0262 0.0262 1.08 1.483 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B22 mock treatment -0.0228 -0.0228 -0.89 -0.0028 -0.00272 -0.11 -0.707 -0.7898 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B23 mock treatment -0.0038 -0.0038 -0.15 0.0022 0.00228 0.09 -0.0386 -0.2205 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base B24 mock treatment 0.0042 0.0042 0.16 0.0032 0.00328 0.13 0.2107 0.9951 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C01 mock treatment -0.0038 -0.0038 -0.15 -0.0068 -0.00673 -0.28 -0.2995 -0.9574 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C02 mock treatment -0.0108 -0.0108 -0.42 -0.0078 -0.00776 -0.32 -0.5216 -0.9907 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C03 mock treatment -0.0078 -0.00777 -0.3 -0.0018 -0.00172 -0.07 -0.2639 -0.8494 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C04 mock treatment -0.0168 -0.0168 -0.65 -0.0168 -0.0168 -0.69 -0.9477 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C05 mock treatment -0.0168 -0.0168 -0.65 -0.0148 -0.0148 -0.61 -0.8898 -0.9993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C06 mock treatment 0.0012 0.0012 0.05 0.0022 0.00228 0.09 0.0991 0.9495 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C07 mock treatment -0.0058 -0.0058 -0.23 0.0062 0.00628 0.26 0.0222 0.0647 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C08 mock treatment 0.0082 0.0082 0.32 0.0122 0.0123 0.5 0.5817 0.976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C09 mock treatment 0.0032 0.0032 0.12 -8.0E-4 -7.25E-4 -0.03 0.0673 0.5242 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C10 mock treatment 0.0022 0.0022 0.09 0.0022 0.00228 0.09 0.1266 0.9992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C11 mock treatment -0.0038 -0.0038 -0.15 2.0E-4 2.75E-4 0.01 -0.0966 -0.6513 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C12 mock treatment -8.0E-4 -7.96E-4 -0.03 -0.0018 -0.00172 -0.07 -0.0719 -0.9316 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C13 mock treatment 2.0E-4 2.04E-4 0.01 0.0072 0.00728 0.3 0.2164 0.7257 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C14 mock treatment -8.0E-4 -7.94E-4 -0.03 0.0082 0.00828 0.34 0.2179 0.6399 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C15 mock treatment 0.0022 0.0022 0.09 0.0062 0.00628 0.26 0.2427 0.8946 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C16 mock treatment 2.0E-4 2.04E-4 0.01 2.0E-4 2.75E-4 0.01 0.0136 0.9853 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C17 mock treatment 0.0082 0.0082 0.32 0.0082 0.00824 0.34 0.4646 0.9996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C18 mock treatment 0.0022 0.0022 0.09 0.0022 0.00227 0.09 0.1265 0.9992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C19 mock treatment 0.0062 0.0062 0.24 0.0132 0.0132 0.54 0.5543 0.9337 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C20 mock treatment 2.0E-4 2.04E-4 0.01 0.0042 0.00428 0.18 0.1295 0.7384 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C21 mock treatment 0.0062 0.0062 0.24 0.0142 0.0142 0.58 0.5834 0.9239 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C22 mock treatment -0.0068 -0.0068 -0.26 -0.0058 -0.00572 -0.23 -0.3532 -0.9982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C23 mock treatment -0.0188 -0.0188 -0.73 -0.0128 -0.0128 -0.52 -0.8869 -0.9865 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base C24 mock treatment -0.0038 -0.0038 -0.15 -0.0038 -0.00373 -0.15 -0.2126 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D01 mock treatment -0.0048 -0.0048 -0.19 -0.0048 -0.00472 -0.19 -0.269 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D02 mock treatment 0.0012 0.0012 0.05 2.0E-4 2.75E-4 0.01 0.0411 0.8528 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D03 mock treatment -8.0E-4 -7.96E-4 -0.03 0.0042 0.00428 0.18 0.1021 0.5732 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D04 mock treatment 0.0212 0.0212 0.83 0.0122 0.0122 0.5 0.9395 0.9712 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D05 mock treatment 0.0012 0.0012 0.05 -8.0E-4 -7.22E-4 -0.03 0.0122 0.2205 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D06 mock treatment -0.0068 -0.00677 -0.26 -0.0178 -0.0178 -0.73 -0.7012 -0.9056 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D07 mock treatment -0.0058 -0.0058 -0.23 0.0012 0.00128 0.05 -0.1226 -0.5288 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D08 mock treatment 0.0122 0.0122 0.48 0.0062 0.00628 0.26 0.518 0.9584 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D09 mock treatment -0.0088 -0.00877 -0.34 -0.0128 -0.0128 -0.52 -0.6114 -0.9787 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D10 mock treatment 0.0012 0.0012 0.05 -0.0068 -0.00676 -0.28 -0.1629 -0.5792 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D11 mock treatment 0.0132 0.0132 0.52 0.0102 0.0103 0.42 0.6623 0.9949 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D12 mock treatment 0.0062 0.0062 0.24 0.0012 0.00128 0.05 0.2079 0.8406 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D13 mock treatment -0.0038 -0.0038 -0.15 -0.0068 -0.00672 -0.28 -0.2995 -0.9574 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D14 mock treatment 0.0252 0.0252 0.98 0.0202 0.0202 0.83 1.2815 0.9964 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D15 mock treatment -0.0138 -0.0138 -0.54 -0.0058 -0.00576 -0.24 -0.5463 -0.9322 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D16 mock treatment 0.0152 0.0152 0.59 0.0052 0.00528 0.22 0.5725 0.9064 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D17 mock treatment 0.0082 0.00823 0.32 0.0102 0.0102 0.42 0.5234 0.9912 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D18 mock treatment 0.0092 0.0092 0.36 0.0032 0.00328 0.13 0.3485 0.9101 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D19 mock treatment 0.0022 0.0022 0.09 0.0042 0.00428 0.18 0.1847 0.946 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D20 mock treatment -0.0078 -0.0078 -0.3 -0.0038 -0.00372 -0.15 -0.3228 -0.9493 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D21 mock treatment 0.0032 0.0032 0.12 0.0082 0.00827 0.34 0.328 0.9079 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D22 mock treatment -0.0048 -0.0048 -0.19 0.0012 0.00128 0.05 -0.0952 -0.4906 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D23 mock treatment -8.0E-4 -7.96E-4 -0.03 0.0122 0.0122 0.5 0.3326 0.6621 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base D24 mock treatment 0.0102 0.0102 0.4 0.0162 0.0162 0.67 0.7523 0.97 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E01 mock treatment 0.0102 0.0102 0.4 0.0172 0.0172 0.71 0.7805 0.963 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E02 mock treatment 0.0102 0.0102 0.4 0.0142 0.0142 0.58 0.6936 0.9825 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E03 mock treatment 0.0032 0.0032 0.12 0.0092 0.00928 0.38 0.357 0.8924 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E04 mock treatment -0.0018 -0.0018 -0.07 0.0022 0.00228 0.09 0.0166 0.142 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E05 mock treatment 0.0132 0.0132 0.52 0.0152 0.0152 0.62 0.8061 0.9955 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E06 mock treatment 0.0162 0.0162 0.63 0.0142 0.0142 0.58 0.8597 0.9992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E07 mock treatment 0.0122 0.0122 0.48 0.0222 0.0222 0.91 0.9813 0.9543 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E08 mock treatment 0.0202 0.0202 0.79 0.0202 0.0202 0.83 1.1438 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E09 mock treatment 0.0092 0.0092 0.36 0.0152 0.0152 0.62 0.695 0.9653 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E10 mock treatment 0.0302 0.0302 1.18 0.0262 0.0262 1.08 1.5931 0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E11 mock treatment 0.0142 0.0142 0.55 0.0162 0.0162 0.67 0.8617 0.9958 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E12 mock treatment 0.0012 0.00121 0.05 2.0E-4 2.75E-4 0.01 0.0412 0.8526 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E13 mock treatment 0.0132 0.0132 0.51 0.0132 0.0132 0.54 0.7472 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E14 mock treatment 0.0132 0.0132 0.52 0.0162 0.0162 0.67 0.835 0.992 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E15 mock treatment 0.0192 0.0192 0.75 0.0192 0.0192 0.79 1.0872 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E16 mock treatment 0.0162 0.0162 0.63 0.0152 0.0152 0.62 0.8887 1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E17 mock treatment 0.0212 0.0212 0.83 0.0282 0.0282 1.16 1.4032 0.9865 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E18 mock treatment 0.0152 0.0152 0.59 0.0232 0.0232 0.95 1.093 0.9741 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E19 mock treatment 0.0142 0.0142 0.55 0.0212 0.0212 0.87 1.0074 0.9763 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E20 mock treatment 0.0182 0.0182 0.71 0.0222 0.0222 0.91 1.1467 0.9924 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E21 mock treatment 0.0172 0.0172 0.67 0.0232 0.0232 0.95 1.148 0.9854 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E22 mock treatment 0.0062 0.0062 0.24 0.0112 0.0112 0.46 0.4964 0.9547 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E23 mock treatment 0.0012 0.0012 0.05 0.0142 0.0142 0.58 0.4456 0.7615 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base E24 mock treatment 0.0252 0.0252 0.98 0.0282 0.0282 1.16 1.5134 0.9967 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F01 mock treatment -0.0038 -0.0038 -0.15 -8.0E-4 -7.25E-4 -0.03 -0.1256 -0.8325 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F02 mock treatment -0.0058 -0.00577 -0.22 -0.0088 -0.00876 -0.36 -0.4128 -0.9745 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F03 mock treatment 0.0112 0.0112 0.44 0.0152 0.0152 0.62 0.7501 0.9847 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F04 mock treatment 0.0172 0.0172 0.67 0.0142 0.0142 0.58 0.8873 0.9975 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F05 mock treatment 0.0052 0.00521 0.2 -8.0E-4 -7.25E-4 -0.03 0.1225 0.5972 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F06 mock treatment 0.0162 0.0162 0.63 0.0082 0.00828 0.34 0.687 0.9573 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F07 mock treatment -0.0018 -0.0018 -0.07 -0.0038 -0.00372 -0.15 -0.1574 -0.9375 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F08 mock treatment 0.0262 0.0262 1.02 0.0122 0.0122 0.5 1.0772 0.9462 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F09 mock treatment 0.0202 0.0202 0.79 0.0172 0.0172 0.71 1.0569 0.9985 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F10 mock treatment 0.0152 0.0152 0.59 0.0052 0.00528 0.22 0.5725 0.9064 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F11 mock treatment 0.0082 0.0082 0.32 0.0042 0.00428 0.18 0.3499 0.9599 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F12 mock treatment 2.0E-4 2.04E-4 0.01 -0.0298 -0.0297 -1.22 -0.8552 -0.7025 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F13 mock treatment 0.0172 0.0172 0.67 -0.132 -0.132 -5.41 -3.3487 -0.6146 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F14 mock treatment 0.0322 0.0322 1.26 0.0232 0.0232 0.95 1.5613 0.9907 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F15 mock treatment 0.0262 0.0262 1.02 0.0272 0.0272 1.12 1.5119 0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F16 mock treatment 0.0202 0.0202 0.79 0.0262 0.0262 1.08 1.3177 0.9884 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F17 mock treatment 0.0182 0.0182 0.71 0.0092 0.00924 0.38 0.7699 0.9565 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F18 mock treatment 0.0312 0.0312 1.22 0.0232 0.0232 0.95 1.5338 0.9926 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F19 mock treatment 0.0082 0.0082 0.32 0.0072 0.00724 0.3 0.4357 0.9993 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F20 mock treatment 0.0162 0.0162 0.63 0.0192 0.0192 0.79 1.0046 0.994 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F21 mock treatment 0.0132 0.0132 0.52 0.0182 0.0182 0.75 0.8929 0.9836 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F22 mock treatment 0.0152 0.0152 0.59 0.0132 0.0132 0.54 0.8032 0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F23 mock treatment -0.0138 -0.0138 -0.54 -0.0088 -0.00876 -0.36 -0.6332 -0.981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base F24 mock treatment 0.0262 0.0262 1.02 0.0232 0.0232 0.95 1.396 0.9994 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G01 mock treatment -0.0098 -0.00977 -0.38 -0.0098 -0.00976 -0.4 -0.552 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G02 mock treatment 0.0032 0.0032 0.12 0.0012 0.00128 0.05 0.1252 0.9253 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G03 mock treatment -0.0088 -0.00877 -0.34 -0.0028 -0.00272 -0.11 -0.3205 -0.8918 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G04 mock treatment -0.0048 -0.0048 -0.19 -0.0018 -0.00172 -0.07 -0.1821 -0.9116 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G05 mock treatment 0.0012 0.0012 0.05 0.0052 0.00528 0.22 0.186 0.841 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G06 mock treatment -8.0E-4 -7.98E-4 -0.03 0.0032 0.00328 0.13 0.0729 0.5293 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G07 mock treatment 0.0052 0.0052 0.2 0.0102 0.0102 0.42 0.4399 0.9443 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G08 mock treatment -0.0048 -0.0048 -0.19 -0.0118 -0.0118 -0.48 -0.4731 -0.9149 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G09 mock treatment 0.0132 0.0132 0.51 0.0082 0.00827 0.34 0.6035 0.9795 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G10 mock treatment 0.0162 0.0162 0.63 0.0072 0.00724 0.3 0.6561 0.9406 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G11 mock treatment -0.0238 -0.0238 -0.93 -0.0108 -0.0108 -0.44 -0.9667 -0.9425 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G12 mock treatment 0.0122 0.0122 0.48 0.0062 0.00628 0.26 0.5189 0.9581 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G13 mock treatment -0.0218 -0.0218 -0.85 -0.0048 -0.00472 -0.19 -0.7365 -0.8466 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G14 mock treatment -0.0158 -0.0158 -0.61 -0.0018 -0.00172 -0.07 -0.4842 -0.7832 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G15 mock treatment 0.0012 0.0012 0.05 0.0092 0.00924 0.38 0.3007 0.7886 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G16 mock treatment -0.0178 -0.0178 -0.69 -0.0148 -0.0148 -0.61 -0.9173 -0.9978 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G17 mock treatment 0.0012 0.00123 0.05 0.0032 0.00328 0.13 0.1289 0.9041 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G18 mock treatment -0.0048 -0.0048 -0.19 -0.0048 -0.00473 -0.19 -0.2691 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G19 mock treatment -0.0208 -0.0208 -0.81 -0.0088 -0.00872 -0.36 -0.8249 -0.9326 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G20 mock treatment -0.0058 -0.0058 -0.23 0.0012 0.00127 0.05 -0.1228 -0.5298 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G21 mock treatment -0.0168 -0.0168 -0.65 -0.0088 -0.00876 -0.36 -0.7159 -0.9603 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G22 mock treatment -0.0098 -0.00977 -0.38 -0.0078 -0.00772 -0.32 -0.4929 -0.9958 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G23 mock treatment -0.0118 -0.0118 -0.46 -8.0E-4 -7.25E-4 -0.03 -0.3452 -0.7514 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base G24 mock treatment -0.0148 -0.0148 -0.58 -0.0178 -0.0178 -0.73 -0.9216 -0.9932 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H01 mock treatment -0.0088 -0.00877 -0.34 -0.0098 -0.00973 -0.4 -0.5234 -0.997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H02 mock treatment 0.0172 0.0172 0.67 0.0132 0.0132 0.54 0.8583 0.9944 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H03 mock treatment -0.0108 -0.0108 -0.42 -0.0118 -0.0118 -0.48 -0.6375 -0.9976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H04 mock treatment 0.0042 0.0042 0.16 -0.0018 -0.00172 -0.07 0.0658 0.369 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H05 mock treatment 0.0122 0.0122 0.48 0.0012 0.00128 0.05 0.3733 0.7804 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H06 mock treatment -8.0E-4 -7.96E-4 -0.03 -0.0088 -0.00872 -0.36 -0.2748 -0.7656 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H07 mock treatment 0.0162 0.0162 0.63 0.0102 0.0102 0.42 0.7438 0.9801 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H08 mock treatment 0.0062 0.0062 0.24 -0.0058 -0.00573 -0.23 0.0049 0.0146 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H09 mock treatment -0.0038 -0.0038 -0.15 -0.0108 -0.0108 -0.44 -0.4165 -0.8952 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H10 mock treatment 0.0292 0.0292 1.14 0.0172 0.0172 0.71 1.3048 0.9736 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H11 mock treatment 0.0032 0.00321 0.12 -0.0028 -0.00272 -0.11 0.0094 0.0562 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H12 mock treatment -0.0078 -0.00777 -0.3 -0.0178 -0.0178 -0.73 -0.7288 -0.9243 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H13 mock treatment -0.0118 -0.0118 -0.46 -0.0178 -0.0178 -0.73 -0.8389 -0.9751 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H14 mock treatment 0.0082 0.00823 0.32 2.0E-4 2.78E-4 0.01 0.2349 0.7317 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H15 mock treatment 2.0E-4 2.04E-4 0.01 0.0012 0.00128 0.05 0.0426 0.8053 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H16 mock treatment -0.0228 -0.0228 -0.89 -0.0018 -0.00172 -0.07 -0.6778 -0.7609 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H17 mock treatment -0.0078 -0.00777 -0.3 -0.0048 -0.00472 -0.19 -0.3509 -0.9767 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H18 mock treatment -0.0098 -0.00977 -0.38 -0.0168 -0.0168 -0.69 -0.7549 -0.9611 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H19 mock treatment -0.0068 -0.0068 -0.26 -0.0028 -0.00273 -0.11 -0.2662 -0.9264 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H20 mock treatment -0.0098 -0.0098 -0.38 -0.0068 -0.00672 -0.28 -0.4648 -0.9872 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H21 mock treatment -0.0048 -0.0048 -0.19 -0.0038 -0.00372 -0.15 -0.2401 -0.995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H22 mock treatment 2.0E-4 2.04E-4 0.01 -8.0E-4 -7.25E-4 -0.03 -0.0154 -0.5005 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H23 mock treatment 0.0062 0.0062 0.24 0.0122 0.0122 0.5 0.5255 0.944 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base H24 mock treatment -0.0058 -0.0058 -0.23 -0.0028 -0.00272 -0.11 -0.2387 -0.9472 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I01 mock treatment -0.0018 -0.0018 -0.07 2.0E-4 2.78E-4 0.01 -0.0415 -0.5846 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I02 mock treatment 0.0012 0.0012 0.05 2.0E-4 2.75E-4 0.01 0.0411 0.8528 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I03 mock treatment -0.0018 -0.00179 -0.07 0.0012 0.00127 0.05 -0.0125 -0.1432 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I04 mock treatment -0.0158 -0.0158 -0.61 -0.0148 -0.0148 -0.61 -0.8622 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I05 mock treatment 0.0122 0.0122 0.48 0.0132 0.0132 0.54 0.7205 0.9979 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I06 mock treatment -0.0018 -0.0018 -0.07 -0.0038 -0.00373 -0.15 -0.1575 -0.9374 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I07 mock treatment 0.0052 0.0052 0.2 0.0132 0.0132 0.54 0.5269 0.9099 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I08 mock treatment -0.0188 -0.0188 -0.73 -0.0198 -0.0198 -0.81 -1.0897 -0.9987 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I09 mock treatment -0.0068 -0.0068 -0.26 -0.0078 -0.00773 -0.32 -0.4111 -0.996 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I10 mock treatment 0.0112 0.0112 0.44 0.0082 0.00827 0.34 0.5484 0.9922 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I11 mock treatment -0.0018 -0.0018 -0.07 0.0122 0.0123 0.5 0.3062 0.6029 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I12 mock treatment -0.0048 -0.0048 -0.19 -0.0078 -0.00773 -0.32 -0.3561 -0.9684 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I13 mock treatment -8.0E-4 -7.98E-4 -0.03 0.0042 0.00428 0.18 0.1019 0.5727 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I14 mock treatment -0.0078 -0.0078 -0.3 -0.0068 -0.00673 -0.28 -0.4097 -0.9988 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I15 mock treatment -0.0048 -0.0048 -0.19 2.0E-4 2.75E-4 0.01 -0.1242 -0.6632 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I16 mock treatment -0.0108 -0.0108 -0.42 -0.0138 -0.0138 -0.56 -0.6955 -0.9894 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I17 mock treatment -0.0138 -0.0138 -0.54 -0.0128 -0.0128 -0.52 -0.7492 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I18 mock treatment -0.0198 -0.0198 -0.77 -0.0108 -0.0108 -0.44 -0.8565 -0.965 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I19 mock treatment 0.0102 0.0102 0.4 0.0122 0.0122 0.5 0.6356 0.9934 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I20 mock treatment -0.0098 -0.0098 -0.38 -0.0068 -0.00672 -0.28 -0.4648 -0.9872 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I21 mock treatment -0.0248 -0.0248 -0.96 -0.0158 -0.0158 -0.65 -1.1392 -0.981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I22 mock treatment -0.0028 -0.00279 -0.11 0.0012 0.00128 0.05 -0.04 -0.3312 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I23 mock treatment -0.0048 -0.0048 -0.19 0.0052 0.00528 0.22 0.0207 0.0725 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base I24 mock treatment -0.0338 -0.0338 -1.32 -0.0278 -0.0278 -1.14 -1.7348 -0.9974 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J01 mock treatment -0.0118 -0.0118 -0.46 -0.0148 -0.0148 -0.61 -0.752 -0.9906 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J02 mock treatment 0.0032 0.0032 0.12 -0.0038 -0.00372 -0.15 -0.0197 -0.0998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J03 mock treatment -0.0238 -0.0238 -0.93 -0.0198 -0.0198 -0.81 -1.2275 -0.9978 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J04 mock treatment -0.0018 -0.0018 -0.07 -8.0E-4 -7.25E-4 -0.03 -0.0705 -0.9272 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J05 mock treatment 0.0032 0.0032 0.12 -0.0058 -0.00572 -0.23 -0.0777 -0.2924 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J06 mock treatment 0.0112 0.0112 0.44 0.0072 0.00724 0.3 0.5191 0.982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J07 mock treatment -0.0098 -0.00977 -0.38 -0.0168 -0.0168 -0.69 -0.7549 -0.9612 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J08 mock treatment 2.0E-4 2.04E-4 0.01 -0.0078 -0.00772 -0.32 -0.2182 -0.6891 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J09 mock treatment -0.0028 -0.0028 -0.11 -0.0078 -0.00773 -0.32 -0.301 -0.8988 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J10 mock treatment 2.0E-4 2.06E-4 0.01 -0.0058 -0.00572 -0.23 -0.1602 -0.6826 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J11 mock treatment 0.0042 0.0042 0.16 -0.0048 -0.00472 -0.19 -0.0211 -0.0832 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J12 mock treatment 0.0052 0.0052 0.2 -8.0E-4 -7.22E-4 -0.03 0.1224 0.5976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J13 mock treatment -0.0078 -0.00777 -0.3 -0.0118 -0.0118 -0.48 -0.5549 -0.9748 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J14 mock treatment -0.0038 -0.0038 -0.15 -0.0058 -0.00573 -0.23 -0.2706 -0.9753 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J15 mock treatment -0.0068 -0.00677 -0.26 -0.0098 -0.00976 -0.4 -0.4694 -0.9795 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J16 mock treatment -0.0188 -0.0188 -0.73 -0.0248 -0.0248 -1.01 -1.2346 -0.9871 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J17 mock treatment -0.0158 -0.0158 -0.61 -0.0158 -0.0158 -0.65 -0.8912 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J18 mock treatment -0.0458 -0.0458 -1.78 -0.0098 -0.00972 -0.4 -1.5435 -0.8442 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J19 mock treatment -0.0098 -0.00977 -0.38 -0.0038 -0.00372 -0.15 -0.377 -0.9195 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J20 mock treatment -0.0088 -0.0088 -0.34 -0.0068 -0.00672 -0.28 -0.4372 -0.9942 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J21 mock treatment 0.0072 0.0072 0.28 0.0072 0.00727 0.3 0.4092 0.9995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J22 mock treatment -0.0188 -0.0188 -0.73 -0.0238 -0.0238 -0.97 -1.2056 -0.99 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J23 mock treatment -0.0218 -0.0218 -0.85 -0.0158 -0.0158 -0.65 -1.0565 -0.991 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base J24 mock treatment -8.0E-4 -7.98E-4 -0.03 0.0012 0.00127 0.05 0.0149 0.2454 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K01 mock treatment -0.0018 -0.0018 -0.07 -8.0E-4 -7.22E-4 -0.03 -0.0704 -0.9267 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K02 mock treatment -0.0118 -0.0118 -0.46 -0.0168 -0.0168 -0.69 -0.81 -0.9807 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K03 mock treatment -0.0118 -0.0118 -0.46 -0.0118 -0.0118 -0.48 -0.6651 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K04 mock treatment -0.0028 -0.0028 -0.11 2.0E-4 2.75E-4 0.01 -0.0691 -0.6306 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K05 mock treatment 0.0062 0.0062 0.24 0.0032 0.00328 0.13 0.2658 0.9615 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K06 mock treatment 2.0E-4 2.04E-4 0.01 -0.0058 -0.00572 -0.23 -0.1603 -0.6828 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K07 mock treatment 0.0112 0.0112 0.44 0.0142 0.0142 0.58 0.722 0.99 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K08 mock treatment 0.0032 0.0032 0.12 0.0042 0.00428 0.18 0.2121 0.9862 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K09 mock treatment -0.0138 -0.0138 -0.54 -0.0058 -0.00572 -0.23 -0.5451 -0.9312 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K10 mock treatment 0.0012 0.00121 0.05 -0.0018 -0.00172 -0.07 -0.0167 -0.1967 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K11 mock treatment -0.0088 -0.0088 -0.34 -0.0048 -0.00473 -0.19 -0.3793 -0.9635 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K12 mock treatment -0.0058 -0.0058 -0.23 -0.0058 -0.00572 -0.23 -0.3256 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K13 mock treatment -0.0058 -0.0058 -0.23 -0.0068 -0.00672 -0.28 -0.3546 -0.9951 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K14 mock treatment -0.0028 -0.00279 -0.11 -0.0078 -0.00772 -0.32 -0.3008 -0.8985 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K15 mock treatment -8.0E-4 -7.92E-4 -0.03 0.0032 0.00328 0.13 0.0731 0.5307 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K16 mock treatment 2.0E-4 2.04E-4 0.01 0.0042 0.00424 0.17 0.1283 0.7387 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K17 mock treatment -0.0128 -0.0128 -0.5 -0.0058 -0.00573 -0.23 -0.5177 -0.9412 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K18 mock treatment -0.0158 -0.0158 -0.61 -0.0188 -0.0188 -0.77 -0.9781 -0.9938 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K19 mock treatment -0.0198 -0.0198 -0.77 -0.0158 -0.0158 -0.65 -1.0014 -0.9962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K20 mock treatment -0.0668 -0.0668 -2.6 -0.0028 -0.00273 -0.11 -1.9192 -0.7368 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K21 mock treatment -0.0198 -0.0198 -0.77 -0.0198 -0.0198 -0.81 -1.1173 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K22 mock treatment -0.0038 -0.0038 -0.15 -0.0058 -0.00572 -0.23 -0.2705 -0.9753 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K23 mock treatment -0.0078 -0.0078 -0.3 -0.0108 -0.0107 -0.44 -0.5256 -0.9837 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base K24 mock treatment -0.0028 -0.0028 -0.11 -0.0028 -0.00272 -0.11 -0.156 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L01 mock treatment 0.0082 0.0082 0.32 0.0032 0.00328 0.13 0.3209 0.9257 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L02 mock treatment 0.0152 0.0152 0.59 0.0112 0.0112 0.46 0.7452 0.9921 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L03 mock treatment 0.0242 0.0242 0.94 0.0112 0.0112 0.46 0.9932 0.9455 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L04 mock treatment 0.0112 0.0112 0.44 0.0092 0.00928 0.38 0.5774 0.9976 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L05 mock treatment 0.0142 0.0142 0.55 0.0132 0.0132 0.54 0.7756 0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L06 mock treatment 2.0E-4 2.04E-4 0.01 -8.0E-4 -7.22E-4 -0.03 -0.0153 -0.4997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L07 mock treatment -0.0028 -0.00279 -0.11 2.0E-4 2.75E-4 0.01 -0.069 -0.6305 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L08 mock treatment -0.0028 -0.00279 -0.11 -0.0098 -0.00976 -0.4 -0.3599 -0.8678 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L09 mock treatment 0.0172 0.0172 0.67 0.0102 0.0102 0.42 0.7714 0.9743 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L10 mock treatment 0.0202 0.0202 0.79 0.0142 0.0142 0.58 0.9699 0.989 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L11 mock treatment 0.0242 0.0242 0.94 0.0152 0.0152 0.62 1.109 0.9798 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L12 mock treatment 0.0062 0.00623 0.24 0.0032 0.00328 0.13 0.2666 0.9609 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L13 mock treatment 0.0092 0.00923 0.36 0.0042 0.00428 0.18 0.3783 0.9453 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L14 mock treatment 0.0152 0.0152 0.59 0.0132 0.0132 0.54 0.8032 0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L15 mock treatment 0.0012 0.00121 0.05 0.0062 0.00628 0.26 0.2151 0.8228 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L16 mock treatment 0.0062 0.00623 0.24 0.0012 0.00128 0.05 0.2087 0.84 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L17 mock treatment 0.0202 0.0202 0.79 0.0142 0.0142 0.58 0.9699 0.989 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L18 mock treatment 0.0022 0.0022 0.09 0.0012 0.00128 0.05 0.0977 0.9716 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L19 mock treatment 0.0072 0.00723 0.28 0.0082 0.00827 0.34 0.439 0.9958 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L20 mock treatment -0.0038 -0.00379 -0.15 -0.0028 -0.00272 -0.11 -0.1833 -0.9904 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L21 mock treatment 0.0072 0.0072 0.28 2.0E-4 2.78E-4 0.01 0.2065 0.7352 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L22 mock treatment 0.0132 0.0132 0.52 0.0142 0.0142 0.58 0.7771 0.9981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L23 mock treatment 0.0122 0.0122 0.48 0.0162 0.0162 0.67 0.8074 0.9866 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base L24 mock treatment 0.0192 0.0192 0.75 0.0212 0.0212 0.87 1.1452 0.9972 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M01 mock treatment 0.0172 0.0172 0.67 0.0192 0.0192 0.79 1.0322 0.9968 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M02 mock treatment 0.0072 0.0072 0.28 0.0012 0.00128 0.05 0.2354 0.8246 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M03 mock treatment 0.0162 0.0162 0.63 0.0242 0.0242 0.99 1.1495 0.9763 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M04 mock treatment 0.0062 0.0062 0.24 0.0122 0.0122 0.5 0.5254 0.944 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M05 mock treatment 0.0112 0.0112 0.44 0.0132 0.0132 0.54 0.693 0.9943 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M06 mock treatment 0.0102 0.0102 0.4 0.0192 0.0192 0.79 0.8393 0.9501 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M07 mock treatment 0.0162 0.0162 0.63 0.0162 0.0162 0.67 0.9177 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M08 mock treatment -0.0018 -0.0018 -0.07 0.0032 0.00327 0.13 0.0453 0.2994 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M09 mock treatment 0.0112 0.0112 0.44 0.0092 0.00924 0.38 0.5771 0.9974 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M10 mock treatment -0.0178 -0.0178 -0.69 -0.0078 -0.00776 -0.32 -0.7145 -0.9378 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M11 mock treatment 0.0012 0.0012 0.05 2.0E-4 2.75E-4 0.01 0.0411 0.853 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M12 mock treatment -0.0048 -0.0048 -0.19 -0.0088 -0.00872 -0.36 -0.385 -0.9542 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M13 mock treatment -8.0E-4 -7.94E-4 -0.03 -8.0E-4 -7.25E-4 -0.03 -0.0429 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M14 mock treatment 0.0162 0.0162 0.63 0.0122 0.0123 0.5 0.8024 0.9935 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M15 mock treatment -0.0068 -0.0068 -0.26 -0.0058 -0.00573 -0.23 -0.3532 -0.9982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M16 mock treatment -0.0198 -0.0198 -0.77 -0.0208 -0.0208 -0.85 -1.1463 -0.9988 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M17 mock treatment 0.0172 0.0172 0.67 0.0132 0.0132 0.54 0.8583 0.9944 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M18 mock treatment 0.0172 0.0172 0.67 0.0182 0.0182 0.75 1.0032 0.9986 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M19 mock treatment 0.0092 0.00923 0.36 0.0142 0.0142 0.58 0.6668 0.973 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M20 mock treatment 0.0062 0.00623 0.24 0.0052 0.00524 0.21 0.3234 0.9981 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M21 mock treatment 0.0082 0.00823 0.32 0.0102 0.0102 0.42 0.5234 0.9912 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M22 mock treatment 0.0102 0.0102 0.4 0.0132 0.0132 0.54 0.6655 0.9885 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M23 mock treatment -0.0068 -0.0068 -0.26 -8.0E-4 -7.22E-4 -0.03 -0.2081 -0.7813 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base M24 mock treatment -0.0048 -0.0048 -0.19 -0.0418 -0.0417 -1.71 -1.3406 -0.7798 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N01 mock treatment 0.0042 0.0042 0.16 0.0032 0.00328 0.13 0.2107 0.9951 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N02 mock treatment -0.0108 -0.0108 -0.42 -0.0198 -0.0198 -0.81 -0.8694 -0.9531 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N03 mock treatment -0.0188 -0.0188 -0.73 -0.0198 -0.0198 -0.81 -1.0897 -0.9987 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N04 mock treatment -0.0118 -0.0118 -0.46 -0.0128 -0.0128 -0.52 -0.694 -0.9978 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N05 mock treatment 0.0052 0.0052 0.2 0.0032 0.00328 0.13 0.2383 0.9799 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N06 mock treatment -0.0048 -0.00479 -0.19 -8.0E-4 -7.25E-4 -0.03 -0.153 -0.8094 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N07 mock treatment 0.0022 0.0022 0.09 -0.0068 -0.00672 -0.28 -0.1342 -0.4648 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N08 mock treatment 2.0E-4 2.04E-4 0.01 -0.0048 -0.00472 -0.19 -0.1312 -0.6775 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N09 mock treatment -0.0228 -0.0228 -0.89 -0.0258 -0.0258 -1.06 -1.3738 -0.9962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N10 mock treatment 0.0072 0.00723 0.28 0.0012 0.00128 0.05 0.2362 0.8242 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N11 mock treatment -0.0218 -0.0218 -0.85 -0.0188 -0.0188 -0.77 -1.1434 -0.9988 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N12 mock treatment -0.0018 -0.0018 -0.07 -0.0038 -0.00372 -0.15 -0.1574 -0.9375 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N13 mock treatment -0.0088 -0.0088 -0.34 -0.0148 -0.0148 -0.61 -0.6702 -0.9638 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N14 mock treatment -0.0048 -0.0048 -0.19 -0.0118 -0.0117 -0.48 -0.4719 -0.9153 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N15 mock treatment 0.0142 0.0142 0.55 0.0102 0.0102 0.42 0.6887 0.9905 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N16 mock treatment -0.0078 -0.0078 -0.3 -0.0108 -0.0107 -0.44 -0.5256 -0.9837 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N17 mock treatment -0.0208 -0.0208 -0.81 -0.0228 -0.0228 -0.93 -1.2318 -0.9975 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N18 mock treatment -0.0038 -0.0038 -0.15 -0.0048 -0.00472 -0.19 -0.2414 -0.9912 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N19 mock treatment -0.0158 -0.0158 -0.61 -0.0168 -0.0168 -0.69 -0.9202 -0.9984 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N20 mock treatment 0.0082 0.00823 0.32 0.0012 0.00128 0.05 0.2638 0.8116 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N21 mock treatment -8.0E-4 -7.96E-4 -0.03 -0.0028 -0.00272 -0.11 -0.1009 -0.8706 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N22 mock treatment -0.0078 -0.0078 -0.3 -0.0098 -0.00976 -0.4 -0.4978 -0.9908 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N23 mock treatment -0.0068 -0.0068 -0.26 -0.0098 -0.00973 -0.4 -0.4691 -0.9803 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base N24 mock treatment 2.0E-4 2.04E-4 0.01 -8.0E-4 -7.25E-4 -0.03 -0.0154 -0.5005 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O01 mock treatment 0.0122 0.0122 0.48 0.0142 0.0142 0.58 0.7495 0.995 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O02 mock treatment -0.0518 -0.0518 -2.02 0.0072 0.00728 0.3 -1.216 -0.5962 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O03 mock treatment -0.0088 -0.0088 -0.34 -0.0018 -0.00172 -0.07 -0.2923 -0.8352 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O04 mock treatment 0.0072 0.0072 0.28 0.0062 0.00627 0.26 0.3802 0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O05 mock treatment 0.0032 0.0032 0.12 0.0052 0.00524 0.21 0.24 0.9668 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O06 mock treatment 0.0012 0.00123 0.05 0.0042 0.00427 0.18 0.1578 0.8691 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O07 mock treatment 0.0112 0.0112 0.44 0.0142 0.0142 0.58 0.722 0.99 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O08 mock treatment 0.0042 0.0042 0.16 -8.0E-4 -7.25E-4 -0.03 0.0948 0.5696 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O09 mock treatment -8.0E-4 -7.96E-4 -0.03 0.0052 0.00524 0.21 0.1298 0.5986 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O10 mock treatment -0.0168 -0.0168 -0.65 -0.0128 -0.0128 -0.52 -0.8318 -0.9939 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O11 mock treatment -0.0068 -0.0068 -0.26 -0.0058 -0.00573 -0.23 -0.3532 -0.9982 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O12 mock treatment -0.0168 -0.0168 -0.65 -0.0158 -0.0158 -0.65 -0.9187 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O13 mock treatment 0.0072 0.00723 0.28 0.0032 0.00324 0.13 0.293 0.9408 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O14 mock treatment 0.0062 0.00623 0.24 0.0042 0.00428 0.18 0.2956 0.9871 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O15 mock treatment 0.0052 0.00523 0.2 0.0052 0.00524 0.21 0.2959 0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O16 mock treatment 0.0132 0.0132 0.52 0.0122 0.0122 0.5 0.7191 0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O17 mock treatment 0.0062 0.00623 0.24 0.0032 0.00324 0.13 0.2655 0.9595 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O18 mock treatment -0.0178 -0.0178 -0.69 -0.0138 -0.0137 -0.56 -0.888 -0.9946 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O19 mock treatment -0.0038 -0.0038 -0.15 -0.0018 -0.00172 -0.07 -0.1545 -0.9427 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O20 mock treatment -0.0058 -0.00579 -0.23 -0.0068 -0.00672 -0.28 -0.3543 -0.9951 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O21 mock treatment 0.0052 0.0052 0.2 0.0022 0.00228 0.09 0.2093 0.9379 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O22 mock treatment 0.0112 0.0112 0.44 2.0E-4 2.75E-4 0.01 0.3175 0.7251 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O23 mock treatment -0.0068 -0.0068 -0.26 -0.0048 -0.00472 -0.19 -0.3241 -0.9882 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base O24 mock treatment -0.0228 -0.0228 -0.89 -0.0198 -0.0198 -0.81 -1.1999 -0.999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P01 mock treatment -0.0208 -0.0208 -0.81 -0.0258 -0.0258 -1.06 -1.3187 -0.9914 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P02 mock treatment -0.0018 -0.0018 -0.07 -0.0068 -0.00673 -0.28 -0.2444 -0.8593 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P03 mock treatment 0.0042 0.0042 0.16 2.0E-4 2.75E-4 0.01 0.1238 0.754 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P04 mock treatment -0.0158 -0.0158 -0.61 -0.0148 -0.0148 -0.61 -0.8622 -1.0 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P05 mock treatment -0.0208 -0.0208 -0.81 -0.0238 -0.0238 -0.97 -1.2608 -0.9957 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P06 mock treatment -0.0198 -0.0198 -0.77 -0.0238 -0.0238 -0.97 -1.2332 -0.9932 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P07 mock treatment -0.0168 -0.0168 -0.65 -0.0248 -0.0248 -1.01 -1.1796 -0.9773 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P08 mock treatment -0.0068 -0.0068 -0.26 -0.0118 -0.0117 -0.48 -0.527 -0.9606 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P09 mock treatment -0.0208 -0.0208 -0.81 -0.0288 -0.0288 -1.18 -1.4056 -0.9831 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P10 mock treatment -0.0178 -0.0178 -0.69 -0.0298 -0.0298 -1.22 -1.3521 -0.964 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P11 mock treatment -0.0328 -0.0328 -1.28 -0.0378 -0.0378 -1.55 -1.997 -0.9954 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P12 mock treatment -0.0148 -0.0148 -0.58 -0.0198 -0.0197 -0.81 -0.9786 -0.9863 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P13 mock treatment -0.0238 -0.0238 -0.93 -0.0368 -0.0368 -1.51 -1.7202 -0.9727 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P14 mock treatment -0.304 -0.304 -11.84 -0.0178 -0.0178 -0.73 -8.8897 -0.7492 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P15 mock treatment -0.0058 -0.0058 -0.23 -0.0168 -0.0168 -0.69 -0.6455 -0.8925 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P16 mock treatment -0.0198 -0.0198 -0.77 -0.0248 -0.0248 -1.01 -1.263 -0.9908 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P17 mock treatment -0.0338 -0.0338 -1.32 -0.0398 -0.0398 -1.63 -2.0825 -0.9944 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P18 mock treatment -0.0068 -0.0068 -0.26 -0.0098 -0.00972 -0.4 -0.469 -0.9803 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P19 mock treatment -0.0098 -0.0098 -0.38 -0.0198 -0.0198 -0.81 -0.8426 -0.9411 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P20 mock treatment -0.0038 -0.0038 -0.15 -0.0138 -0.0137 -0.56 -0.5023 -0.8637 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P21 mock treatment 0.0022 0.0022 0.09 -0.0058 -0.00572 -0.23 -0.1052 -0.421 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P22 mock treatment -0.0068 -0.0068 -0.26 -0.0158 -0.0158 -0.65 -0.6441 -0.9224 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P23 mock treatment -8.0E-4 -7.96E-4 -0.03 -0.0158 -0.0158 -0.65 -0.4788 -0.7402 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Base P24 mock treatment -0.0138 -0.0138 -0.54 -0.0348 -0.0347 -1.42 -1.3869 -0.9113 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A01 positive control -0.615 -0.615 -23.96 -0.606 -0.606 -24.83 -34.5005 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A02 positive control -0.613 -0.613 -23.88 -0.604 -0.604 -24.75 -34.3878 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A03 positive control -0.623 -0.623 -24.27 -0.614 -0.614 -25.16 -34.9531 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A04 positive control -0.622 -0.622 -24.23 -0.613 -0.613 -25.12 -34.8965 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A05 positive control -0.618 -0.618 -24.08 -0.608 -0.608 -24.91 -34.6411 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A06 positive control -0.622 -0.622 -24.23 -0.612 -0.612 -25.08 -34.8676 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A07 positive control -0.623 -0.623 -24.27 -0.618 -0.618 -25.32 -35.069 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A08 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.96 -34.698 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A09 positive control -0.614 -0.614 -23.92 -0.604 -0.604 -24.75 -34.415 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A10 positive control -0.619 -0.619 -24.12 -0.608 -0.608 -24.91 -34.6678 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A11 positive control -0.615 -0.615 -23.96 -0.605 -0.605 -24.79 -34.4714 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A12 positive control -0.615 -0.615 -23.96 -0.603 -0.603 -24.71 -34.4135 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A13 positive control -0.613 -0.613 -23.88 -0.604 -0.604 -24.75 -34.3878 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A14 positive control -0.618 -0.618 -24.08 -0.606 -0.606 -24.83 -34.5832 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A15 positive control -0.612 -0.612 -23.84 -0.604 -0.604 -24.75 -34.3611 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A16 positive control -0.616 -0.616 -24.0 -0.604 -0.604 -24.75 -34.4701 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A17 positive control -0.615 -0.615 -23.96 -0.604 -0.604 -24.75 -34.4429 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A18 positive control -0.618 -0.618 -24.08 -0.606 -0.606 -24.83 -34.5823 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A19 positive control -0.613 -0.613 -23.88 -0.602 -0.602 -24.67 -34.3295 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A20 positive control -0.613 -0.613 -23.88 -0.603 -0.603 -24.71 -34.3588 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A21 positive control -0.61 -0.61 -23.77 -0.599 -0.599 -24.54 -34.1599 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A22 positive control -0.615 -0.615 -23.96 -0.605 -0.605 -24.79 -34.4715 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A23 positive control -0.613 -0.613 -23.88 -0.603 -0.603 -24.71 -34.3584 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos A24 positive control -0.62 -0.62 -24.15 -0.609 -0.609 -24.96 -34.7255 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B01 positive control -0.624 -0.624 -24.31 -0.616 -0.616 -25.24 -35.0382 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B02 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9236 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B03 positive control -0.615 -0.615 -23.96 -0.604 -0.604 -24.75 -34.4429 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B04 positive control -0.624 -0.624 -24.31 -0.615 -0.615 -25.2 -35.0093 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B05 positive control -0.618 -0.618 -24.08 -0.609 -0.609 -24.96 -34.6713 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B06 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -24.99 -34.7816 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B07 positive control -0.623 -0.623 -24.27 -0.61 -0.61 -24.99 -34.8367 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B08 positive control -0.618 -0.618 -24.08 -0.603 -0.603 -24.71 -34.4966 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B09 positive control -0.614 -0.614 -23.92 -0.601 -0.601 -24.63 -34.3284 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B10 positive control -0.615 -0.615 -23.96 -0.607 -0.607 -24.87 -34.5298 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B11 positive control -0.616 -0.616 -24.0 -0.605 -0.605 -24.79 -34.4991 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B12 positive control -0.621 -0.621 -24.19 -0.606 -0.606 -24.83 -34.667 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B13 positive control -0.612 -0.612 -23.84 -0.599 -0.599 -24.55 -34.2154 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B14 positive control -0.621 -0.621 -24.19 -0.609 -0.609 -24.95 -34.7527 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B15 positive control -0.616 -0.616 -24.0 -0.605 -0.605 -24.79 -34.4991 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B16 positive control -0.619 -0.619 -24.12 -0.607 -0.607 -24.87 -34.6397 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B17 positive control -0.616 -0.616 -24.0 -0.603 -0.603 -24.71 -34.4415 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B18 positive control -0.618 -0.618 -24.08 -0.607 -0.607 -24.87 -34.6133 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B19 positive control -0.617 -0.617 -24.04 -0.604 -0.604 -24.75 -34.498 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B20 positive control -0.616 -0.616 -24.0 -0.603 -0.603 -24.71 -34.4415 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B21 positive control -0.611 -0.611 -23.8 -0.599 -0.599 -24.55 -34.1878 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B22 positive control -0.626 -0.626 -24.39 -0.611 -0.611 -25.04 -34.9484 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B23 positive control -0.624 -0.624 -24.31 -0.61 -0.61 -24.99 -34.8641 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos B24 positive control -0.627 -0.627 -24.43 -0.612 -0.612 -25.08 -35.005 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C01 positive control -0.622 -0.622 -24.23 -0.611 -0.611 -25.04 -34.8382 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C02 positive control -0.62 -0.62 -24.15 -0.611 -0.611 -25.04 -34.7835 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C03 positive control -0.618 -0.618 -24.08 -0.608 -0.608 -24.91 -34.6411 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C04 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9241 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C05 positive control -0.62 -0.62 -24.15 -0.613 -0.613 -25.12 -34.8414 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C06 positive control -0.618 -0.618 -24.08 -0.606 -0.606 -24.83 -34.583 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C07 positive control -0.614 -0.614 -23.92 -0.604 -0.604 -24.75 -34.415 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C08 positive control -0.612 -0.612 -23.84 -0.602 -0.602 -24.67 -34.302 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C09 positive control -0.617 -0.617 -24.04 -0.606 -0.606 -24.83 -34.5555 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C10 positive control -0.615 -0.615 -23.96 -0.603 -0.603 -24.71 -34.4136 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C11 positive control -0.613 -0.613 -23.88 -0.603 -0.603 -24.71 -34.3585 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C12 positive control -0.612 -0.612 -23.84 -0.602 -0.602 -24.67 -34.302 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C13 positive control -0.608 -0.608 -23.69 -0.6 -0.6 -24.58 -34.1337 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C14 positive control -0.61 -0.61 -23.77 -0.6 -0.6 -24.58 -34.1889 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C15 positive control -0.614 -0.614 -23.92 -0.602 -0.602 -24.67 -34.3571 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C16 positive control -0.614 -0.614 -23.92 -0.601 -0.601 -24.63 -34.3281 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C17 positive control -0.612 -0.612 -23.84 -0.6 -0.6 -24.59 -34.2443 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C18 positive control -0.614 -0.614 -23.92 -0.601 -0.601 -24.63 -34.3281 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C19 positive control -0.608 -0.608 -23.69 -0.597 -0.597 -24.46 -34.0472 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C20 positive control -0.615 -0.615 -23.96 -0.601 -0.601 -24.63 -34.3548 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C21 positive control -0.609 -0.609 -23.73 -0.597 -0.597 -24.46 -34.0747 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C22 positive control -0.615 -0.615 -23.96 -0.603 -0.603 -24.71 -34.4134 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C23 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.96 -34.698 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos C24 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5281 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D01 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9238 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D02 positive control -0.622 -0.622 -24.23 -0.614 -0.614 -25.16 -34.9252 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D03 positive control -0.62 -0.62 -24.16 -0.61 -0.61 -24.99 -34.7539 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D04 positive control -0.618 -0.618 -24.08 -0.607 -0.607 -24.87 -34.6125 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D05 positive control -0.617 -0.617 -24.04 -0.607 -0.607 -24.87 -34.5845 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D06 positive control -0.619 -0.619 -24.12 -0.607 -0.607 -24.87 -34.64 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D07 positive control -0.615 -0.615 -23.96 -0.604 -0.604 -24.75 -34.4425 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D08 positive control -0.614 -0.614 -23.92 -0.601 -0.601 -24.63 -34.3281 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D09 positive control -0.62 -0.62 -24.15 -0.609 -0.609 -24.96 -34.7255 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D10 positive control -0.617 -0.617 -24.04 -0.605 -0.605 -24.79 -34.5266 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D11 positive control -0.612 -0.612 -23.84 -0.599 -0.599 -24.55 -34.2162 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D12 positive control -0.613 -0.613 -23.88 -0.598 -0.598 -24.5 -34.2136 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D13 positive control -0.609 -0.609 -23.73 -0.597 -0.597 -24.46 -34.0747 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D14 positive control -0.606 -0.606 -23.61 -0.595 -0.595 -24.38 -33.9341 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D15 positive control -0.615 -0.615 -23.96 -0.603 -0.603 -24.71 -34.4136 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D16 positive control -0.611 -0.611 -23.8 -0.598 -0.598 -24.5 -34.1597 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D17 positive control -0.61 -0.61 -23.76 -0.597 -0.597 -24.46 -34.1023 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D18 positive control -0.613 -0.613 -23.88 -0.599 -0.599 -24.55 -34.2437 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D19 positive control -0.612 -0.612 -23.84 -0.6 -0.6 -24.58 -34.244 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D20 positive control -0.614 -0.614 -23.92 -0.602 -0.602 -24.67 -34.3571 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D21 positive control -0.613 -0.613 -23.88 -0.602 -0.602 -24.67 -34.3295 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D22 positive control -0.615 -0.615 -23.96 -0.603 -0.603 -24.71 -34.4136 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D23 positive control -0.61 -0.61 -23.76 -0.599 -0.599 -24.55 -34.1603 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos D24 positive control -0.612 -0.612 -23.84 -0.601 -0.601 -24.63 -34.2733 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E01 positive control -0.62 -0.62 -24.15 -0.61 -0.61 -25.0 -34.7545 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E02 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.811 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E03 positive control -0.618 -0.618 -24.08 -0.605 -0.605 -24.79 -34.5553 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E04 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8107 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E05 positive control -0.614 -0.614 -23.92 -0.603 -0.603 -24.71 -34.3864 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E06 positive control -0.611 -0.611 -23.8 -0.601 -0.601 -24.63 -34.2466 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E07 positive control -0.61 -0.61 -23.76 -0.6 -0.6 -24.59 -34.1892 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E08 positive control -0.612 -0.612 -23.84 -0.605 -0.605 -24.79 -34.39 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E09 positive control -0.619 -0.619 -24.12 -0.607 -0.607 -24.87 -34.6389 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E10 positive control -0.608 -0.608 -23.69 -0.601 -0.601 -24.63 -34.1631 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E11 positive control -0.615 -0.615 -23.96 -0.606 -0.606 -24.83 -34.5017 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E12 positive control -0.618 -0.618 -24.08 -0.606 -0.606 -24.83 -34.583 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E13 positive control -0.611 -0.611 -23.8 -0.602 -0.602 -24.67 -34.2756 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E14 positive control -0.613 -0.613 -23.88 -0.603 -0.603 -24.71 -34.3588 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E15 positive control -0.614 -0.614 -23.92 -0.604 -0.604 -24.75 -34.4153 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E16 positive control -0.614 -0.614 -23.92 -0.604 -0.604 -24.75 -34.4153 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E17 positive control -0.613 -0.613 -23.88 -0.602 -0.602 -24.67 -34.3298 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E18 positive control -0.614 -0.614 -23.92 -0.602 -0.602 -24.67 -34.3574 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E19 positive control -0.612 -0.612 -23.84 -0.6 -0.6 -24.59 -34.2443 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E20 positive control -0.613 -0.613 -23.88 -0.602 -0.602 -24.67 -34.3298 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E21 positive control -0.611 -0.611 -23.8 -0.6 -0.6 -24.59 -34.2168 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E22 positive control -0.615 -0.615 -23.96 -0.607 -0.607 -24.87 -34.5298 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E23 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5284 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos E24 positive control -0.616 -0.616 -24.0 -0.602 -0.602 -24.67 -34.4125 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F01 positive control -0.625 -0.625 -24.35 -0.618 -0.618 -25.32 -35.1237 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F02 positive control -0.628 -0.628 -24.47 -0.619 -0.619 -25.36 -35.2357 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F03 positive control -0.618 -0.618 -24.08 -0.609 -0.609 -24.95 -34.6701 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F04 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.96 -34.698 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F05 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -24.99 -34.7817 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F06 positive control -0.619 -0.619 -24.12 -0.606 -0.606 -24.83 -34.6119 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F07 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.95 -34.6976 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F08 positive control -0.611 -0.611 -23.8 -0.605 -0.605 -24.79 -34.3617 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F09 positive control -0.614 -0.614 -23.92 -0.606 -0.606 -24.83 -34.4733 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F10 positive control -0.614 -0.614 -23.92 -0.605 -0.605 -24.79 -34.444 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F11 positive control -0.617 -0.617 -24.04 -0.607 -0.607 -24.87 -34.5846 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F12 positive control -0.622 -0.622 -24.23 -0.611 -0.611 -25.04 -34.8381 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F13 positive control -0.611 -0.611 -23.8 -0.596 -0.596 -24.42 -34.0997 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F14 positive control -0.61 -0.61 -23.76 -0.599 -0.599 -24.55 -34.1603 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F15 positive control -0.61 -0.61 -23.76 -0.597 -0.597 -24.46 -34.1023 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F16 positive control -0.616 -0.616 -24.0 -0.603 -0.603 -24.71 -34.4415 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F17 positive control -0.613 -0.613 -23.88 -0.601 -0.601 -24.63 -34.3009 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F18 positive control -0.611 -0.611 -23.8 -0.598 -0.598 -24.5 -34.1588 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F19 positive control -0.613 -0.613 -23.88 -0.603 -0.603 -24.71 -34.3596 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F20 positive control -0.615 -0.615 -23.96 -0.604 -0.604 -24.75 -34.4429 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F21 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5284 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F22 positive control -0.619 -0.619 -24.12 -0.608 -0.608 -24.91 -34.669 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F23 positive control -0.616 -0.616 -24.0 -0.61 -0.61 -25.0 -34.6443 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos F24 positive control -0.619 -0.619 -24.12 -0.606 -0.606 -24.83 -34.611 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G01 positive control -0.622 -0.622 -24.23 -0.613 -0.613 -25.12 -34.8965 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G02 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.95 -34.6975 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G03 positive control -0.623 -0.623 -24.27 -0.609 -0.609 -24.95 -34.8077 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G04 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8107 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G05 positive control -0.615 -0.615 -23.96 -0.604 -0.604 -24.75 -34.4426 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G06 positive control -0.617 -0.617 -24.04 -0.608 -0.608 -24.91 -34.6134 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G07 positive control -0.615 -0.615 -23.96 -0.609 -0.609 -24.96 -34.5878 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G08 positive control -0.616 -0.616 -24.0 -0.61 -0.61 -24.99 -34.644 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G09 positive control -0.614 -0.614 -23.92 -0.605 -0.605 -24.79 -34.444 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G10 positive control -0.617 -0.617 -24.04 -0.605 -0.605 -24.79 -34.527 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G11 positive control -0.624 -0.624 -24.31 -0.613 -0.613 -25.12 -34.9505 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G12 positive control -0.616 -0.616 -24.0 -0.6 -0.6 -24.58 -34.3534 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G13 positive control -0.616 -0.616 -24.0 -0.608 -0.608 -24.91 -34.5858 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G14 positive control -0.616 -0.616 -24.0 -0.607 -0.607 -24.87 -34.5569 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G15 positive control -0.613 -0.613 -23.88 -0.602 -0.602 -24.67 -34.3287 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G16 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.811 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G17 positive control -0.619 -0.619 -24.12 -0.608 -0.608 -24.91 -34.6687 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G18 positive control -0.616 -0.616 -24.0 -0.604 -0.604 -24.75 -34.4701 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G19 positive control -0.617 -0.617 -24.04 -0.607 -0.607 -24.87 -34.5838 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G20 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.95 -34.6976 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G21 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -25.0 -34.7821 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G22 positive control -0.618 -0.618 -24.08 -0.607 -0.607 -24.87 -34.6113 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G23 positive control -0.622 -0.622 -24.23 -0.61 -0.61 -24.99 -34.8084 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos G24 positive control -0.628 -0.628 -24.47 -0.614 -0.614 -25.16 -35.0908 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H01 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9238 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H02 positive control -0.618 -0.618 -24.08 -0.61 -0.61 -25.0 -34.6994 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H03 positive control -0.623 -0.623 -24.27 -0.614 -0.614 -25.16 -34.9531 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H04 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8107 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H05 positive control -0.617 -0.617 -24.04 -0.607 -0.607 -24.87 -34.5845 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H06 positive control -0.619 -0.619 -24.12 -0.606 -0.606 -24.83 -34.6107 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H07 positive control -0.612 -0.612 -23.84 -0.602 -0.602 -24.67 -34.3023 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H08 positive control -0.619 -0.619 -24.12 -0.608 -0.608 -24.91 -34.6685 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H09 positive control -0.618 -0.618 -24.08 -0.61 -0.61 -25.0 -34.6994 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H10 positive control -0.612 -0.612 -23.84 -0.604 -0.604 -24.75 -34.3602 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H11 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5279 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H12 positive control -0.612 -0.612 -23.84 -0.601 -0.601 -24.63 -34.2721 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H13 positive control -0.616 -0.616 -24.0 -0.604 -0.604 -24.75 -34.4704 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H14 positive control -0.605 -0.605 -23.57 -0.599 -0.599 -24.54 -34.0222 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H15 positive control -0.612 -0.612 -23.84 -0.604 -0.604 -24.75 -34.3599 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H16 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5279 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H17 positive control -0.618 -0.618 -24.08 -0.608 -0.608 -24.91 -34.6411 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H18 positive control -0.622 -0.622 -24.23 -0.609 -0.609 -24.96 -34.7806 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H19 positive control -0.618 -0.618 -24.08 -0.611 -0.611 -25.04 -34.7292 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H20 positive control -0.621 -0.621 -24.19 -0.609 -0.609 -24.95 -34.7519 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H21 positive control -0.62 -0.62 -24.15 -0.61 -0.61 -24.99 -34.7533 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H22 positive control -0.622 -0.622 -24.23 -0.61 -0.61 -24.99 -34.8093 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H23 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5272 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos H24 positive control -0.622 -0.622 -24.23 -0.61 -0.61 -24.99 -34.8093 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I01 positive control -0.619 -0.619 -24.12 -0.61 -0.61 -24.99 -34.7265 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I02 positive control -0.622 -0.622 -24.23 -0.609 -0.609 -24.95 -34.7795 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I03 positive control -0.618 -0.618 -24.08 -0.607 -0.607 -24.87 -34.6125 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I04 positive control -0.622 -0.622 -24.23 -0.612 -0.612 -25.08 -34.8676 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I05 positive control -0.613 -0.613 -23.88 -0.603 -0.603 -24.71 -34.3588 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I06 positive control -0.615 -0.615 -23.96 -0.605 -0.605 -24.79 -34.4715 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I07 positive control -0.614 -0.614 -23.92 -0.604 -0.604 -24.75 -34.4153 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I08 positive control -0.621 -0.621 -24.19 -0.612 -0.612 -25.08 -34.84 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I09 positive control -0.617 -0.617 -24.04 -0.613 -0.613 -25.12 -34.7576 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I10 positive control -0.615 -0.615 -23.96 -0.605 -0.605 -24.79 -34.4707 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I11 positive control -0.615 -0.615 -23.96 -0.606 -0.606 -24.83 -34.5017 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I12 positive control -0.616 -0.616 -24.0 -0.605 -0.605 -24.79 -34.4991 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I13 positive control -0.611 -0.611 -23.8 -0.602 -0.602 -24.67 -34.2744 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I14 positive control -0.614 -0.614 -23.92 -0.605 -0.605 -24.79 -34.444 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I15 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5279 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I16 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.95 -34.6976 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I17 positive control -0.621 -0.621 -24.19 -0.612 -0.612 -25.08 -34.84 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I18 positive control -0.621 -0.621 -24.19 -0.609 -0.609 -24.96 -34.7539 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I19 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5284 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I20 positive control -0.62 -0.62 -24.16 -0.611 -0.611 -25.04 -34.7831 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I21 positive control -0.621 -0.621 -24.19 -0.613 -0.613 -25.12 -34.869 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I22 positive control -0.62 -0.62 -24.16 -0.609 -0.609 -24.95 -34.7252 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I23 positive control -0.618 -0.618 -24.08 -0.609 -0.609 -24.95 -34.6701 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos I24 positive control -0.629 -0.629 -24.5 -0.618 -0.618 -25.32 -35.2343 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J01 positive control -0.624 -0.624 -24.31 -0.615 -0.615 -25.2 -35.0096 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J02 positive control -0.624 -0.624 -24.31 -0.615 -0.615 -25.2 -35.0093 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J03 positive control -0.626 -0.626 -24.39 -0.618 -0.618 -25.32 -35.1516 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J04 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9238 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J05 positive control -0.618 -0.618 -24.08 -0.608 -0.608 -24.91 -34.6411 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J06 positive control -0.617 -0.617 -24.04 -0.607 -0.607 -24.87 -34.5849 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J07 positive control -0.622 -0.622 -24.23 -0.619 -0.619 -25.36 -35.0704 -0.9997 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J08 positive control -0.62 -0.62 -24.16 -0.61 -0.61 -24.99 -34.7542 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J09 positive control -0.622 -0.622 -24.23 -0.611 -0.611 -25.04 -34.8382 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J10 positive control -0.62 -0.62 -24.16 -0.609 -0.609 -24.95 -34.7251 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J11 positive control -0.614 -0.614 -23.92 -0.603 -0.603 -24.71 -34.3852 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J12 positive control -0.617 -0.617 -24.04 -0.605 -0.605 -24.79 -34.5266 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J13 positive control -0.616 -0.616 -24.0 -0.605 -0.605 -24.79 -34.4994 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J14 positive control -0.618 -0.618 -24.08 -0.606 -0.606 -24.83 -34.583 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J15 positive control -0.614 -0.614 -23.92 -0.608 -0.608 -24.91 -34.5313 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J16 positive control -0.623 -0.623 -24.27 -0.616 -0.616 -25.24 -35.011 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J17 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.811 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J18 positive control -0.617 -0.617 -24.04 -0.604 -0.604 -24.75 -34.4977 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J19 positive control -0.615 -0.615 -23.96 -0.607 -0.607 -24.87 -34.5287 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J20 positive control -0.617 -0.617 -24.04 -0.607 -0.607 -24.87 -34.5846 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J21 positive control -0.613 -0.613 -23.88 -0.604 -0.604 -24.75 -34.3886 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J22 positive control -0.628 -0.628 -24.47 -0.617 -0.617 -25.28 -35.1777 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J23 positive control -0.623 -0.623 -24.27 -0.614 -0.614 -25.16 -34.9531 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos J24 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9236 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K01 positive control -0.619 -0.619 -24.12 -0.608 -0.608 -24.91 -34.6686 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K02 positive control -0.626 -0.626 -24.39 -0.616 -0.616 -25.24 -35.0937 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K03 positive control -0.624 -0.624 -24.31 -0.613 -0.613 -25.12 -34.9505 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K04 positive control -0.623 -0.623 -24.27 -0.612 -0.612 -25.08 -34.8946 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K05 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5292 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K06 positive control -0.618 -0.618 -24.08 -0.607 -0.607 -24.87 -34.6121 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K07 positive control -0.614 -0.614 -23.92 -0.603 -0.603 -24.71 -34.3864 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K08 positive control -0.618 -0.618 -24.08 -0.607 -0.607 -24.87 -34.6121 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K09 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -24.99 -34.7817 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K10 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.95 -34.6975 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K11 positive control -0.616 -0.616 -24.0 -0.607 -0.607 -24.87 -34.5569 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K12 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5279 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K13 positive control -0.616 -0.616 -24.0 -0.605 -0.605 -24.79 -34.4991 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K14 positive control -0.618 -0.618 -24.08 -0.607 -0.607 -24.87 -34.6121 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K15 positive control -0.617 -0.617 -24.04 -0.605 -0.605 -24.79 -34.5266 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K16 positive control -0.617 -0.617 -24.04 -0.607 -0.607 -24.87 -34.5846 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K17 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -24.99 -34.7817 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K18 positive control -0.624 -0.624 -24.31 -0.612 -0.612 -25.08 -34.9227 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K19 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9241 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K20 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -24.99 -34.7817 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K21 positive control -0.626 -0.626 -24.39 -0.617 -0.617 -25.28 -35.1226 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K22 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.95 -34.6976 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K23 positive control -0.622 -0.622 -24.23 -0.614 -0.614 -25.16 -34.9244 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos K24 positive control -0.619 -0.619 -24.12 -0.608 -0.608 -24.91 -34.6687 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L01 positive control -0.623 -0.623 -24.27 -0.614 -0.614 -25.16 -34.9527 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L02 positive control -0.62 -0.62 -24.15 -0.612 -0.612 -25.08 -34.8125 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L03 positive control -0.619 -0.619 -24.12 -0.611 -0.611 -25.04 -34.7556 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L04 positive control -0.622 -0.622 -24.23 -0.612 -0.612 -25.08 -34.8684 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L05 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8107 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L06 positive control -0.625 -0.625 -24.35 -0.615 -0.615 -25.2 -35.0368 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L07 positive control -0.622 -0.622 -24.23 -0.613 -0.613 -25.12 -34.8962 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L08 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8099 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L09 positive control -0.619 -0.619 -24.12 -0.61 -0.61 -25.0 -34.727 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L10 positive control -0.616 -0.616 -24.0 -0.607 -0.607 -24.87 -34.5574 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L11 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.96 -34.698 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L12 positive control -0.617 -0.617 -24.04 -0.608 -0.608 -24.91 -34.6147 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L13 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -25.0 -34.7829 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L14 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -25.0 -34.7821 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L15 positive control -0.623 -0.623 -24.27 -0.611 -0.611 -25.04 -34.8658 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L16 positive control -0.619 -0.619 -24.12 -0.608 -0.608 -24.91 -34.6687 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L17 positive control -0.615 -0.615 -23.96 -0.603 -0.603 -24.71 -34.4139 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L18 positive control -0.622 -0.622 -24.23 -0.61 -0.61 -24.99 -34.8093 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L19 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8107 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L20 positive control -0.621 -0.621 -24.19 -0.608 -0.608 -24.91 -34.7229 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L21 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -24.99 -34.7817 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L22 positive control -0.619 -0.619 -24.12 -0.607 -0.607 -24.87 -34.64 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L23 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8119 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos L24 positive control -0.62 -0.62 -24.15 -0.61 -0.61 -25.0 -34.7545 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M01 positive control -0.618 -0.618 -24.08 -0.611 -0.611 -25.04 -34.7284 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M02 positive control -0.623 -0.623 -24.27 -0.612 -0.612 -25.08 -34.8948 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M03 positive control -0.617 -0.617 -24.04 -0.608 -0.608 -24.91 -34.6139 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M04 positive control -0.618 -0.618 -24.08 -0.609 -0.609 -24.96 -34.6704 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M05 positive control -0.618 -0.618 -24.08 -0.606 -0.606 -24.83 -34.5843 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M06 positive control -0.617 -0.617 -24.04 -0.606 -0.606 -24.83 -34.5559 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M07 positive control -0.615 -0.615 -23.96 -0.606 -0.606 -24.83 -34.5008 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M08 positive control -0.62 -0.62 -24.16 -0.609 -0.609 -24.95 -34.7252 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M09 positive control -0.622 -0.622 -24.23 -0.609 -0.609 -24.96 -34.7806 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M10 positive control -0.626 -0.626 -24.39 -0.614 -0.614 -25.16 -35.0357 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M11 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9238 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M12 positive control -0.625 -0.625 -24.35 -0.613 -0.613 -25.12 -34.9787 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M13 positive control -0.619 -0.619 -24.12 -0.608 -0.608 -24.91 -34.6686 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M14 positive control -0.618 -0.618 -24.08 -0.607 -0.607 -24.87 -34.6125 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M15 positive control -0.626 -0.626 -24.39 -0.615 -0.615 -25.2 -35.0644 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M16 positive control -0.624 -0.624 -24.31 -0.613 -0.613 -25.12 -34.9516 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M17 positive control -0.62 -0.62 -24.15 -0.609 -0.609 -24.96 -34.7255 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M18 positive control -0.619 -0.619 -24.12 -0.607 -0.607 -24.87 -34.64 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M19 positive control -0.619 -0.619 -24.12 -0.61 -0.61 -25.0 -34.7277 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M20 positive control -0.623 -0.623 -24.27 -0.61 -0.61 -25.0 -34.8372 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M21 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8119 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M22 positive control -0.62 -0.62 -24.16 -0.612 -0.612 -25.08 -34.8133 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M23 positive control -0.624 -0.624 -24.31 -0.615 -0.615 -25.2 -35.0093 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos M24 positive control -0.625 -0.625 -24.35 -0.614 -0.614 -25.16 -35.0078 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N01 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9238 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N02 positive control -0.63 -0.63 -24.54 -0.621 -0.621 -25.45 -35.3488 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N03 positive control -0.627 -0.627 -24.43 -0.617 -0.617 -25.28 -35.1502 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N04 positive control -0.626 -0.626 -24.39 -0.615 -0.615 -25.2 -35.0635 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N05 positive control -0.616 -0.616 -24.0 -0.607 -0.607 -24.87 -34.5569 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N06 positive control -0.623 -0.623 -24.27 -0.611 -0.611 -25.04 -34.8658 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N07 positive control -0.623 -0.623 -24.27 -0.612 -0.612 -25.08 -34.8948 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N08 positive control -0.621 -0.621 -24.19 -0.609 -0.609 -24.95 -34.7526 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N09 positive control -0.628 -0.628 -24.47 -0.617 -0.617 -25.28 -35.1777 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N10 positive control -0.623 -0.623 -24.27 -0.611 -0.611 -25.04 -34.8658 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N11 positive control -0.629 -0.629 -24.5 -0.617 -0.617 -25.28 -35.2053 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N12 positive control -0.623 -0.623 -24.27 -0.612 -0.612 -25.08 -34.8948 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N13 positive control -0.618 -0.618 -24.08 -0.608 -0.608 -24.91 -34.6411 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N14 positive control -0.623 -0.623 -24.27 -0.616 -0.616 -25.24 -35.0107 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N15 positive control -0.614 -0.614 -23.92 -0.607 -0.607 -24.87 -34.5023 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N16 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.95 -34.6976 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N17 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9241 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N18 positive control -0.619 -0.619 -24.12 -0.61 -0.61 -24.99 -34.7265 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N19 positive control -0.622 -0.622 -24.23 -0.611 -0.611 -25.04 -34.8386 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N20 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -25.0 -34.7829 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N21 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -24.99 -34.7816 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N22 positive control -0.625 -0.625 -24.35 -0.614 -0.614 -25.16 -35.009 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N23 positive control -0.624 -0.624 -24.31 -0.613 -0.613 -25.12 -34.9516 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos N24 positive control -0.623 -0.623 -24.27 -0.611 -0.611 -25.04 -34.8658 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O01 positive control -0.619 -0.619 -24.12 -0.611 -0.611 -25.04 -34.7559 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O02 positive control -0.623 -0.623 -24.27 -0.614 -0.614 -25.16 -34.9527 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O03 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8107 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O04 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.96 -34.698 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O05 positive control -0.62 -0.62 -24.16 -0.61 -0.61 -24.99 -34.7542 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O06 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.96 -34.698 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O07 positive control -0.616 -0.616 -24.0 -0.606 -0.606 -24.83 -34.5284 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O08 positive control -0.622 -0.622 -24.23 -0.612 -0.612 -25.08 -34.8672 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O09 positive control -0.624 -0.624 -24.31 -0.612 -0.612 -25.08 -34.9235 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O10 positive control -0.625 -0.625 -24.35 -0.615 -0.615 -25.2 -35.0371 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O11 positive control -0.626 -0.626 -24.39 -0.615 -0.615 -25.2 -35.0644 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O12 positive control -0.627 -0.627 -24.43 -0.616 -0.616 -25.24 -35.1201 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O13 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.811 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O14 positive control -0.621 -0.621 -24.19 -0.61 -0.61 -25.0 -34.7829 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O15 positive control -0.623 -0.623 -24.27 -0.612 -0.612 -25.08 -34.8951 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O16 positive control -0.619 -0.619 -24.12 -0.609 -0.609 -24.96 -34.698 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O17 positive control -0.622 -0.622 -24.23 -0.612 -0.612 -25.08 -34.8676 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O18 positive control -0.628 -0.628 -24.47 -0.619 -0.619 -25.36 -35.2345 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O19 positive control -0.622 -0.622 -24.23 -0.612 -0.612 -25.08 -34.8671 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O20 positive control -0.621 -0.621 -24.19 -0.611 -0.611 -25.04 -34.8106 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O21 positive control -0.625 -0.625 -24.35 -0.613 -0.613 -25.12 -34.9789 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O22 positive control -0.625 -0.625 -24.35 -0.611 -0.611 -25.04 -34.9221 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O23 positive control -0.625 -0.625 -24.35 -0.614 -0.614 -25.16 -35.007 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos O24 positive control -0.63 -0.63 -24.54 -0.621 -0.621 -25.45 -35.3488 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P01 positive control -0.628 -0.628 -24.47 -0.618 -0.618 -25.32 -35.2067 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P02 positive control -0.625 -0.625 -24.35 -0.617 -0.617 -25.28 -35.0948 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P03 positive control -0.624 -0.624 -24.31 -0.611 -0.611 -25.04 -34.8932 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P04 positive control -0.627 -0.627 -24.43 -0.617 -0.617 -25.28 -35.1502 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P05 positive control -0.627 -0.627 -24.43 -0.618 -0.618 -25.32 -35.1792 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P06 positive control -0.627 -0.627 -24.43 -0.616 -0.616 -25.24 -35.1212 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P07 positive control -0.629 -0.629 -24.5 -0.62 -0.62 -25.41 -35.2922 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P08 positive control -0.626 -0.626 -24.39 -0.614 -0.614 -25.16 -35.0352 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P09 positive control -0.633 -0.633 -24.66 -0.621 -0.621 -25.45 -35.4314 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P10 positive control -0.63 -0.63 -24.54 -0.618 -0.618 -25.32 -35.2618 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P11 positive control -0.636 -0.636 -24.78 -0.623 -0.623 -25.53 -35.572 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P12 positive control -0.628 -0.628 -24.47 -0.614 -0.614 -25.16 -35.0897 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P13 positive control -0.632 -0.632 -24.62 -0.619 -0.619 -25.36 -35.3459 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P14 positive control -0.627 -0.627 -24.43 -0.616 -0.616 -25.24 -35.1201 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P15 positive control -0.627 -0.627 -24.43 -0.616 -0.616 -25.24 -35.1212 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P16 positive control -0.629 -0.629 -24.5 -0.618 -0.618 -25.32 -35.2343 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P17 positive control -0.634 -0.634 -24.7 -0.625 -0.625 -25.61 -35.5749 -0.9998 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P18 positive control -0.624 -0.624 -24.31 -0.613 -0.613 -25.12 -34.9513 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P19 positive control -0.626 -0.626 -24.39 -0.615 -0.615 -25.2 -35.0635 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P20 positive control -0.624 -0.624 -24.31 -0.613 -0.613 -25.12 -34.9513 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P21 positive control -0.623 -0.623 -24.27 -0.611 -0.611 -25.04 -34.8658 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P22 positive control -0.622 -0.622 -24.23 -0.612 -0.612 -25.08 -34.8672 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P23 positive control -0.623 -0.623 -24.27 -0.613 -0.613 -25.12 -34.9229 -0.9999 1021.0019 Calc(E1-E2)(1021.0019) DihydroorotateDehydrogenase 1021.0019.Pos P24 positive control -0.626 -0.626 -24.39 -0.617 -0.617 -25.28 -35.1226 -0.9998