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 RAW_VALUE_C BSUB_VALUE_C Z_SCORE_C COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A01 compound treatment 0.0215 0.0218 0.61 0.688 0.0146 0.47 0.0473548387096777 0.0459508196721312 1.3921434726236 1.4312 0.8983 1001670 ACon1_000001 COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A02 compound treatment 0.0165 0.0168 0.47 0.694 0.0206 0.67 0.0373548387096777 0.0359508196721312 1.08917967729703 1.2869 0.9447 1023904 ACon1_000002 Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A03 compound treatment 0.0105 0.0108 0.3 0.691 0.0176 0.57 3.54838709677701E-4 -0.00104918032786885 -0.031786365411313 0.4871 0.7514 3552049 ACon1_000003 C/C=C(\COC(=O)C)/C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)C3C(=C(C)[C@H]1O)C(=O)[C@H]4O[C@]43C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A04 compound treatment 0.0165 0.0168 0.47 0.681 0.00762 0.25 0.00735483870967771 0.00595081967213116 0.180288291317292 0.5188 0.9237 1039 ACon1_000004 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A05 compound treatment 0.0185 0.0188 0.53 0.696 0.0226 0.73 0.0243548387096777 0.0229508196721312 0.695326743372475 1.1295 0.9906 3559511 ACon1_000005 COC(=O)CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@]3(CCC12)C=C4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A06 compound treatment 0.0155 0.0158 0.44 0.688 0.0146 0.47 0.00835483870967771 0.00695081967213116 0.21058467084995 0.6512 0.9544 3551992 ACon1_000006 C/C/1=C\CCC2=CC(C\C(=C\C3OC(=O)C(=C)C3CC1)\C)OC2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A07 compound treatment 0.0395 0.0398 1.12 0.691 0.0176 0.57 0.0163548387096777 0.0149508196721311 0.452955707111212 1.2357 0.9271 3189572 ACon1_000007 CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@H]41 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A08 compound treatment 0.0215 0.0218 0.61 0.699 0.0256 0.83 0.0263548387096777 0.0249508196721312 0.75591950243779 1.2692 0.9923 1116885 ACon1_000008 CCC(C)C1NC(=O)C(=C1O)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A09 compound treatment -0.1156 -0.115 -3.23 0.685 0.0116 0.38 0.0323548387096777 0.0309508196721312 0.937697779633737 -1.1067 -0.3268 3559537 ACon1_000009 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]3(C)[C@@H](O)[C@@H](O)CC13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A10 compound treatment 0.0165 0.0168 0.47 0.701 0.0276 0.9 0.0153548387096777 0.0139508196721311 0.422659327578554 1.0341 0.942 3559847 ACon1_000010 OC[C@H]1O[C@@H](OCCC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A11 compound treatment 0.0305 0.0308 0.86 0.705 0.0316 1.03 0.0493548387096777 0.0479508196721311 1.45273623168892 1.9302 0.9761 3559600 ACon1_000011 COc1ccc2oc(c(O)c(=O)c2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A12 compound treatment 0.0215 0.0218 0.61 0.693 0.0196 0.64 0.0353548387096777 0.0339508196721311 1.02858691823171 1.3142 0.9697 3557478 ACon1_000012 CC(=CCc1c(O)ccc2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A13 mock treatment 0.0085 0.0088 0.25 0.68 0.00662 0.21 0.0173548387096777 0.0159508196721312 0.48325208664387 0.5455 0.9347 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A14 mock treatment 0.0075 0.00784 0.22 0.68 0.00662 0.21 0.0443548387096777 0.0429508196721312 1.30125433402563 1.0022 0.7496 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A15 compound treatment 0.0265 0.0268 0.75 0.698 0.0246 0.8 0.00735483870967771 0.00595081967213116 0.180288291317292 0.9998 0.8989 1138815 ACon1_000013 COc1cccc2OC(CC(=O)c12)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A16 compound treatment 0.0175 0.0178 0.5 0.7 0.0266 0.86 0.0273548387096777 0.0259508196721312 0.786215881970448 1.2414 0.977 3553257 ACon1_000014 CC(=O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)C(=O)C)NC(=O)C(CCCN(O)C(=O)C)NC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A17 compound treatment 0.0055 0.0058 0.16 0.684 0.0106 0.34 0.0023548387096777 9.5081967213115E-4 0.0288063936540026 0.3095 0.8098 1527185 ACon1_000015 COc1ccccc1c2cc(=O)c3ccccc3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A18 compound treatment 0.0155 0.0158 0.44 0.687 0.0136 0.44 0.00635483870967771 0.00495081967213116 0.149991911784634 0.5974 0.9286 3558773 ACon1_000016 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A19 compound treatment 0.0055 0.0058 0.16 0.684 0.0106 0.34 0.00935483870967771 0.00795081967213116 0.240881050382608 0.4319 0.958 3559667 ACon1_000017 CCC1=CC2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@H]31)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A20 compound treatment 0.0125 0.0128 0.36 0.685 0.0116 0.38 -0.0036451612903223 -0.00504918032786885 -0.152971883541944 0.3366 0.6203 3558449 ACon1_000018 C[C@@H]1OC(OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A21 compound treatment 0.0025 0.00283 0.08 0.674 6.21E-4 0.02 0.0103548387096777 0.00895081967213115 0.271177429915265 0.2139 0.7554 1530 ACon1_000019 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A22 compound treatment 0.0075 0.0078 0.22 0.663 -0.0104 -0.34 0.00635483870967771 0.00495081967213116 0.149991911784634 0.0183 0.0427 3559224 ACon1_000020 CC(=O)c1ccc2OC(Cc2c1)C(=C)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A23 compound treatment 0.0125 0.0128 0.36 0.685 0.0116 0.38 0.0103548387096777 0.00895081967213115 0.271177429915265 0.5814 0.9906 3554786 ACon1_000021 COc1cc(/C=C/2\Oc3cc(O)ccc3C2=O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 A24 compound treatment 5.0E-4 7.97E-4 0.02 0.671 -0.00238 -0.08 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.1375 -0.6871 3559348 ACon1_000022 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2COC(=O)C3(O)C=CCCC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B01 compound treatment 0.0095 0.00984 0.28 0.676 0.00262 0.09 0.0103548387096777 0.00895081967213115 0.271177429915265 0.3649 0.9214 3557968 ACon1_000023 CC(=CCc1c(O)c(CC=C(C)C)c2occ(c3ccc(O)cc3)c(=O)c2c1O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B02 compound treatment 0.0055 0.00583 0.16 0.687 0.0136 0.44 0.0033548387096777 0.00195081967213115 0.0591027731866604 0.3837 0.8078 3555955 ACon1_000024 OCC(=C)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](CC2=C)OC(=O)C(=C)CO)C1=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B03 compound treatment 0.0245 0.0248 0.7 0.673 -3.79E-4 -0.01 -0.0356451612903223 -0.0370491803278689 -1.12245602858699 -0.2533 -0.1918 3552206 ACon1_000025 C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B04 compound treatment 0.0205 0.0208 0.58 0.689 0.0156 0.51 -0.0116451612903223 -0.0130491803278689 -0.395342919803207 0.4009 0.462 3554785 ACon1_000026 COc1c2occ(COC(=O)C)c2c(C=O)c3c(C)cccc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B05 compound treatment 0.0235 0.0238 0.67 0.685 0.0116 0.38 0.0123548387096777 0.0109508196721312 0.331770188980581 0.7943 0.9514 3557493 ACon1_000027 CC1(C)CCCC2(C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B06 compound treatment 0.0035 0.0038 0.11 0.674 6.21E-4 0.02 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 0.0198 0.1387 3614336 ACon1_000028 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@](C)(C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O)O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B07 compound treatment -0.0065 -0.0062 -0.17 0.667 -0.00638 -0.21 -0.0096451612903223 -0.0110491803278689 -0.334750160737891 -0.4132 -0.9603 3557846 ACon1_000029 O[C@@H]1[C@@H](O)[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B08 compound treatment 0.0155 0.0158 0.44 0.694 0.0206 0.67 0.0113548387096777 0.00995081967213115 0.301473809447923 0.816 0.952 3557557 ACon1_000030 C/C(=C/CC\C(=C\CC\C(=C\CC/C(=C\CO)/CO)\C)\C)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B09 compound treatment 0.0135 0.0138 0.39 0.675 0.00162 0.05 0.0063548387096777 0.00495081967213115 0.149991911784634 0.3409 0.8132 3554854 ACon1_000031 COc1cc(C)cc(C(=O)O)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B10 compound treatment 0.0165 0.0168 0.47 0.692 0.0186 0.6 0.0163548387096777 0.0149508196721311 0.452955707111212 0.8823 0.9913 3553850 ACon1_000032 CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B11 compound treatment -0.0585 -0.0582 -1.63 0.628 -0.0454 -1.47 -0.0196451612903223 -0.0210491803278688 -0.637713956064469 -2.16 -0.944 2060482 ACon1_000033 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B12 compound treatment -5.0E-4 -2.03E-4 -0.01 0.671 -0.00238 -0.08 3.548387096777E-4 -0.00104918032786885 -0.031786365411313 -0.0662 -0.7912 3559288 ACon1_000034 CC1OC(OC2C(O)C(O[C@H]3[C@H](C)O[C@@H](OC4C(O)C(O)COC4OC(=O)[C@@]56CCC(C)(C)CC6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC5)[C@H](O)[C@@H]3O)OCC2O[C@H]%11OC[C@](O)(CO)[C@H]%11O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B13 mock treatment 0.0085 0.00879 0.25 0.673 -3.79E-4 -0.01 0.00635483870967771 0.00495081967213116 0.149991911784634 0.2217 0.768 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B14 mock treatment 0.0235 0.0238 0.67 0.689 0.0156 0.51 -0.0116451612903223 -0.0130491803278689 -0.395342919803207 0.4495 0.4852 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B15 compound treatment 0.0085 0.0088 0.25 0.67 -0.00338 -0.11 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.0267 -0.082 3559345 ACon1_000035 CC(=CCc1cc(cc(O)c1O)c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B16 compound treatment 0.0055 0.0058 0.16 0.685 0.0116 0.38 -6.45161290322299E-4 -0.00204918032786885 -0.0620827449439708 0.2757 0.6639 3554649 ACon1_000036 COC(=O)C(=C)[C@]1(O[C@]2(C)CC1=O)[C@H](C[C@@]3(C)OC(=O)/C(=C/C)/[C@]3(O)CC2)OC(=O)C(CO)CN4CCCC4C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B17 compound treatment 0.0205 0.0208 0.58 0.678 0.00462 0.15 0.0043548387096777 0.00295081967213115 0.0893991527193182 0.4747 0.7802 3559460 ACon1_000037 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B18 compound treatment 0.0155 0.0158 0.44 0.686 0.0126 0.41 3.548387096777E-4 -0.00104918032786885 -0.031786365411313 0.4737 0.7844 3557695 ACon1_000038 COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B19 compound treatment 0.0125 0.0128 0.36 0.676 0.00262 0.09 0.0063548387096777 0.00495081967213115 0.149991911784634 0.3428 0.8613 3558409 ACon1_000039 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)cc4)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B20 compound treatment 0.0095 0.0098 0.27 0.682 0.00862 0.28 0.0103548387096777 0.00895081967213115 0.271177429915265 0.4767 0.9999 3557530 ACon1_000040 COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B21 compound treatment 0.0145 0.0148 0.42 0.657 -0.0164 -0.53 0.0143548387096777 0.0129508196721312 0.392362948045896 0.1598 0.2047 3559391 ACon1_000041 COc1cc(cc(OC)c1O)C2C(CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)C(CO)Cc4cc(OC)c(O)c(O)c24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B22 compound treatment 0.0095 0.00983 0.28 0.678 0.00462 0.15 -6.45161290322301E-4 -0.00204918032786885 -0.0620827449439709 0.2099 0.6561 3557713 ACon1_000042 CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4(O)CC(OC(=O)C)C3=C2)C6=CC(=O)OC6)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B23 compound treatment 0.0185 0.0188 0.53 0.687 0.0136 0.44 -0.0026451612903223 -0.00404918032786885 -0.122675504009286 0.4885 0.6994 3559546 ACon1_000043 CC12CCC=C(CO)C2CC3C(C1)OC(=O)C3=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 B24 compound treatment 0.0125 0.0128 0.36 0.68 0.00662 0.21 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 0.2779 0.6488 3557636 ACon1_000044 OC(=O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C01 compound treatment -0.0025 -0.00217 -0.06 0.682 0.00862 0.28 0.0143548387096777 0.0129508196721312 0.392362948045896 0.3529 0.7265 3558824 ACon1_000045 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C02 compound treatment 0.0055 0.00584 0.16 0.693 0.0196 0.64 0.0093548387096777 0.00795081967213115 0.240881050382607 0.6012 0.8586 3559748 ACon1_000046 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C03 compound treatment 0.0045 0.00483 0.14 0.69 0.0166 0.54 0.0173548387096777 0.0159508196721312 0.48325208664387 0.6686 0.9074 831758 ACon1_000047 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C04 compound treatment 0.0155 0.0158 0.44 0.702 0.0286 0.93 0.0093548387096777 0.00795081967213115 0.240881050382607 0.9317 0.8812 1054577 ACon1_000048 COc1cc(cc(OC)c1OC)c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C05 compound treatment 0.0165 0.0168 0.47 0.701 0.0276 0.9 0.0083548387096777 0.00695081967213115 0.21058467084995 0.9117 0.881 3558524 ACon1_000049 COc1c(O)c2c(=O)c(O)c(oc2c(OC)c1OC)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C06 compound treatment -0.0205 -0.0202 -0.57 0.687 0.0136 0.44 0.0133548387096777 0.0119508196721311 0.362066568513239 0.1371 0.1703 3559371 ACon1_000050 COC(=O)C1=CO[C@@H](OC2OC(O)C(O)C(O)C2CO)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C07 compound treatment -0.0105 -0.0102 -0.29 0.677 0.00362 0.12 0.0163548387096777 0.0149508196721311 0.452955707111212 0.1641 0.2991 3559455 ACon1_000051 COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C08 compound treatment 0.0155 0.0158 0.44 0.697 0.0236 0.77 0.0253548387096777 0.0239508196721312 0.725623122905132 1.1172 0.976 3559354 ACon1_000052 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C09 compound treatment 0.0065 0.00684 0.19 0.686 0.0126 0.41 0.0113548387096777 0.00995081967213115 0.301473809447923 0.5212 0.959 3553479 ACon1_000053 CC(C)(O)CC[C@@H](O)[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)C3CC[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C10 compound treatment -0.0015 -0.00117 -0.03 0.68 0.00662 0.21 0.0163548387096777 0.0149508196721311 0.452955707111212 0.3666 0.7296 3553171 ACon1_000054 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@]43C)C(=O)O)C12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C11 mock treatment 0.0115 0.0118 0.33 0.667 -0.00638 -0.21 0.0123548387096777 0.0109508196721312 0.331770188980581 0.2636 0.514 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C12 mock treatment 0.0035 0.0038 0.11 0.682 0.00862 0.28 0.0133548387096777 0.0119508196721311 0.362066568513239 0.432 0.9196 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C13 compound treatment -0.0045 -0.0042 -0.12 0.685 0.0116 0.38 0.0173548387096777 0.0159508196721312 0.48325208664387 0.4287 0.6868 1016235 ACon1_000055 O=c1cc(oc2ccccc12)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C14 compound treatment -0.0015 -0.00117 -0.03 0.672 -0.00138 -0.04 0.0103548387096777 0.00895081967213115 0.271177429915265 0.1117 0.4036 3553953 ACon1_000056 CC12CC3(CC2C1CC34)CC(O)C5C(CO)(CO)CC(=O)CC45C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C15 mock treatment -0.0035 -0.00321 -0.09 0.676 0.00262 0.09 0.0123548387096777 0.0109508196721312 0.331770188980581 0.1886 0.5326 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C16 mock treatment 0.0045 0.0048 0.13 0.687 0.0136 0.44 0.00735483870967771 0.00595081967213116 0.180288291317292 0.437 0.881 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C17 compound treatment 0.0125 0.0128 0.36 0.686 0.0126 0.41 0.0163548387096777 0.0149508196721311 0.452955707111212 0.7058 0.9957 1134 ACon1_000057 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C18 compound treatment 0.0085 0.00884 0.25 0.686 0.0126 0.41 0.00635483870967771 0.00495081967213116 0.149991911784634 0.4661 0.9292 3557809 ACon1_000058 COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C19 compound treatment -0.0095 -0.0092 -0.26 0.673 -3.79E-4 -0.01 0.0143548387096777 0.0129508196721312 0.392362948045896 0.0705 0.1501 3559685 ACon1_000059 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc2ccc(O)cc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C20 compound treatment 0.0025 0.00284 0.08 0.678 0.00462 0.15 0.0123548387096777 0.0109508196721312 0.331770188980581 0.324 0.8695 3559829 ACon1_000060 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C21 compound treatment 0.0015 0.00183 0.05 0.68 0.00662 0.21 0.0103548387096777 0.00895081967213115 0.271177429915265 0.3102 0.8869 297849 ACon1_000061 COc1ccc2c(c1)[nH]c3c(C)nccc23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C22 compound treatment 0.0085 0.00879 0.25 0.679 0.00562 0.18 0.0393548387096777 0.0379508196721312 1.14977243636234 0.9115 0.766 3559835 ACon1_000062 COc1cc2ccc(=O)oc2c(CC=C(C)C)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C23 compound treatment 0.0075 0.00784 0.22 0.681 0.00762 0.25 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 0.2163 0.6298 3559675 ACon1_000063 Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]4[C@@H](Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 C24 compound treatment -5.0E-4 -2.03E-4 -0.01 0.684 0.0106 0.34 0.00835483870967771 0.00695081967213116 0.21058467084995 0.3173 0.7854 3557563 ACon1_000064 CC(=CC(O)C/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D01 compound treatment 0.0185 0.0188 0.53 0.684 0.0106 0.34 0.00735483870967771 0.00595081967213116 0.180288291317292 0.608 0.927 4614 ACon1_000065 CCCCCCC/C=C\[C@H](O)C#CC#C[C@@H](O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D02 compound treatment 0.0105 0.0108 0.3 0.674 6.21E-4 0.02 0.0063548387096777 0.00495081967213115 0.149991911784634 0.273 0.8067 3559481 ACon1_000066 C/C/1=C\[C@H]2OC(=O)C(=C)C2[C@@H](C\C(=C\CC1)\C)OC(=O)\C(=C\CO)\CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D03 compound treatment -0.0025 -0.0022 -0.06 0.673 -3.79E-4 -0.01 0.0083548387096777 0.00695081967213115 0.21058467084995 0.0788 0.3585 3558310 ACon1_000067 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D04 compound treatment -5.0E-4 -1.73E-4 0.0 0.667 -0.00638 -0.21 0.0223548387096777 0.0209508196721312 0.634733984307159 0.2441 0.3656 3559638 ACon1_000068 CC(=CCc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D05 compound treatment 0.0135 0.0138 0.39 0.677 0.00362 0.12 0.0113548387096777 0.00995081967213115 0.301473809447923 0.4659 0.9222 3555862 ACon1_000069 OC(=O)CCCCCCC/C=C/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D06 compound treatment 0.0175 0.0178 0.5 0.681 0.00762 0.25 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 0.4307 0.7719 3559157 ACon1_000070 COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D07 compound treatment 0.0125 0.0128 0.36 0.674 6.21E-4 0.02 0.0103548387096777 0.00895081967213115 0.271177429915265 0.3752 0.8338 3557565 ACon1_000071 CC(=CCC/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D08 compound treatment -5.0E-4 -1.73E-4 0.0 0.688 0.0146 0.47 0.0133548387096777 0.0119508196721311 0.362066568513239 0.4802 0.8045 3554888 ACon1_000072 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]6OCC(O)(CO)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D09 compound treatment 0.0125 0.0128 0.36 0.685 0.0116 0.38 -6.45161290322299E-4 -0.00204918032786885 -0.0620827449439708 0.3889 0.7421 3558155 ACon1_000073 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D10 compound treatment -0.0015 -0.0012 -0.03 0.673 -3.79E-4 -0.01 -0.0176451612903223 -0.0190491803278688 -0.577121196999154 -0.3598 -0.6222 3614338 ACon1_000074 CC(C)C(NC(=O)c1ccc(O)cc1)C(=O)N2CCCC2C(=O)Nc3c(O)cccc3C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D11 mock treatment -0.0055 -0.0052 -0.15 0.686 0.0126 0.41 0.0193548387096777 0.0179508196721312 0.543844845709186 0.4662 0.6696 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D12 mock treatment 0.0045 0.0048 0.13 0.678 0.00462 0.15 0.0123548387096777 0.0109508196721312 0.331770188980581 0.3558 0.9166 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D13 compound treatment 0.0115 0.0118 0.33 0.687 0.0136 0.44 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 0.4452 0.8065 1251 ACon1_000075 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D14 compound treatment -0.0025 -0.00217 -0.06 0.673 -3.79E-4 -0.01 0.0223548387096777 0.0209508196721312 0.634733984307159 0.3242 0.5083 3554269 ACon1_000076 CCCCCC(O)CC(O)CC(=O)OC(CC(O)CCCCC)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D15 mock treatment -0.0075 -0.00721 -0.2 0.667 -0.00638 -0.21 0.0063548387096777 0.00495081967213115 0.149991911784634 -0.1497 -0.4592 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D16 mock treatment -0.0015 -0.0012 -0.03 0.681 0.00762 0.25 0.00935483870967771 0.00795081967213116 0.240881050382608 0.2624 0.7564 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D17 compound treatment 0.0015 0.0018 0.05 0.675 0.00162 0.05 0.0213548387096777 0.0199508196721312 0.604437604774501 0.4084 0.6709 3559890 ACon1_000077 COc1c(O)cc2occ(c3ccccc3O)c(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D18 compound treatment 0.0095 0.0098 0.27 0.68 0.00662 0.21 0.0163548387096777 0.0149508196721311 0.452955707111212 0.5441 0.9519 3557697 ACon1_000078 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D19 compound treatment -0.0015 -0.0012 -0.03 0.664 -0.00938 -0.3 0.00935483870967771 0.00795081967213116 0.240881050382608 -0.0562 -0.1441 3557614 ACon1_000079 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D20 compound treatment 0.0155 0.0158 0.44 0.687 0.0136 0.44 0.0093548387096777 0.00795081967213115 0.240881050382607 0.65 0.9694 3554651 ACon1_000080 COC(=O)C(=C)[C@H]1[C@H](O)C2C(=C)C(=O)OC[C@]2(C[C@@H]1OC(=O)C(=C)CO)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D21 compound treatment -0.0035 -0.00321 -0.09 0.671 -0.00238 -0.08 0.0143548387096777 0.0129508196721312 0.392362948045896 0.1299 0.317 3558580 ACon1_000081 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D22 compound treatment 0.0105 0.0108 0.3 0.689 0.0156 0.51 0.00335483870967771 0.00195081967213116 0.0591027731866607 0.5016 0.8453 3557892 ACon1_000082 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3C[C@H](OC(=O)C)[C@](O)(COC(=O)C)[C@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D23 compound treatment 0.0035 0.0038 0.11 0.682 0.00862 0.28 0.0223548387096777 0.0209508196721312 0.634733984307159 0.5895 0.8399 3559584 ACon1_000083 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(CC3=CC[C@H]12)C(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 D24 compound treatment 0.0215 0.0218 0.61 0.692 0.0186 0.6 0.0263548387096777 0.0249508196721312 0.75591950243779 1.1386 0.9944 3554996 ACon1_000084 COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(CC[C@H](C5=CC(=O)OC5)[C@@]6(C)CCC34)C6=O)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E01 mock treatment -0.0185 -0.0182 -0.51 0.642 -0.0314 -1.02 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 -0.9355 -0.8188 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E02 mock treatment -0.0245 -0.0242 -0.68 0.679 0.00562 0.18 -0.0176451612903223 -0.0190491803278688 -0.577121196999154 -0.619 -0.6814 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E03 compound treatment -0.0405 -0.0402 -1.13 0.645 -0.0284 -0.92 -0.0246451612903223 -0.0260491803278688 -0.789195853727758 -1.6377 -0.9894 451 ACon1_000085 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E04 compound treatment -0.0235 -0.0232 -0.65 0.671 -0.00238 -0.08 -0.00964516129032229 -0.0110491803278688 -0.334750160737891 -0.613 -0.834 687 ACon1_000086 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E05 compound treatment -0.0425 -0.0422 -1.18 0.643 -0.0304 -0.99 0.0233548387096777 0.0219508196721312 0.665030363839817 -0.8679 -0.5175 1225 ACon1_000087 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E06 compound treatment -0.0165 -0.0162 -0.45 0.681 0.00762 0.25 0.0033548387096777 0.00195081967213115 0.0591027731866604 -0.0849 -0.1633 3557593 ACon1_000088 C/C(=C/CO)/CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E07 compound treatment 0.0155 0.0158 0.44 0.674 6.21E-4 0.02 -0.0446451612903223 -0.0460491803278688 -1.39512344438091 -0.5377 -0.3672 3559517 ACon1_000089 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@]1(CCc3ccoc3)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E08 compound treatment 0.0015 0.00183 0.05 0.688 0.0146 0.47 -0.0316451612903223 -0.0330491803278688 -1.00127051045636 -0.2746 -0.2475 3557755 ACon1_000090 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)c(OC)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E09 mock treatment 0.0245 0.0248 0.69 0.648 -0.0254 -0.82 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -0.0752 -0.0698 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E10 mock treatment -0.0185 -0.0182 -0.51 0.657 -0.0164 -0.53 -0.0026451612903223 -0.00404918032786885 -0.122675504009286 -0.6719 -0.9001 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E11 compound treatment -0.0155 -0.0152 -0.43 0.615 -0.0584 -1.89 -0.0066451612903223 -0.00804918032786885 -0.243861022139918 -1.4808 -0.7566 3559616 ACon1_000091 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E12 compound treatment -0.0315 -0.0312 -0.87 0.673 -3.79E-4 -0.01 -0.0146451612903223 -0.0160491803278689 -0.48623205840118 -0.7924 -0.7923 3557829 ACon1_000092 CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E13 compound treatment -0.0045 -0.00417 -0.12 0.659 -0.0144 -0.47 -0.0166451612903223 -0.0180491803278688 -0.546824817466496 -0.6527 -0.8961 1052342 ACon1_000093 Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E14 compound treatment -0.0315 -0.0312 -0.87 0.639 -0.0344 -1.12 0.00635483870967771 0.00495081967213116 0.149991911784634 -1.062 -0.7453 3555904 ACon1_000094 OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(O)(Cc4ccc(O)cc4)C(=O)c32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E15 compound treatment -0.0085 -0.00817 -0.23 0.683 0.00962 0.31 0.0083548387096777 0.00695081967213115 0.21058467084995 0.1695 0.3846 3554527 ACon1_000095 COC(=O)[C@@]1(O)C=CC[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E16 compound treatment -0.0395 -0.0392 -1.1 0.655 -0.0184 -0.6 -0.0136451612903223 -0.0150491803278689 -0.455935678868523 -1.2416 -0.9334 3558041 ACon1_000096 O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E17 mock treatment -0.0475 -0.0472 -1.32 0.654 -0.0194 -0.63 0.0143548387096777 0.0129508196721312 0.392362948045896 -0.9 -0.5937 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E18 mock treatment -0.0215 -0.0212 -0.59 0.671 -0.00238 -0.08 3.5483870967772E-4 -0.00104918032786883 -0.0317863654113124 -0.4057 -0.6767 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E19 compound treatment -0.0325 -0.0322 -0.9 0.66 -0.0134 -0.43 0.0113548387096777 0.00995081967213115 0.301473809447923 -0.5973 -0.5714 976 ACon1_000097 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E20 compound treatment -0.0295 -0.0292 -0.82 0.661 -0.0124 -0.4 0.0063548387096777 0.00495081967213115 0.149991911784634 -0.6174 -0.6687 3554687 ACon1_000098 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E21 compound treatment -0.0365 -0.0362 -1.01 0.629 -0.0444 -1.44 0.0193548387096777 0.0179508196721312 0.543844845709186 -1.103 -0.5983 3553328 ACon1_000099 CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@]3(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E22 compound treatment -0.0465 -0.0462 -1.29 0.661 -0.0124 -0.4 -0.0216451612903223 -0.0230491803278688 -0.698306715129785 -1.3824 -0.9068 3559845 ACon1_000100 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E23 compound treatment -0.0255 -0.0252 -0.71 0.62 -0.0534 -1.73 0.0113548387096777 0.00995081967213115 0.301473809447923 -1.2335 -0.651 1013994 ACon1_000101 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 E24 compound treatment 0.0105 0.0108 0.3 0.642 -0.0314 -1.02 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.5192 -0.4816 3554732 ACon1_000102 COC(=O)c1cccc2nc3c(cccc3nc12)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F01 mock treatment 0.0045 0.00484 0.14 0.555 -0.118 -3.84 -0.0756451612903223 -0.0770491803278689 -2.33431120989331 -3.4876 -0.7754 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F02 mock treatment 0.0145 0.0148 0.42 0.533 -0.14 -4.56 -0.0936451612903223 -0.0950491803278689 -2.87964604148115 -4.0528 -0.7497 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F03 compound treatment -0.2076 -0.207 -5.81 0.605 -0.0684 -2.22 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -4.6373 -0.7455 3557765 ACon1_000103 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F04 compound treatment -0.1756 -0.175 -4.91 0.599 -0.0744 -2.41 -0.128645161290322 -0.130049180327869 -3.94001932512416 -6.5055 -0.9645 3559590 ACon1_000104 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F05 compound treatment 0.0045 0.00483 0.14 0.606 -0.0674 -2.19 -0.00564516129032229 -0.00704918032786884 -0.21356464260726 -1.3077 -0.5941 3557685 ACon1_000105 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F06 compound treatment 0.0295 0.0298 0.84 0.611 -0.0624 -2.02 -0.093645161290322 -0.0950491803278685 -2.87964604148114 -2.3492 -0.6494 3554203 ACon1_000106 CCc1c(O)cc(OC)c2C(=O)C[C@@H](C)Oc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F07 compound treatment 0.0205 0.0208 0.58 0.687 0.0136 0.44 -0.0566451612903223 -0.0580491803278688 -1.75867999877281 -0.423 -0.2221 3558903 ACon1_000107 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F08 compound treatment 0.0305 0.0308 0.86 0.625 -0.0484 -1.57 -0.0556451612903223 -0.0570491803278688 -1.72838361924015 -1.406 -0.5648 3557773 ACon1_000108 COc1cc(/C=C/CO)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F09 mock treatment -0.0155 -0.0152 -0.43 0.525 -0.148 -4.82 -0.0886451612903223 -0.0900491803278689 -2.72816414381786 -4.6016 -0.829 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F10 mock treatment -0.1476 -0.147 -4.13 0.459 -0.214 -6.96 -0.0876451612903223 -0.0890491803278688 -2.6978677642852 -7.9585 -0.9332 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F11 compound treatment -0.0055 -0.0052 -0.15 0.5 -0.173 -5.63 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 -3.3863 -0.6015 3559308 ACon1_000109 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F12 compound treatment -0.1236 -0.123 -3.46 0.463 -0.21 -6.83 -0.00664516129032231 -0.00804918032786886 -0.243861022139918 -6.0782 -0.7939 1216977 ACon1_000110 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F13 compound treatment -0.0716 -0.0713 -2.0 0.635 -0.0384 -1.25 0.0133548387096777 0.0119508196721311 0.362066568513239 -1.6638 -0.6984 3559144 ACon1_000111 CC1CCC2(CCC3(C)C(=CCC4C5(C)C[C@@H](O)[C@@H](O)C(C)(CO)C5CCC43C)C2C1(C)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F14 compound treatment -0.0605 -0.0602 -1.69 0.526 -0.147 -4.78 -0.085645161290322 -0.0870491803278686 -2.63727500521988 -5.2582 -0.9198 3552034 ACon1_000112 C/C=C(\C)/C(=O)OC(\C=C\C(O)C(C)O)C1OC(=O)C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F15 compound treatment -0.0035 -0.00321 -0.09 0.654 -0.0194 -0.63 -0.0646451612903223 -0.0660491803278689 -2.00105103503407 -1.5703 -0.748 3552812 ACon1_000113 C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F16 compound treatment -0.0876 -0.0873 -2.45 0.589 -0.0844 -2.74 -0.0516451612903223 -0.0530491803278689 -1.60719810110952 -3.9217 -0.9783 3557622 ACon1_000114 COc1ccc(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F17 mock treatment -5.0E-4 -1.73E-4 0.0 0.577 -0.0964 -3.13 -0.0546451612903223 -0.0560491803278688 -1.69808723970749 -2.7891 -0.7836 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F18 mock treatment 0.0125 0.0128 0.36 0.566 -0.107 -3.48 -0.0396451612903223 -0.0410491803278688 -1.24364154671763 -2.5229 -0.6786 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F19 compound treatment 0.0215 0.0218 0.61 0.593 -0.0804 -2.61 -0.0306451612903223 -0.0320491803278689 -0.970974130923706 -1.714 -0.6014 3552693 ACon1_000115 C[C@@H]1CC[C@@]2(CC[C@]3(C)C4=CCC5C(C)(C)[C@H](CC[C@]5(C)C4CC[C@@]3(C)[C@@H]2[C@H]1C)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F20 compound treatment -0.0415 -0.0412 -1.15 0.594 -0.0794 -2.58 -0.0246451612903223 -0.0260491803278688 -0.789195853727758 -2.6095 -0.8902 3554774 ACon1_000116 COc1c(OC/C=C(\C)/CC2OC(=O)C(=C2)C)ccc3ccc(=O)oc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F21 compound treatment -0.0025 -0.0022 -0.06 0.562 -0.111 -3.61 0.0103548387096777 0.00895081967213115 0.271177429915265 -1.9661 -0.5423 3559078 ACon1_000117 CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC(C2O)C(=O)O)C(OC9OC(CO)C(O)C(O)C9O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F22 compound treatment 0.0105 0.0108 0.3 0.537 -0.136 -4.43 0.0213548387096777 0.0199508196721312 0.604437604774501 -2.0317 -0.4538 3557936 ACon1_000118 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)c(c4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F23 compound treatment 0.0145 0.0148 0.41 0.564 -0.109 -3.55 -0.0106451612903223 -0.0120491803278689 -0.365046540270549 -2.0209 -0.5625 3553532 ACon1_000119 CC(C)C(=O)OC1c2c(C)coc2C(=O)C3[C@@H](O)CC[C@H](C)[C@@]13C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 F24 compound treatment 0.0155 0.0158 0.44 0.68 0.00662 0.21 0.0293548387096777 0.0279508196721312 0.846808641035764 0.8687 0.8869 3614339 ACon1_000120 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G01 compound treatment 0.0155 0.0158 0.44 0.688 0.0146 0.47 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 0.5294 0.8147 3559490 ACon1_000121 CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)/CO)C(=CCC12)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G02 compound treatment 0.0125 0.0128 0.36 0.683 0.00962 0.31 0.0193548387096777 0.0179508196721312 0.543844845709186 0.702 0.971 3060043 ACon1_000122 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G03 mock treatment 0.0095 0.00984 0.28 0.682 0.00862 0.28 0.0163548387096777 0.0149508196721311 0.452955707111212 0.5823 0.9711 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G04 mock treatment 0.0375 0.0378 1.06 0.705 0.0316 1.03 0.0213548387096777 0.0199508196721312 0.604437604774501 1.5531 0.9744 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G05 compound treatment 0.0165 0.0168 0.47 0.694 0.0206 0.67 0.0213548387096777 0.0199508196721312 0.604437604774501 1.0071 0.99 3559421 ACon1_000123 C[C@H](C[C@@H]1CC=CC(=O)O1)OC(=O)CCc2ccc(O)c(O)c2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G06 compound treatment 0.0155 0.0158 0.44 0.704 0.0306 0.99 0.0313548387096777 0.0299508196721312 0.907401400101079 1.3532 0.9552 3559357 ACon1_000124 COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G07 compound treatment 0.0345 0.0348 0.98 0.709 0.0356 1.16 0.0333548387096777 0.0319508196721312 0.967994159166395 1.7895 0.9965 3559500 ACon1_000125 C[C@@]1(CCC2C(=C1)CCC3[C@@](C)(CCCC23C)C(=O)O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G08 compound treatment -0.0145 -0.0142 -0.4 0.626 -0.0474 -1.54 -0.0266451612903223 -0.0280491803278689 -0.849788612793074 -1.6078 -0.8926 3553967 ACon1_000126 CC1CC(=O)c2c(O)c3c(O)cc(O)c(c4c(O)cc(O)c5c(O)c6C(=O)CC(C)Oc6cc45)c3cc2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G09 compound treatment 0.0245 0.0248 0.69 0.691 0.0176 0.57 0.0313548387096777 0.0299508196721312 0.907401400101079 1.2553 0.9822 3559571 ACon1_000127 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)\COC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G10 compound treatment 0.0155 0.0158 0.44 0.686 0.0126 0.41 0.0243548387096777 0.0229508196721312 0.695326743372475 0.8942 0.9709 3557671 ACon1_000128 OCCC(=O)c1ccc(O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G11 compound treatment 0.0135 0.0138 0.39 0.697 0.0236 0.77 0.0193548387096777 0.0179508196721312 0.543844845709186 0.9798 0.964 3559625 ACon1_000129 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCc2ccoc2)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G12 compound treatment 0.0075 0.00779 0.22 0.694 0.0206 0.67 0.0293548387096777 0.0279508196721312 0.846808641035764 1.0013 0.9093 3554892 ACon1_000130 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G13 compound treatment 0.0335 0.0338 0.95 0.704 0.0306 0.99 0.0213548387096777 0.0199508196721312 0.604437604774501 1.4696 0.9797 3552088 ACon1_000131 C/C=C/C=C/C(=O)NCCc1ccccc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G14 compound treatment 0.0105 0.0108 0.3 0.696 0.0226 0.73 0.0233548387096777 0.0219508196721312 0.665030363839817 0.9825 0.9486 3554659 ACon1_000132 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G15 compound treatment 0.0095 0.00979 0.27 0.701 0.0276 0.9 0.0323548387096777 0.0309508196721312 0.937697779633737 1.2173 0.9181 3559582 ACon1_000133 CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G16 compound treatment 0.0115 0.0118 0.33 0.684 0.0106 0.34 0.0053548387096777 0.00395081967213115 0.119695532251976 0.4591 0.9322 3552120 ACon1_000134 C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)/C=C/c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G17 compound treatment 0.0315 0.0318 0.89 0.701 0.0276 0.9 0.0283548387096777 0.0269508196721312 0.816512261503106 1.5035 0.9991 926 ACon1_000135 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G18 compound treatment 0.0235 0.0238 0.67 0.69 0.0166 0.54 0.0213548387096777 0.0199508196721312 0.604437604774501 1.0461 0.9962 3559321 ACon1_000136 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@]54C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G19 mock treatment 0.0245 0.0248 0.69 0.702 0.0286 0.93 0.0173548387096777 0.0159508196721312 0.48325208664387 1.2165 0.968 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G20 mock treatment -0.0035 -0.00321 -0.09 0.666 -0.00738 -0.24 0.0173548387096777 0.0159508196721312 0.48325208664387 0.0887 0.1622 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G21 compound treatment 0.0205 0.0208 0.58 0.696 0.0226 0.73 0.0203548387096777 0.0189508196721312 0.574141225241843 1.0918 0.9933 3559673 ACon1_000137 CC(=O)OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@@H]21 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G22 compound treatment 0.0115 0.0118 0.33 0.684 0.0106 0.34 0.0183548387096777 0.0169508196721312 0.513548466176528 0.6871 0.9789 3557624 ACon1_000138 COc1ccc(/C=C/C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G23 compound treatment 0.0145 0.0148 0.42 0.687 0.0136 0.44 0.0213548387096777 0.0199508196721312 0.604437604774501 0.8444 0.9857 895 ACon1_000139 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)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 G24 compound treatment 0.0025 0.0028 0.08 0.671 -0.00238 -0.08 0.00935483870967771 0.00795081967213116 0.240881050382608 0.1398 0.5277 3551965 ACon1_000140 C/C(=C\CC[C@](C)(O)C=C)/C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@]13O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H01 compound treatment 0.0255 0.0258 0.72 0.669 -0.00438 -0.14 0.0103548387096777 0.00895081967213115 0.271177429915265 0.4927 0.6265 3559838 ACon1_000141 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H02 compound treatment 0.0075 0.00784 0.22 0.675 0.00162 0.05 0.0263548387096777 0.0249508196721312 0.75591950243779 0.5937 0.7524 3559607 ACon1_000142 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H03 mock treatment -0.0025 -0.0022 -0.06 0.682 0.00862 0.28 0.0043548387096777 0.00295081967213115 0.0893991527193182 0.1775 0.5913 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H04 mock treatment 0.0235 0.0238 0.67 0.689 0.0156 0.51 0.0153548387096777 0.0139508196721311 0.422659327578554 0.9226 0.9822 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H05 compound treatment 0.0245 0.0248 0.7 0.675 0.00162 0.05 0.0213548387096777 0.0199508196721312 0.604437604774501 0.7812 0.846 1322 ACon1_000143 COc1cc2ccc(=O)oc2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H06 compound treatment 0.0115 0.0118 0.33 0.687 0.0136 0.44 0.0243548387096777 0.0229508196721312 0.695326743372475 0.8475 0.9546 3559370 ACon1_000144 COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H07 compound treatment -0.0205 -0.0202 -0.57 0.608 -0.0654 -2.12 -0.0116451612903223 -0.0130491803278689 -0.395342919803207 -1.7797 -0.7976 3558770 ACon1_000145 Oc1cc(cc(O)c1O)C(=O)OC[C@H]2O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H]2OC(=O)c6cc(O)c(O)c(O)c6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H08 compound treatment 0.0075 0.0078 0.22 0.676 0.00262 0.09 0.00935483870967771 0.00795081967213116 0.240881050382608 0.3144 0.9351 3557705 ACon1_000146 O=C(/C=C/CCc1ccc2OCOc2c1)N3CCCCC3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H09 compound treatment 0.0265 0.0268 0.75 0.694 0.0206 0.67 0.0123548387096777 0.0109508196721312 0.331770188980581 1.0115 0.955 3553890 ACon1_000147 CC1(O)CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H10 compound treatment 0.0235 0.0238 0.67 0.691 0.0176 0.57 0.0393548387096777 0.0379508196721312 1.14977243636234 1.3797 0.9531 3554182 ACon1_000148 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H11 compound treatment 0.0075 0.00779 0.22 0.683 0.00962 0.31 0.0103548387096777 0.00895081967213115 0.271177429915265 0.463 0.9899 3557869 ACon1_000149 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H12 compound treatment 0.0085 0.00879 0.25 0.683 0.00962 0.31 0.0143548387096777 0.0129508196721312 0.392362948045896 0.549 0.9827 3555354 ACon1_000150 COc1oc2cccc(C)c2c(=O)c1C(C)(C)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H13 compound treatment 0.0315 0.0318 0.89 0.697 0.0236 0.77 0.0153548387096777 0.0139508196721311 0.422659327578554 1.2012 0.9615 3553324 ACon1_000151 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)C2(O)C=CCCC2=O)O[C@H]1Oc3ccccc3COC(=O)C4(O)C=CCCC4=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H14 compound treatment 0.0225 0.0228 0.64 0.697 0.0236 0.77 0.0263548387096777 0.0249508196721312 0.75591950243779 1.2479 0.9968 3557583 ACon1_000152 CC1CCC2=C(CCCC2(C)C(=O)O)C1(C)CCc3ccoc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H15 compound treatment 0.0205 0.0208 0.58 0.69 0.0166 0.54 0.0193548387096777 0.0179508196721312 0.543844845709186 0.9625 0.9994 3558739 ACon1_000153 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H16 compound treatment 0.0245 0.0248 0.69 0.69 0.0166 0.54 0.0123548387096777 0.0109508196721312 0.331770188980581 0.9042 0.9617 3557708 ACon1_000154 C[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@@H](O)[C@@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H17 compound treatment 0.0315 0.0318 0.89 0.689 0.0156 0.51 0.0153548387096777 0.0139508196721311 0.422659327578554 1.0519 0.9477 3557703 ACon1_000155 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCC3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H18 compound treatment 0.0045 0.0048 0.13 0.682 0.00862 0.28 0.00735483870967771 0.00595081967213116 0.180288291317292 0.3433 0.9562 3557644 ACon1_000156 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@@]9(CCC(C)(C)CC98)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H19 mock treatment 0.0265 0.0268 0.75 0.693 0.0196 0.64 0.0183548387096777 0.0169508196721312 0.513548466176528 1.0977 0.9885 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H20 mock treatment 0.0175 0.0178 0.5 0.688 0.0146 0.47 0.0103548387096777 0.00895081967213115 0.271177429915265 0.7186 0.971 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H21 compound treatment 0.0165 0.0168 0.47 0.685 0.0116 0.38 0.0103548387096777 0.00895081967213115 0.271177429915265 0.6468 0.9767 3559541 ACon1_000157 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]2C(=C)[C@H](O)C[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H22 compound treatment 0.0105 0.0108 0.3 0.687 0.0136 0.44 0.0133548387096777 0.0119508196721311 0.362066568513239 0.639 0.9882 3557933 ACon1_000158 C/C=C(/C)\C(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H23 compound treatment 0.0175 0.0178 0.5 0.691 0.0176 0.57 0.0373548387096777 0.0359508196721312 1.08917967729703 1.2471 0.9394 3555130 ACon1_000159 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 H24 compound treatment -0.0105 -0.0102 -0.29 0.694 0.0206 0.67 0.0153548387096777 0.0139508196721311 0.422659327578554 0.4657 0.5535 3557750 ACon1_000160 O[C@@H]1C=C(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I01 compound treatment 0.0035 0.00383 0.11 0.674 6.21E-4 0.02 -0.0086451612903223 -0.0100491803278689 -0.304453781205233 -0.1022 -0.316 3559527 ACon1_000161 CC1=CC[C@@H]2[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](CC2=C)OC(=O)/C(=C/CO)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I02 compound treatment -0.0165 -0.0162 -0.45 0.661 -0.0124 -0.4 3.548387096777E-4 -0.00104918032786885 -0.031786365411313 -0.5121 -0.8441 2120761 ACon1_000162 COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I03 compound treatment 0.0115 0.0118 0.33 0.669 -0.00438 -0.14 0.00735483870967771 0.00595081967213116 0.180288291317292 0.2136 0.5294 3559509 ACon1_000163 COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)CC3(CCC12)C=C4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I04 compound treatment -0.0235 -0.0232 -0.65 0.651 -0.0224 -0.73 -0.0146451612903223 -0.0160491803278689 -0.48623205840118 -1.0758 -0.9872 3557562 ACon1_000164 C/C(=C\COc1ccc2ccc(=O)oc2c1)/CC3OC(=O)C(=C3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I05 mock treatment 0.0015 0.00184 0.05 0.668 -0.00538 -0.17 0.0183548387096777 0.0169508196721312 0.513548466176528 0.2254 0.4137 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I06 mock treatment -0.0075 -0.00721 -0.2 0.668 -0.00538 -0.17 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -0.2184 -0.8175 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I07 compound treatment -0.0015 -0.0012 -0.03 0.672 -0.00138 -0.04 0.0173548387096777 0.0159508196721312 0.48325208664387 0.2337 0.4803 3552640 ACon1_000165 C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1CCC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I08 compound treatment -0.0175 -0.0172 -0.48 0.668 -0.00538 -0.17 -0.0056451612903223 -0.00704918032786885 -0.21356464260726 -0.5026 -0.9045 3557649 ACon1_000166 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I09 compound treatment 0.0125 0.0128 0.36 0.689 0.0156 0.51 0.0053548387096777 0.00395081967213115 0.119695532251976 0.5688 0.8995 1036721 ACon1_000167 Oc1c(oc2ccccc2c1=O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I10 compound treatment 0.0055 0.00584 0.16 0.664 -0.00938 -0.3 0.00835483870967771 0.00695081967213116 0.21058467084995 0.0403 0.0996 3555603 ACon1_000168 O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I11 compound treatment -0.0085 -0.0082 -0.23 0.67 -0.00338 -0.11 0.0123548387096777 0.0109508196721312 0.331770188980581 -0.0046 -0.0109 3553943 ACon1_000169 CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@@H](CC[C@]21C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I12 compound treatment 5.0E-4 7.97E-4 0.02 0.672 -0.00138 -0.04 -0.0026451612903223 -0.00404918032786885 -0.122675504009286 -0.0838 -0.6324 3554710 ACon1_000170 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I13 compound treatment 0.0115 0.0118 0.33 0.684 0.0106 0.34 0.00835483870967771 0.00695081967213116 0.21058467084995 0.5115 0.9799 3559593 ACon1_000171 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I14 compound treatment 0.0025 0.00284 0.08 0.671 -0.00238 -0.08 0.0033548387096777 0.00195081967213115 0.0591027731866604 0.0355 0.2823 3553879 ACon1_000172 CC1(C)O[C@H]2CC(=O)OC[C@]23C4CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]65[C@]4(C)C(=O)C(=C13)O)c7ccoc7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I15 compound treatment -0.0115 -0.0112 -0.31 0.666 -0.00738 -0.24 0.00735483870967771 0.00595081967213116 0.180288291317292 -0.2157 -0.4965 1032910 ACon1_000173 COc1ccc2OC(CC(=O)c2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I16 compound treatment -0.0195 -0.0192 -0.54 0.655 -0.0184 -0.6 -0.0056451612903223 -0.00704918032786885 -0.21356464260726 -0.7787 -0.9364 1362 ACon1_000174 COc1c2occc2cc3ccc(=O)oc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I17 compound treatment 0.0205 0.0208 0.58 0.691 0.0176 0.57 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 0.6133 0.7464 1568908 ACon1_000175 COc1cccc2oc(cc(=O)c12)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I18 compound treatment 0.0125 0.0128 0.36 0.696 0.0226 0.73 -0.0036451612903223 -0.00504918032786885 -0.152971883541944 0.5425 0.6527 1498810 ACon1_000176 CC(=CCOc1c2ccoc2cc3oc(=O)ccc13)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I19 compound treatment -0.0145 -0.0142 -0.4 0.659 -0.0144 -0.47 0.0063548387096777 0.00495081967213115 0.149991911784634 -0.4129 -0.6536 1913676 ACon1_000177 COc1ccc(cc1)C(=O)/C=C/c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I20 compound treatment -0.0105 -0.0102 -0.29 0.672 -0.00138 -0.04 3.548387096777E-4 -0.00104918032786885 -0.031786365411313 -0.2094 -0.7187 3559840 ACon1_000178 COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I21 mock treatment 0.0135 0.0138 0.39 0.686 0.0126 0.41 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 0.354 0.5975 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I22 mock treatment 0.0085 0.00884 0.25 0.679 0.00562 0.18 3.54838709677701E-4 -0.00104918032786885 -0.031786365411313 0.23 0.7436 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I23 compound treatment 0.0115 0.0118 0.33 0.683 0.00962 0.31 0.0113548387096777 0.00995081967213115 0.301473809447923 0.5453 0.9993 1539 ACon1_000179 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 I24 compound treatment -0.0025 -0.0022 -0.06 0.673 -3.79E-4 -0.01 -0.0266451612903223 -0.0280491803278689 -0.849788612793074 -0.5333 -0.6259 3559836 ACon1_000180 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J01 compound treatment -0.0115 -0.0112 -0.31 0.662 -0.0114 -0.37 -0.0286451612903223 -0.0300491803278688 -0.91038137185839 -0.9203 -0.8922 3557805 ACon1_000181 CC1=CC(CC2(C)OC2COc3c4occc4cc5ccc(=O)oc35)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J02 compound treatment -0.0535 -0.0532 -1.49 0.624 -0.0494 -1.6 -0.0156451612903223 -0.0170491803278688 -0.516528437933838 -2.0842 -0.9268 3559624 ACon1_000182 COc1ccc(cc1)C2CC(=O)Oc3cc(O)cc(O)c23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J03 compound treatment -0.0295 -0.0292 -0.82 0.648 -0.0254 -0.82 -0.0416451612903223 -0.0430491803278689 -1.30423430578294 -1.7014 -0.9742 3559225 ACon1_000183 CC(=O)OCC(=C)[C@@H]1Cc2cc(ccc2O1)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J04 compound treatment -0.0015 -0.00121 -0.03 0.666 -0.00738 -0.24 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.2637 -0.869 2060480 ACon1_000184 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J05 mock treatment -0.0235 -0.0232 -0.65 0.657 -0.0164 -0.53 -0.0136451612903223 -0.0150491803278689 -0.455935678868523 -0.9453 -0.9895 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J06 mock treatment -5.0E-4 -1.73E-4 0.0 0.661 -0.0124 -0.4 0.00635483870967771 0.00495081967213116 0.149991911784634 -0.1482 -0.3455 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J07 compound treatment -0.0185 -0.0182 -0.51 0.67 -0.00338 -0.11 -0.0206451612903223 -0.0220491803278688 -0.668010335597127 -0.743 -0.8771 3559346 ACon1_000185 C[C@H]1[C@H]2[C@H](CC3C4C[C@H](OC5OC(C)C(O)C(O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C5O)C7C[C@@H](O)CC[C@]7(C)C4CC[C@]23C)OC81OCC(C)CC8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J08 compound treatment -0.0025 -0.0022 -0.06 0.674 6.21E-4 0.02 -0.0056451612903223 -0.00704918032786885 -0.21356464260726 -0.1473 -0.66 3614341 ACon1_000186 COc1c2C(=O)OCc2c(C)c3OC4(C)CC5(O)OCC6(C)OC7(CCC(C)(C4Cc13)C65O7)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J09 compound treatment 5.0E-4 7.97E-4 0.02 0.679 0.00562 0.18 -0.0186451612903223 -0.0200491803278689 -0.607417576531812 -0.2325 -0.3663 3554184 ACon1_000187 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J10 compound treatment -0.0185 -0.0182 -0.51 0.651 -0.0224 -0.73 -0.0076451612903223 -0.00904918032786885 -0.274157401672576 -0.8724 -0.9389 3557772 ACon1_000188 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J11 compound treatment -0.0115 -0.0112 -0.31 0.673 -3.79E-4 -0.01 0.0073548387096777 0.00595081967213115 0.180288291317292 -0.0844 -0.2328 3199169 ACon1_000189 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J12 compound treatment -0.0045 -0.0042 -0.12 0.645 -0.0284 -0.92 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.7056 -0.7455 3557412 ACon1_000190 Oc1ccc(/C=C\NC=O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J13 compound treatment -0.0435 -0.0432 -1.21 0.649 -0.0244 -0.79 -0.0146451612903223 -0.0160491803278689 -0.48623205840118 -1.4364 -0.9415 3552568 ACon1_000191 C[C@@H](C1CC[C@H]2C3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)C3CC[C@]12C)C6CC(=C(CO)C(=O)O6)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J14 compound treatment -0.0375 -0.0372 -1.04 0.627 -0.0464 -1.51 -0.0196451612903223 -0.0210491803278688 -0.637713956064469 -1.839 -0.9485 3614342 ACon1_000192 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J15 compound treatment -5.0E-4 -2.03E-4 -0.01 0.673 -3.79E-4 -0.01 -0.0066451612903223 -0.00804918032786885 -0.243861022139918 -0.1512 -0.619 3557791 ACon1_000193 CC(=CCc1c2OC(CC(=O)c2c(O)c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J16 compound treatment -0.0115 -0.0112 -0.31 0.656 -0.0174 -0.56 -0.0146451612903223 -0.0160491803278689 -0.48623205840118 -0.7879 -0.9747 3557677 ACon1_000194 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J17 compound treatment 0.0115 0.0118 0.33 0.674 6.21E-4 0.02 -0.0216451612903223 -0.0230491803278688 -0.698306715129785 -0.2006 -0.2595 3558159 ACon1_000195 COc1cc(ccc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J18 compound treatment -0.0045 -0.0042 -0.12 0.667 -0.00638 -0.21 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -0.1884 -0.7909 3557646 ACon1_000196 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@@]9(CCC(C)(C)CC98)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J19 compound treatment -0.0015 -0.0012 -0.03 0.67 -0.00338 -0.11 -0.0086451612903223 -0.0100491803278689 -0.304453781205233 -0.2586 -0.7947 3559382 ACon1_000197 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J20 compound treatment 0.0065 0.00679 0.19 0.668 -0.00538 -0.17 0.00835483870967771 0.00695081967213116 0.21058467084995 0.1307 0.3922 3557547 ACon1_000198 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(=O)CC2(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J21 mock treatment 0.0015 0.0018 0.05 0.674 6.21E-4 0.02 -0.00764516129032229 -0.00904918032786884 -0.274157401672575 -0.1176 -0.4207 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J22 mock treatment 5.0E-4 7.97E-4 0.02 0.664 -0.00938 -0.3 -0.0156451612903223 -0.0170491803278688 -0.516528437933838 -0.4611 -0.7685 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J23 compound treatment -0.0045 -0.00421 -0.12 0.659 -0.0144 -0.47 -0.0286451612903223 -0.0300491803278688 -0.91038137185839 -0.8632 -0.8382 3559530 ACon1_000199 C[C@H]1C[C@@H]2O[C@@]31CCC(=C3[C@H]4OC(=O)C(=C)[C@@H]24)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 J24 compound treatment 0.0105 0.0108 0.3 0.647 -0.0264 -0.86 0.0043548387096777 0.00295081967213115 0.0893991527193182 -0.2679 -0.2936 3557731 ACon1_000200 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3occ(c4ccc(O)cc4)c(=O)c13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K01 compound treatment 0.0205 0.0208 0.58 0.694 0.0206 0.67 0.00635483870967771 0.00495081967213116 0.149991911784634 0.8103 0.8994 3558170 ACon1_000201 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO)\CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K02 compound treatment -0.0035 -0.00317 -0.09 0.676 0.00262 0.09 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.1081 -0.4895 1449 ACon1_000202 CN1[C@@H](CCC1=O)c2cccnc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K03 compound treatment 0.0075 0.00784 0.22 0.69 0.0166 0.54 0.0083548387096777 0.00695081967213115 0.21058467084995 0.5599 0.904 3553119 ACon1_000203 C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K04 compound treatment -0.0395 -0.0392 -1.1 0.68 0.00662 0.21 0.0133548387096777 0.0119508196721311 0.362066568513239 -0.3008 -0.2558 3557742 ACon1_000204 CC(=CCc1cc(O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K05 compound treatment 0.0115 0.0118 0.33 0.694 0.0206 0.67 0.0133548387096777 0.0119508196721311 0.362066568513239 0.7864 0.9478 3559441 ACon1_000205 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K06 compound treatment 0.013 0.0133 0.37 0.696 0.0226 0.73 0.0173548387096777 0.0159508196721312 0.48325208664387 0.9186 0.9618 3557579 ACon1_000206 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K07 mock treatment -0.0295 -0.0292 -0.82 0.651 -0.0224 -0.73 0.0303548387096777 0.0289508196721312 0.877105020568422 -0.3852 -0.2747 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K08 mock treatment 0.0015 0.0018 0.05 0.678 0.00462 0.15 0.0193548387096777 0.0179508196721312 0.543844845709186 0.4297 0.7586 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K09 compound treatment -0.0015 -0.00121 -0.03 0.681 0.00762 0.25 0.0153548387096777 0.0139508196721311 0.422659327578554 0.3673 0.7482 1442461 ACon1_000207 COc1ccc2c(=O)cc(oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K10 compound treatment -0.0255 -0.0252 -0.71 0.689 0.0156 0.51 0.0143548387096777 0.0129508196721312 0.392362948045896 0.1119 0.1174 3554705 ACon1_000208 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K11 compound treatment 0.0525 0.0528 1.48 0.693 0.0196 0.64 0.0263548387096777 0.0249508196721312 0.75591950243779 1.6585 0.9319 3054523 ACon1_000209 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K12 compound treatment -0.0025 -0.00216 -0.06 0.685 0.0116 0.38 0.0043548387096777 0.00295081967213115 0.0893991527193182 0.2343 0.5973 3559363 ACon1_000210 C/C/1=C\CC\C(=C\CC\C(=C\C2OC(=O)C(=C)C2CC1)\C)\C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K13 compound treatment -0.0395 -0.0392 -1.1 0.632 -0.0414 -1.34 0.00235483870967771 9.5081967213116E-4 0.0288063936540029 -1.3928 -0.8027 1250866 ACon1_000211 COc1ccc(cc1)C2CC(=O)c3ccccc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K14 compound treatment 0.0135 0.0138 0.39 0.697 0.0236 0.77 0.0163548387096777 0.0149508196721311 0.452955707111212 0.9273 0.9553 3557490 ACon1_000212 CC12CCCC(CO)(CO)C2C(=O)CC3(CC4CCC31)CC4=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K15 mock treatment -0.0235 -0.0232 -0.65 0.687 0.0136 0.44 0.0223548387096777 0.0209508196721312 0.634733984307159 0.2466 0.2441 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K16 mock treatment 0.0105 0.0108 0.3 0.684 0.0106 0.34 0.0153548387096777 0.0139508196721311 0.422659327578554 0.6178 0.9904 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K17 compound treatment -0.0125 -0.0122 -0.34 0.667 -0.00638 -0.21 0.00435483870967771 0.00295081967213116 0.0893991527193185 -0.2655 -0.6478 3559604 ACon1_000213 Oc1ccc2C(=O)/C(=C/c3ccc(O)c(O)c3)/Oc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K18 compound treatment 0.0155 0.0158 0.44 0.688 0.0146 0.47 0.00935483870967771 0.00795081967213116 0.240881050382608 0.6686 0.9659 3557612 ACon1_000214 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3OC(=O)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K19 compound treatment 0.0125 0.0128 0.36 0.686 0.0126 0.41 -0.0036451612903223 -0.00504918032786885 -0.152971883541944 0.3553 0.6282 3559756 ACon1_000215 CC(=CCC[C@](C)(O)C1CC[C@]2(C)C1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]32C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K20 compound treatment -0.0025 -0.00221 -0.06 0.669 -0.00438 -0.14 0.0123548387096777 0.0109508196721312 0.331770188980581 0.0737 0.2011 3559323 ACon1_000216 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@]54C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K21 compound treatment -0.0135 -0.0132 -0.37 0.687 0.0136 0.44 0.00735483870967771 0.00595081967213116 0.180288291317292 0.1462 0.2423 1026747 ACon1_000217 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K22 compound treatment 0.0165 0.0168 0.47 0.653 -0.0204 -0.66 0.0213548387096777 0.0199508196721312 0.604437604774501 0.2396 0.2366 3559843 ACon1_000218 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K23 mock treatment 0.0015 0.0018 0.05 0.684 0.0106 0.34 0.0133548387096777 0.0119508196721311 0.362066568513239 0.4371 0.87 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 K24 mock treatment 0.0085 0.0088 0.25 0.677 0.00362 0.12 0.0193548387096777 0.0179508196721312 0.543844845709186 0.5242 0.8614 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L01 compound treatment -0.0065 -0.00617 -0.17 0.652 -0.0214 -0.69 -0.0066451612903223 -0.00804918032786885 -0.243861022139918 -0.6413 -0.8488 3526 ACon1_000219 Oc1ccc2ccc(=O)oc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L02 compound treatment 0.0015 0.0018 0.05 0.671 -0.00238 -0.08 0.0263548387096778 0.0249508196721313 0.755919502437793 0.4209 0.5527 3559553 ACon1_000220 C/C=C(\C)/C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)C)[C@H]1C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L03 compound treatment -0.0055 -0.0052 -0.15 0.674 6.21E-4 0.02 0.00135483870967771 -4.91803278688399E-5 -0.00148998587865492 -0.0735 -0.4988 3558112 ACon1_000221 COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L04 compound treatment 0.0025 0.00283 0.08 0.671 -0.00238 -0.08 -0.0086451612903223 -0.0100491803278689 -0.304453781205233 -0.1746 -0.539 3559775 ACon1_000222 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L05 compound treatment 0.0155 0.0158 0.44 0.679 0.00562 0.18 0.00235483870967771 9.5081967213116E-4 0.0288063936540029 0.3783 0.7867 2137 ACon1_000223 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L06 compound treatment 0.0185 0.0188 0.53 0.686 0.0126 0.41 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 0.4872 0.7233 3559437 ACon1_000224 CC(=CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L07 mock treatment -0.0015 -0.0012 -0.03 0.674 6.21E-4 0.02 -0.0086451612903223 -0.0100491803278689 -0.304453781205233 -0.1836 -0.5982 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L08 mock treatment 0.0105 0.0108 0.3 0.672 -0.00138 -0.04 -0.0096451612903223 -0.0110491803278689 -0.334750160737891 -0.0438 -0.0964 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L09 compound treatment -0.0415 -0.0412 -1.15 0.688 0.0146 0.47 0.0103548387096777 0.00895081967213115 0.271177429915265 -0.236 -0.1847 3559831 ACon1_000225 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L10 compound treatment -5.0E-4 -1.73E-4 0.0 0.668 -0.00538 -0.17 0.00735483870967771 0.00595081967213116 0.180288291317292 5.0E-4 0.0019 3558043 ACon1_000226 COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L11 compound treatment -0.0045 -0.00417 -0.12 0.662 -0.0114 -0.37 -6.45161290322299E-4 -0.00204918032786885 -0.0620827449439708 -0.3166 -0.807 3554965 ACon1_000227 COc1cc(O)c(C(=O)O)c(c1)c2cc(O)c(O)cc2C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L12 compound treatment -0.0095 -0.00916 -0.26 0.681 0.00762 0.25 -0.0116451612903223 -0.0130491803278689 -0.395342919803207 -0.2338 -0.4391 3180152 ACon1_000228 CC(=C)[C@@H]1CC[C@]2(COC(=O)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L13 compound treatment 0.019 0.0193 0.54 0.684 0.0106 0.34 0.00735483870967771 0.00595081967213116 0.180288291317292 0.6159 0.9234 3551952 ACon1_000229 C/C(=C\1/CCC2(COC3C2)C1CCC3(O)C(=O)O)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L14 compound treatment -0.0055 -0.0052 -0.15 0.678 0.00462 0.15 0.0113548387096777 0.00995081967213115 0.301473809447923 0.1764 0.4807 3557691 ACon1_000230 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(CCC3(C)O)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L15 mock treatment 0.0125 0.0128 0.36 0.69 0.0166 0.54 0.0073548387096777 0.00595081967213115 0.180288291317292 0.6226 0.9259 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L16 mock treatment 0.0085 0.0088 0.25 0.676 0.00262 0.09 0.00435483870967771 0.00295081967213116 0.0893991527193185 0.2431 0.8816 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L17 compound treatment 0.0055 0.00579 0.16 0.677 0.00362 0.12 0.0203548387096777 0.0189508196721312 0.574141225241843 0.493 0.8107 1029504 ACon1_000231 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L18 compound treatment 0.0015 0.0018 0.05 0.68 0.00662 0.21 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 0.1523 0.69 3557784 ACon1_000232 O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L19 compound treatment 0.0095 0.0098 0.27 0.68 0.00662 0.21 0.0063548387096777 0.00495081967213115 0.149991911784634 0.3692 0.9726 3555882 ACon1_000233 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L20 compound treatment 0.0015 0.0018 0.05 0.678 0.00462 0.15 0.00335483870967771 0.00195081967213116 0.0591027731866607 0.1498 0.887 3557549 ACon1_000234 C[C@](OC(=O)/C=C/c1ccc(O)c(O)c1)([C@@H](O)CO)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L21 compound treatment -0.0055 -0.00521 -0.15 0.671 -0.00238 -0.08 0.0143548387096777 0.0129508196721312 0.392362948045896 0.0976 0.2291 3559569 ACon1_000235 COC(=O)/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L22 compound treatment -5.0E-4 -2.03E-4 -0.01 0.683 0.00962 0.31 0.0163548387096777 0.0149508196721311 0.452955707111212 0.4385 0.797 3557634 ACon1_000236 C/C=C(/C)\C(=O)OC1C(OC(=O)/C(=C\C)/C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L23 mock treatment 0.0185 0.0188 0.53 0.688 0.0146 0.47 0.0033548387096777 0.00195081967213115 0.0591027731866604 0.613 0.8604 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 L24 mock treatment 0.0215 0.0218 0.61 0.694 0.0206 0.67 0.0213548387096777 0.0199508196721312 0.604437604774501 1.088 0.9989 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M01 compound treatment 0.0125 0.0128 0.36 0.679 0.00562 0.18 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 0.3122 0.7739 3559074 ACon1_000237 COc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M02 compound treatment -0.0035 -0.0032 -0.09 0.682 0.00862 0.28 -0.0126451612903223 -0.0140491803278689 -0.425639299335865 -0.1361 -0.2631 959 ACon1_000238 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M03 compound treatment -0.0335 -0.0332 -0.93 0.663 -0.0104 -0.34 -0.0106451612903223 -0.0120491803278689 -0.365046540270549 -0.9421 -0.8937 1002015 ACon1_000239 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M04 compound treatment 0.0055 0.0058 0.16 0.661 -0.0124 -0.4 0.0023548387096777 9.5081967213115E-4 0.0288063936540026 -0.1215 -0.2797 3557491 ACon1_000240 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(=O)CC45C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M05 compound treatment 0.0185 0.0188 0.53 0.683 0.00962 0.31 0.00735483870967771 0.00595081967213116 0.180288291317292 0.5885 0.9219 3559514 ACon1_000241 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M06 compound treatment -0.0065 -0.0062 -0.17 0.661 -0.0124 -0.4 0.0143548387096777 0.0129508196721312 0.392362948045896 -0.1058 -0.18 3558910 ACon1_000242 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)[C@@H]2[C@@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M07 compound treatment 5.0E-4 7.97E-4 0.02 0.677 0.00362 0.12 0.0123548387096777 0.0109508196721312 0.331770188980581 0.2723 0.7721 3559317 ACon1_000243 C[C@@H]1CC[C@@H](/C=C(\C)/C(=O)O)C2=C(C)C[C@@H](OC(=O)C)[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M08 compound treatment -0.0295 -0.0292 -0.82 0.656 -0.0174 -0.56 3.548387096777E-4 -0.00104918032786885 -0.031786365411313 -0.8161 -0.8211 3552818 ACon1_000244 C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5cc(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M09 mock treatment -0.0065 -0.0062 -0.17 0.667 -0.00638 -0.21 -0.0226451612903223 -0.0240491803278689 -0.728603094662443 -0.6406 -0.8243 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M10 mock treatment -0.0135 -0.0132 -0.37 0.655 -0.0184 -0.6 -0.0166451612903223 -0.0180491803278688 -0.546824817466496 -0.874 -0.982 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M11 compound treatment -0.0045 -0.0042 -0.12 0.677 0.00362 0.12 -0.0106451612903223 -0.0120491803278689 -0.365046540270549 -0.211 -0.5258 3553135 ACon1_000245 C[C@H]1CC[C@H](OC(=O)C)[C@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C)[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M12 compound treatment 0.0025 0.0028 0.08 0.673 -3.79E-4 -0.01 -0.0076451612903223 -0.00904918032786885 -0.274157401672576 -0.1201 -0.4209 3554653 ACon1_000246 COC(=O)C(=C)CCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M13 mock treatment -0.0175 -0.0172 -0.48 0.663 -0.0104 -0.34 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 -0.5256 -0.884 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M14 mock treatment -0.0155 -0.0152 -0.43 0.673 -3.79E-4 -0.01 0.00735483870967771 0.00595081967213116 0.180288291317292 -0.1485 -0.3214 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M15 compound treatment 0.0125 0.0128 0.36 0.677 0.00362 0.12 -0.0066451612903223 -0.00804918032786885 -0.243861022139918 0.1342 0.2986 3551999 ACon1_000247 C/C=C(/C)\C(=O)O[C@@H]1C[C@@H](OC(=O)/C(=C\C)/C)[C@](C)(CO)C2C3[C@H](C)CC(=O)C2[C@@]31C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M16 compound treatment -0.0045 -0.00421 -0.12 0.666 -0.00738 -0.24 -0.0226451612903223 -0.0240491803278689 -0.728603094662443 -0.6271 -0.8082 3552704 ACon1_000248 C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M17 compound treatment -0.0095 -0.0092 -0.26 0.669 -0.00438 -0.14 0.00535483870967771 0.00395081967213116 0.119695532251976 -0.1619 -0.5092 1502018 ACon1_000249 COc1ccc2oc(cc(=O)c2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M18 compound treatment -0.0025 -0.0022 -0.06 0.662 -0.0114 -0.37 3.548387096777E-4 -0.00104918032786885 -0.031786365411313 -0.2672 -0.7111 3557806 ACon1_000250 COC(=O)C1=CO[C@@H](OC2OC(O)C(O)C(O)C2CO)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)OC(=O)/C=C/c5ccc(OC6OC(CO)C(O)C(O)C6O)cc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M19 compound treatment 0.0085 0.0088 0.25 0.683 0.00962 0.31 -0.0326451612903223 -0.0340491803278688 -1.03156688998902 -0.2729 -0.2468 1012 ACon1_000251 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M20 compound treatment -0.0035 -0.00321 -0.09 0.656 -0.0174 -0.56 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.4835 -0.806 3559846 ACon1_000252 OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M21 compound treatment -0.0125 -0.0122 -0.34 0.67 -0.00338 -0.11 0.0033548387096777 0.00195081967213115 0.0591027731866604 -0.2269 -0.6227 3559747 ACon1_000253 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M22 compound treatment -5.0E-4 -1.73E-4 0.0 0.668 -0.00538 -0.17 0.0023548387096777 9.5081967213115E-4 0.0288063936540026 -0.087 -0.4913 3554833 ACon1_000254 COc1cc(C)c(C(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OC(=O)C)n3ccc(=O)[nH]c3=O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M23 compound treatment -5.0E-4 -2.03E-4 -0.01 0.674 6.21E-4 0.02 -0.0096451612903223 -0.0110491803278689 -0.334750160737891 -0.1849 -0.5514 3559655 ACon1_000255 COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 M24 compound treatment -0.0295 -0.0292 -0.82 0.651 -0.0224 -0.73 -0.0146451612903223 -0.0160491803278689 -0.48623205840118 -1.1729 -0.9792 3559343 ACon1_000256 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N01 compound treatment -0.0195 -0.0192 -0.54 0.656 -0.0174 -0.56 0.0113548387096777 0.00995081967213115 0.301473809447923 -0.4626 -0.5532 3558015 ACon1_000257 COc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N02 compound treatment -0.0175 -0.0172 -0.48 0.655 -0.0184 -0.6 -0.0276451612903223 -0.0290491803278688 -0.880084992325732 -1.1311 -0.9688 3559555 ACon1_000258 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(=C/C(=O)O)/C)C(=C)CC[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N03 compound treatment 0.0085 0.00884 0.25 0.649 -0.0244 -0.79 -0.0156451612903223 -0.0170491803278688 -0.516528437933838 -0.612 -0.6265 3557706 ACon1_000259 O=C(CCCCCC/C=C/c1ccc2OCOc2c1)N3CCCCC3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N04 compound treatment -0.0365 -0.0362 -1.02 0.649 -0.0244 -0.79 -0.0396451612903223 -0.0410491803278688 -1.24364154671763 -1.761 -0.9839 1538 ACon1_000260 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N05 compound treatment -0.0045 -0.00417 -0.12 0.662 -0.0114 -0.37 -0.0056451612903223 -0.00704918032786885 -0.21356464260726 -0.4041 -0.9134 3557638 ACon1_000261 COC(=O)c1ccccc1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N06 compound treatment -0.0045 -0.00421 -0.12 0.631 -0.0424 -1.38 -0.0126451612903223 -0.0140491803278689 -0.425639299335865 -1.108 -0.767 3614343 ACon1_000262 CC(C)C(NC(=O)C)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OCC3(O)[C@@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N07 compound treatment -0.0205 -0.0202 -0.57 0.624 -0.0494 -1.6 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -1.3576 -0.7942 3553729 ACon1_000263 CC(CO)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N08 compound treatment -0.0305 -0.0302 -0.85 0.625 -0.0484 -1.57 -0.0296451612903223 -0.0310491803278688 -0.940677751391048 -1.9387 -0.9612 3614345 ACon1_000264 CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC3C(=CCC4C(C)(CCCC34C)C(=O)O)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N09 mock treatment -0.0295 -0.0292 -0.82 0.62 -0.0534 -1.73 -0.0236451612903223 -0.0250491803278688 -0.758899474195101 -1.9112 -0.9273 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N10 mock treatment -0.0065 -0.0062 -0.17 0.669 -0.00438 -0.14 0.0023548387096777 9.5081967213115E-4 0.0288063936540026 -0.1658 -0.7324 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N11 compound treatment -0.0155 -0.0152 -0.43 0.621 -0.0524 -1.7 -0.0206451612903223 -0.0220491803278688 -0.668010335597127 -1.6134 -0.8602 3559351 ACon1_000265 CCCCC(CCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N12 compound treatment 0.0025 0.00279 0.08 0.64 -0.0334 -1.08 -0.0296451612903223 -0.0310491803278688 -0.940677751391048 -1.1233 -0.7818 3559523 ACon1_000266 CC(=CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)C3CCC2=C)C1=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N13 mock treatment 0.0135 0.0138 0.39 0.644 -0.0294 -0.95 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 -0.3805 -0.3683 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N14 mock treatment -0.0465 -0.0462 -1.29 0.675 0.00162 0.05 -0.0276451612903223 -0.0290491803278688 -0.880084992325732 -1.225 -0.7822 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N15 compound treatment -0.0475 -0.0472 -1.32 0.623 -0.0504 -1.64 -0.0126451612903223 -0.0140491803278689 -0.425639299335865 -1.954 -0.9104 2181 ACon1_000267 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N16 compound treatment -0.0205 -0.0202 -0.57 0.67 -0.00338 -0.11 -0.0096451612903223 -0.0110491803278689 -0.334750160737891 -0.583 -0.8752 3557681 ACon1_000268 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N17 compound treatment -0.0055 -0.00521 -0.15 0.639 -0.0344 -1.12 -0.0236451612903223 -0.0250491803278688 -0.758899474195101 -1.1667 -0.8596 3557477 ACon1_000269 Oc1ccc2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N18 compound treatment -0.0175 -0.0172 -0.48 0.674 6.21E-4 0.02 -0.0026451612903223 -0.00404918032786885 -0.122675504009286 -0.337 -0.6781 270 ACon1_000270 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N19 compound treatment -0.0075 -0.00717 -0.2 0.64 -0.0334 -1.08 -0.0076451612903223 -0.00904918032786885 -0.274157401672576 -0.8999 -0.7925 3558281 ACon1_000271 CC(C)C(O)CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N20 compound treatment -0.0335 -0.0332 -0.93 0.664 -0.00938 -0.3 0.0033548387096777 0.00195081967213115 0.0591027731866604 -0.6784 -0.6922 3553516 ACon1_000272 CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)[C@@H](C)C[C@H]3OC(=O)C(=C)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N21 compound treatment 0.0175 0.0178 0.5 0.671 -0.00238 -0.08 -0.0106451612903223 -0.0120491803278689 -0.365046540270549 0.0326 0.0523 3559609 ACon1_000273 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O[C@H]6CC[C@@]7(C)C(CC[C@]8(C)C7CC[C@@]9%10OC[C@@]%11(CCC(C)(C)CC%11%10)[C@H](O)C[C@]98C)C6(C)C)O[C@@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N22 compound treatment -0.0035 -0.0032 -0.09 0.665 -0.00838 -0.27 -0.0096451612903223 -0.0110491803278689 -0.334750160737891 -0.4021 -0.9128 3552601 ACon1_000274 C[C@@H](CC[C@H]1C(=CC(=O)C2C(C)(C)CCC[C@]12C)C)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N23 compound treatment -0.0105 -0.0102 -0.29 0.636 -0.0374 -1.21 -0.0186451612903223 -0.0200491803278689 -0.607417576531812 -1.2158 -0.877 1307633 ACon1_000275 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 N24 compound treatment 0.0035 0.0038 0.11 0.678 0.00462 0.15 -0.0136451612903223 -0.0150491803278689 -0.455935678868523 -0.1152 -0.2343 3557790 ACon1_000276 CC1CCC(=O)C2(O)CC(=O)C3C(C3(C)C)C12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O01 compound treatment -0.0105 -0.0102 -0.29 0.693 0.0196 0.64 0.00735483870967771 0.00595081967213116 0.180288291317292 0.3071 0.4261 3559471 ACon1_000277 C[C@@]12CCCC(=C)[C@@H]2C[C@@](O)(CC1)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O02 compound treatment -0.0175 -0.0172 -0.48 0.679 0.00562 0.18 -6.45161290322299E-4 -0.00204918032786885 -0.0620827449439708 -0.2085 -0.4021 3185117 ACon1_000278 CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=CC(=O)OC5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O03 compound treatment -0.0145 -0.0142 -0.4 0.676 0.00262 0.09 -0.0026451612903223 -0.00404918032786885 -0.122675504009286 -0.2511 -0.5916 2069231 ACon1_000279 CC(=CCc1cc(ccc1O)C(=O)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O04 compound treatment -0.0075 -0.00717 -0.2 0.679 0.00562 0.18 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -0.0117 -0.0429 2091975 ACon1_000280 C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O05 compound treatment -0.0415 -0.0412 -1.15 0.681 0.00762 0.25 0.0033548387096777 0.00195081967213115 0.0591027731866604 -0.4896 -0.4142 3559534 ACon1_000281 CC1C[C@@H]2OC(=O)C(=C)C2C[C@]34O[C@]4(C)CCC13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O06 compound treatment -0.0115 -0.0112 -0.31 0.677 0.00362 0.12 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -0.1145 -0.3412 3614346 ACon1_000282 O[C@@H]1C[C@](C[C@@H](O)[C@H]1O)(OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O07 compound treatment -0.0175 -0.0172 -0.48 0.665 -0.00838 -0.27 0.0133548387096777 0.0119508196721311 0.362066568513239 -0.226 -0.3419 3558551 ACon1_000283 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)OC8OC(CO)C(O)C(O)C8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O08 compound treatment -0.0315 -0.0312 -0.87 0.645 -0.0284 -0.92 -0.0316451612903223 -0.0330491803278688 -1.00127051045636 -1.6145 -0.9984 1000088 ACon1_000284 OC1C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O09 compound treatment -0.0025 -0.00217 -0.06 0.678 0.00462 0.15 0.0083548387096777 0.00695081967213115 0.21058467084995 0.173 0.6513 3559591 ACon1_000285 C[C@@]1(O)C[C@@]2(CC1CC[C@H]23)CCC4C(C)(C)[C@H](CC[C@@]34C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O10 compound treatment -0.0185 -0.0182 -0.51 0.661 -0.0124 -0.4 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.6319 -0.9372 3554190 ACon1_000286 CCC/C=C/C=C/C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O11 mock treatment -0.0065 -0.00617 -0.17 0.676 0.00262 0.09 -0.0066451612903223 -0.00804918032786885 -0.243861022139918 -0.1916 -0.6163 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O12 mock treatment -0.0025 -0.00217 -0.06 0.675 0.00162 0.05 -0.0126451612903223 -0.0140491803278689 -0.425639299335865 -0.2506 -0.5784 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O13 compound treatment -0.0095 -0.00921 -0.26 0.668 -0.00538 -0.17 0.0143548387096777 0.0129508196721312 0.392362948045896 -0.0234 -0.0467 3069775 ACon1_000287 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O14 compound treatment -0.0065 -0.00617 -0.17 0.674 6.21E-4 0.02 0.0053548387096777 0.00395081967213115 0.119695532251976 -0.0192 -0.0908 3557505 ACon1_000288 CC(C)C(O)C(=O)O[C@H]/1C\C=C(/C)\C[C@@H](OC(=O)/C(=C/CO)/CO)[C@@H]2[C@H](OC(=O)C2=C)/C=C1/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O15 compound treatment 0.0155 0.0158 0.44 0.692 0.0186 0.6 0.0043548387096777 0.00295081967213115 0.0893991527193182 0.6569 0.8698 3559563 ACon1_000289 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O16 compound treatment -0.0135 -0.0132 -0.37 0.669 -0.00438 -0.14 0.0053548387096777 0.00395081967213115 0.119695532251976 -0.2262 -0.5471 3559243 ACon1_000290 COc1cc(cc(OC)c1O)C2C(CO)C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Cc4cc(OC)c(O)c(OC)c24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O17 compound treatment -0.0165 -0.0162 -0.45 0.671 -0.00238 -0.08 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -0.3079 -0.6677 3559643 ACon1_000291 OC(CCc1ccccc1)CC(=O)/C=C/c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O18 compound treatment -0.0075 -0.00717 -0.2 0.673 -3.79E-4 -0.01 -0.0156451612903223 -0.0170491803278688 -0.516528437933838 -0.4214 -0.7601 3559322 ACon1_000292 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@]54C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O19 compound treatment -0.0165 -0.0162 -0.45 0.662 -0.0114 -0.37 -0.0056451612903223 -0.00704918032786885 -0.21356464260726 -0.5983 -0.961 1071301 ACon1_000293 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O20 compound treatment -0.0215 -0.0212 -0.59 0.658 -0.0154 -0.5 -0.0096451612903223 -0.0110491803278689 -0.334750160737891 -0.8242 -0.9757 3557261 ACon1_000294 OC(=O)CCC(=O)Cc1ccccc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O21 compound treatment -0.0275 -0.0272 -0.76 0.634 -0.0394 -1.28 -0.0286451612903223 -0.0300491803278688 -0.91038137185839 -1.7033 -0.9765 1010377 ACon1_000295 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O22 compound treatment -0.0015 -0.00117 -0.03 0.676 0.00262 0.09 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 0.0293 0.3207 3557778 ACon1_000296 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CO)CCC[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O23 compound treatment 0.0085 0.00884 0.25 0.684 0.0106 0.34 -0.0096451612903223 -0.0110491803278689 -0.334750160737891 0.1488 0.2752 2080073 ACon1_000297 C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 O24 compound treatment -0.0125 -0.0122 -0.34 0.667 -0.00638 -0.21 -0.0146451612903223 -0.0160491803278689 -0.48623205840118 -0.5973 -0.9495 3559339 ACon1_000298 COc1c(O)c2c(=O)c(coc2cc1O[C@@H]3O[C@H](CO[C@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c5ccc(O)cc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P01 compound treatment -0.0035 -0.00317 -0.09 0.663 -0.0104 -0.34 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.3517 -0.8933 3554303 ACon1_000299 CCCCCCCCCC[C@H](C(=O)O)[C@@]1(CCC(=O)O1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P02 compound treatment 0.0065 0.00684 0.19 0.673 -3.79E-4 -0.01 0.0043548387096777 0.00295081967213115 0.0893991527193182 0.1552 0.7324 3553173 ACon1_000300 CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)OC(=O)c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P03 compound treatment 0.0035 0.00383 0.11 0.667 -0.00638 -0.21 0.0253548387096777 0.0239508196721312 0.725623122905132 0.3613 0.4741 3557492 ACon1_000301 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(O)CC45C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P04 compound treatment 0.0165 0.0168 0.47 0.671 -0.00238 -0.08 -0.0026451612903223 -0.00404918032786885 -0.122675504009286 0.1571 0.3182 3554488 ACon1_000302 CN1CC(C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P05 compound treatment 0.0135 0.0138 0.39 0.674 6.21E-4 0.02 -0.0136451612903223 -0.0150491803278689 -0.455935678868523 -0.0276 -0.0461 3558904 ACon1_000303 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P06 compound treatment 0.0115 0.0118 0.33 0.679 0.00562 0.18 -0.0066451612903223 -0.00804918032786885 -0.243861022139918 0.1561 0.3465 3614348 ACon1_000304 COc1cc(O)c2C(=O)OC(O)(CO)C(C)c2c1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P07 compound treatment -0.0055 -0.00517 -0.15 0.664 -0.00938 -0.3 -0.0026451612903223 -0.00404918032786885 -0.122675504009286 -0.3303 -0.9206 3557880 ACon1_000305 COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P08 compound treatment -0.0045 -0.00421 -0.12 0.668 -0.00538 -0.17 0.0043548387096777 0.00295081967213115 0.0893991527193182 -0.1174 -0.5127 3614349 ACon1_000306 CC(=CCC/C(=C/CC/C(=C/Cc1c(O)cc2C(=O)N(Cc2c1O)C(CCC(=O)O)C(=O)O)/C)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P09 compound treatment 0.0085 0.00884 0.25 0.673 -3.79E-4 -0.01 -0.0096451612903223 -0.0110491803278689 -0.334750160737891 -0.0573 -0.1376 3559304 ACon1_000307 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P10 compound treatment -0.0065 -0.00621 -0.17 0.669 -0.00438 -0.14 -0.0126451612903223 -0.0140491803278689 -0.425639299335865 -0.4284 -0.8899 3559823 ACon1_000308 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P11 mock treatment -0.0115 -0.0112 -0.31 0.66 -0.0134 -0.43 -0.0236451612903223 -0.0250491803278688 -0.758899474195101 -0.8697 -0.9364 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P12 mock treatment -0.0065 -0.00617 -0.17 0.663 -0.0104 -0.34 -0.0046451612903223 -0.00604918032786885 -0.183268263074602 -0.4002 -0.9513 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P13 compound treatment -0.0045 -0.00417 -0.12 0.665 -0.00838 -0.27 -0.0226451612903223 -0.0240491803278689 -0.728603094662443 -0.6452 -0.8204 3559341 ACon1_000309 O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(/C=C/c4cc(O)cc(O)c4)cc3)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P14 compound treatment 0.0175 0.0178 0.5 0.685 0.0116 0.38 -0.0036451612903223 -0.00504918032786885 -0.152971883541944 0.4181 0.6485 3557710 ACon1_000310 CO[C@@H]1[C@H](O)[C@@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P15 compound treatment 0.0015 0.00183 0.05 0.674 6.21E-4 0.02 0.0083548387096777 0.00695081967213115 0.21058467084995 0.1628 0.7479 3559388 ACon1_000311 COc1cc2occ(c3ccc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c(O)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P16 compound treatment 5.0E-4 8.37E-4 0.02 0.669 -0.00438 -0.14 -0.0116451612903223 -0.0130491803278689 -0.395342919803207 -0.2968 -0.7053 3557667 ACon1_000312 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@@H](C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)O[C@@]81CCC(=C)CO8 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P17 compound treatment 0.0035 0.00384 0.11 0.672 -0.00138 -0.04 -0.0206451612903223 -0.0220491803278688 -0.668010335597127 -0.3494 -0.5153 3614351 ACon1_000313 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P18 compound treatment -0.0145 -0.0142 -0.4 0.657 -0.0164 -0.53 0.0043548387096777 0.00295081967213115 0.0893991527193182 -0.4854 -0.724 3552822 ACon1_000314 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]3(C[C@@H]4CC=C32)CC4=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P19 compound treatment -0.0025 -0.00217 -0.06 0.669 -0.00438 -0.14 -0.0016451612903223 -0.00304918032786885 -0.0923791244766287 -0.1706 -0.9469 3557267 ACon1_000315 NC(=O)Cc1ccc(O)c(Cl)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P20 compound treatment -0.0025 -0.00221 -0.06 0.669 -0.00438 -0.14 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -0.1187 -0.7656 3557599 ACon1_000316 C[C@H]1CCC(CC=C1CCC(=O)C)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P21 compound treatment 0.0025 0.0028 0.08 0.673 -3.79E-4 -0.01 0.0103548387096777 0.00895081967213115 0.271177429915265 0.1947 0.6892 3614352 ACon1_000317 COc1ccc(cc1)C(=O)O[C@H]2CC(=CCC3(C)CC[C@@](O)(C(C)C)[C@H]23)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P22 compound treatment -0.0075 -0.00717 -0.2 0.667 -0.00638 -0.21 -6.45161290322299E-4 -0.00204918032786885 -0.0620827449439708 -0.2715 -0.9196 3557663 ACon1_000318 C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P23 compound treatment -0.0185 -0.0182 -0.51 0.657 -0.0164 -0.53 0.0013548387096777 -4.91803278688499E-5 -0.00148998587865523 -0.6019 -0.8175 1113986 ACon1_000319 O=c1cccc2C3CNCC(C3)Cn21 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2290 P24 compound treatment 0.0255 0.0258 0.72 0.7 0.0266 0.86 -0.0026451612903223 -0.00404918032786885 -0.122675504009286 0.846 0.7461 3557792 ACon1_000320 C/C=C(\C)/C(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]3[C@H]4OC(=O)C(=C)[C@@H]4C[C@@H](O)[C@@]13C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A01 compound treatment 0.017 0.0154 0.43 0.698 0.0282 0.91 -0.0350551652354928 -0.033016129032258 -1.00026917586049 0.1996 0.1403 3557665 ACon1_000321 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A02 compound treatment 0.028 0.0264 0.74 0.715 0.0452 1.47 0.0319448347645072 0.033983870967742 1.02958825282758 1.8681 0.9637 3558065 ACon1_000322 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A03 compound treatment 0.024 0.0224 0.63 0.673 0.00319 0.1 -0.0210551652354928 -0.019016129032258 -0.576119862403282 0.0894 0.1042 3557987 ACon1_000323 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A04 compound treatment 0.01 0.00838 0.23 0.658 -0.0118 -0.38 0.0149448347645072 0.016983870967742 0.5145498007724 0.2114 0.3093 3558147 ACon1_000324 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A05 compound treatment 0.019 0.0174 0.49 0.693 0.0232 0.75 0.0229448347645072 0.024983870967742 0.756920837033662 1.1528 0.9825 3558051 ACon1_000325 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A06 compound treatment 0.019 0.0174 0.49 0.682 0.0122 0.4 0.0229448347645072 0.024983870967742 0.756920837033662 0.9467 0.9628 3558231 ACon1_000326 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3cc(O)c(OC)c(OC)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A07 compound treatment 0.041 0.0394 1.11 0.725 0.0552 1.79 0.0439448347645072 0.045983870967742 1.39314480721948 2.4765 0.9812 3558131 ACon1_000327 OCC1OC(Oc2cc(O)cc(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A08 compound treatment 0.028 0.0264 0.74 0.68 0.0102 0.33 0.0279448347645072 0.029983870967742 0.908402734696951 1.1423 0.9385 3553198 ACon1_000328 CC(=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A09 compound treatment 0.014 0.0124 0.35 0.699 0.0292 0.95 0.00694483476450715 0.00898387096774194 0.272178764511136 0.9044 0.8655 3558232 ACon1_000329 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@H](CC[C@@H]31)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A10 compound treatment 0.0109 0.00934 0.26 0.691 0.0212 0.69 0.0109448347645071 0.0129838709677419 0.393364282641765 0.7753 0.9292 3553751 ACon1_000330 CC(O)C(O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)C13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A11 compound treatment 0.029 0.0274 0.77 0.689 0.0192 0.62 0.0269448347645072 0.028983870967742 0.878106355164294 1.3103 0.9906 3614354 ACon1_000331 CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A12 compound treatment 0.025 0.0234 0.66 0.701 0.0312 1.01 0.0189448347645072 0.020983870967742 0.635735318903031 1.3299 0.9755 3614356 ACon1_000332 COc1c(O)cc2C(O)C(C)OC(=O)c3c(O)c(OC)c(O)c(O)c3C(O)C(C)OC(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A13 mock treatment 0.0139 0.0123 0.35 0.682 0.0122 0.4 0.0149448347645072 0.016983870967742 0.5145498007724 0.7252 0.986 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A14 mock treatment 0.011 0.00938 0.26 0.709 0.0392 1.27 -0.0230551652354929 -0.0210161290322581 -0.6367126214686 0.5185 0.3585 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A15 compound treatment -0.6476 -0.649 -18.2 0.671 0.00119 0.04 0.0139448347645072 0.015983870967742 0.484253421239742 -10.2066 -0.5606 3553760 ACon1_000333 CC(O)CCCCC(C(=O)O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A16 compound treatment 0.018 0.0164 0.46 0.673 0.00319 0.1 -0.00305516523549285 -0.00101612903225806 -0.0307850308154425 0.3071 0.651 3559671 ACon1_000334 CC(CCOC(=O)C)CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A17 compound treatment 0.0129 0.0113 0.32 0.674 0.00419 0.14 0.0129448347645072 0.014983870967742 0.453957041707084 0.5241 0.9185 3559515 ACon1_000335 COC(=O)/C=C(\C)/CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A18 compound treatment -0.012 -0.0136 -0.38 0.671 0.00119 0.04 -5.51652354928E-5 0.00198387096774199 0.0601041077825325 -0.1635 -0.4209 2082296 ACon1_000336 O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A19 compound treatment 0.032 0.0304 0.85 0.676 0.00619 0.2 0.00794483476450715 0.00998387096774194 0.302475144043794 0.7823 0.8449 3553961 ACon1_000337 CC1CC(=O)C2=C(C1)C(Cl)C(O)C3(O)C(O)c4c(O)cccc4C(=O)C23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A20 compound treatment -1.0E-4 -0.00166 -0.05 0.661 -0.00881 -0.29 0.0139448347645072 0.015983870967742 0.484253421239742 0.0876 0.1552 3557551 ACon1_000338 COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c3C(=O)CC(Oc13)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A21 compound treatment -0.0021 -0.00366 -0.1 0.672 0.00219 0.07 0.00394483476450715 0.00598387096774194 0.181289625913162 0.0864 0.3925 3557759 ACon1_000339 C[C@@H]1CC[C@]2(C)CC[C@]3(CO)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A22 compound treatment 0.0049 0.00334 0.09 0.666 -0.00381 -0.12 0.0119448347645072 0.013983870967742 0.423660662174426 0.2272 0.5036 3557801 ACon1_000340 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC/C(=C/CC/C(=C/CC/C(=C/CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)/C)/C)/C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A23 compound treatment 0.017 0.0154 0.43 0.675 0.00519 0.17 0.0119448347645072 0.013983870967742 0.423660662174426 0.5907 0.9414 3557890 ACon1_000341 COc1cc(cc(OC)c1OC)C(=O)OC2OC(CO)C(O)C(O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 A24 compound treatment 0.0129 0.0113 0.32 0.658 -0.0118 -0.38 -0.0110551652354929 -0.00901612903225811 -0.273156067076707 -0.1955 -0.3442 3558223 ACon1_000342 COc1cc(O)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B01 compound treatment -0.0031 -0.00466 -0.13 0.618 -0.0518 -1.68 0.00194483476450714 0.00398387096774193 0.120696866847846 -0.9766 -0.5776 3559333 ACon1_000343 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC3C(C)C(CC3C(CO)CO)OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B02 compound treatment 0.0119 0.0103 0.29 0.671 0.00119 0.04 0.0149448347645072 0.016983870967742 0.5145498007724 0.4867 0.8223 3559681 ACon1_000344 CC(=O)OC[C@]12CCC[C@]3(C)[C@@H]2[C@@H](OC1=O)[C@H](OC(=O)C)[C@]4(C[C@H]5CC[C@H]43)CC5=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B03 compound treatment 0.023 0.0214 0.6 0.646 -0.0238 -0.77 0.0189448347645072 0.020983870967742 0.635735318903031 0.2676 0.2293 3557417 ACon1_000345 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B04 compound treatment 0.022 0.0204 0.57 0.664 -0.00581 -0.19 0.0169448347645072 0.018983870967742 0.575142559837715 0.553 0.6644 3559419 ACon1_000346 COC(=O)/C=C/c1ccc(OC)c(/C=C/C(C)(C)O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B05 compound treatment 0.021 0.0194 0.54 0.677 0.00719 0.23 0.0189448347645072 0.020983870967742 0.635735318903031 0.8154 0.9392 3559255 ACon1_000347 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B06 compound treatment 0.011 0.00942 0.26 0.672 0.00219 0.07 0.0019448347645071 0.00398387096774189 0.120696866847845 0.2631 0.8803 3555950 ACon1_000348 Oc1cccc(C(=O)NCC[C@@H](CNC(=O)c2cccc(O)c2O)NC(=O)c3cccc(O)c3O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B07 compound treatment -0.0061 -0.00766 -0.21 0.659 -0.0108 -0.35 -5.51652354928598E-5 0.00198387096774193 0.0601041077825307 -0.2919 -0.7021 3555286 ACon1_000349 COc1ccc2[C@H](C)[C@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B08 compound treatment 0.027 0.0254 0.71 0.681 0.0112 0.36 0.0239448347645072 0.025983870967742 0.78721721656632 1.0756 0.9584 715 ACon1_000350 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B09 compound treatment 0.0029 0.00134 0.04 0.676 0.00619 0.2 -5.5165235492857E-5 0.00198387096774193 0.0601041077825308 0.1723 0.8091 3559310 ACon1_000351 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(oc2c1)c5ccc(O)c(O)c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B10 compound treatment 0.016 0.0144 0.4 0.675 0.00519 0.17 0.0129448347645072 0.014983870967742 0.453957041707084 0.592 0.9397 3555614 ACon1_000352 O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3cccc4cc5COC(=O)c5c(O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B11 compound treatment -0.039 -0.0406 -1.14 0.671 0.00119 0.04 0.0119448347645072 0.013983870967742 0.423660662174426 -0.3907 -0.3214 1352 ACon1_000353 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B12 compound treatment 0.005 0.00342 0.1 0.661 -0.00881 -0.29 9.448347645071E-4 0.00298387096774189 0.0904004873151873 -0.0576 -0.1829 3552679 ACon1_000354 C[C@@H]1CC(=O)[C@]2(COC(=O)C)[C@H](CC[C@H](OC(=O)C)[C@@]32CO3)[C@]41C[C@H](OC4=O)c5ccoc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B13 mock treatment 0.0109 0.00934 0.26 0.673 0.00319 0.1 -0.00105516523549284 9.8387096774195E-4 0.0298077282498735 0.2281 0.8057 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B14 mock treatment 0.02 0.0184 0.52 0.663 -0.00681 -0.22 0.0149448347645072 0.016983870967742 0.5145498007724 0.4669 0.6135 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B15 compound treatment 0.014 0.0124 0.35 0.661 -0.00881 -0.29 0.00894483476450715 0.0109838709677419 0.332771523576451 0.2274 0.4064 3559749 ACon1_000355 CC(C)CC(=O)O[C@@H]1C/C(=C\CC\C(=C\[C@H]2OC(=O)C(=C)C21)\C)/C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B16 compound treatment 0.017 0.0154 0.43 0.664 -0.00581 -0.19 0.0059448347645072 0.00798387096774199 0.241882384978479 0.2797 0.5285 3554812 ACon1_000356 COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B17 compound treatment -0.011 -0.0126 -0.35 0.651 -0.0188 -0.61 -0.0110551652354929 -0.00901612903225811 -0.273156067076707 -0.7139 -0.944 3559769 ACon1_000357 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B18 compound treatment 0.018 0.0164 0.46 0.666 -0.00381 -0.12 0.0159448347645072 0.017983870967742 0.544846180305058 0.5082 0.7028 3557998 ACon1_000358 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)/C=C/c6ccccc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B19 compound treatment 0.014 0.0124 0.35 0.675 0.00519 0.17 0.0109448347645072 0.012983870967742 0.393364282641768 0.5247 0.9524 3559817 ACon1_000359 COc1c(CC=C(C)C)cc(cc1CC=C(C)C)C2CC(=O)c3c(O)cc(O)cc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B20 compound treatment 0.016 0.0144 0.4 0.674 0.00419 0.14 0.0109448347645072 0.012983870967742 0.393364282641768 0.5383 0.9291 3554713 ACon1_000360 COC(=O)c1cc(OC)cc(OC)c1C(=O)c2coc(/C=C/C)c(OC)c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B21 compound treatment 0.014 0.0124 0.35 0.68 0.0102 0.33 -0.00105516523549285 9.8387096774194E-4 0.0298077282498731 0.4085 0.8505 3553590 ACon1_000361 CC(C)C1CCC2(C)CCC(O)C(C)(O)C2C1OC(=O)/C=C/c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B22 compound treatment 0.014 0.0124 0.35 0.667 -0.00281 -0.09 0.0109448347645071 0.0129838709677419 0.393364282641765 0.3748 0.7039 3558127 ACon1_000362 OCC1OC(OC2OC=CC3(O)C(OC(=O)c4ccc(O)cc4)C=C(CO)C23)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B23 compound treatment 0.019 0.0174 0.49 0.665 -0.00481 -0.16 0.0139448347645072 0.015983870967742 0.484253421239742 0.4707 0.6682 3553394 ACon1_000363 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 B24 compound treatment 0.023 0.0214 0.6 0.668 -0.00181 -0.06 0.0179448347645072 0.019983870967742 0.605438939370373 0.6623 0.7748 3553902 ACon1_000364 CC1=C(C)C(=O)O[C@@H](C1)[C@](C)(O)C2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C01 compound treatment 0.007 0.00542 0.15 0.671 0.00119 0.04 -5.51652354929006E-5 0.00198387096774189 0.0601041077825294 0.1447 0.8618 3557813 ACon1_000365 OC1COC(Oc2cc(O)c3C[C@H](O)[C@H](Oc3c2)c4ccc(O)c(O)c4)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C02 compound treatment 0.025 0.0234 0.66 0.673 0.00319 0.1 0.0209448347645072 0.022983870967742 0.696328077968347 0.8408 0.8735 3558044 ACon1_000366 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C03 compound treatment 0.0089 0.00734 0.21 0.668 -0.00181 -0.06 0.00594483476450715 0.00798387096774194 0.241882384978478 0.2245 0.6951 3557757 ACon1_000367 COc1cc(O)cc2occ(c3ccc(O)cc3)c(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C04 compound treatment 0.027 0.0254 0.71 0.669 -8.12E-4 -0.03 0.0209448347645072 0.022983870967742 0.696328077968347 0.7983 0.8009 3552816 ACon1_000368 C[C@]1(C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]1C(=C)CO)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C05 compound treatment 0.023 0.0214 0.6 0.67 1.88E-4 0.01 0.0159448347645072 0.017983870967742 0.544846180305058 0.6641 0.8199 3558075 ACon1_000369 OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C06 compound treatment 0.017 0.0154 0.43 0.684 0.0142 0.46 0.0109448347645071 0.0129838709677419 0.393364282641765 0.7419 0.998 3554832 ACon1_000370 COc1cc(c(OC)cc1O)c2coc3cc(O)cc(O)c3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C07 compound treatment 0.016 0.0144 0.4 0.682 0.0122 0.4 0.0109448347645071 0.0129838709677419 0.393364282641765 0.6882 0.9999 3558135 ACon1_000371 COc1cc2OC(CC(=O)c2c(OC)c1C)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C08 compound treatment 0.026 0.0244 0.68 0.684 0.0142 0.46 0.0249448347645072 0.026983870967742 0.817513596098978 1.1331 0.9756 3559269 ACon1_000372 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C09 compound treatment 0.0149 0.0133 0.37 0.679 0.00919 0.3 0.0139448347645072 0.015983870967742 0.484253421239742 0.6676 0.9809 703 ACon1_000373 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C10 compound treatment 0.011 0.00938 0.26 0.684 0.0142 0.46 0.00894483476450715 0.0109838709677419 0.332771523576451 0.6098 0.9741 3553121 ACon1_000374 C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@]3(O)[C@@H](O)c4c(O)cccc4C(=O)[C@@H]23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C11 mock treatment 0.014 0.0124 0.35 0.671 0.00119 0.04 0.00494483476450715 0.00698387096774194 0.21158600544582 0.3448 0.8445 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C12 mock treatment 0.013 0.0114 0.32 0.678 0.00819 0.27 0.0129448347645072 0.014983870967742 0.453957041707084 0.5997 0.9748 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C13 compound treatment 0.0109 0.00934 0.26 0.68 0.0102 0.33 0.00894483476450715 0.0109838709677419 0.332771523576451 0.5342 0.9943 3558186 ACon1_000375 CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)Cc4ccc(O)cc4)C(=CC2=O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C14 compound treatment 0.007 0.00538 0.15 0.675 0.00519 0.17 9.44834764507139E-4 0.00298387096774193 0.0904004873151884 0.2365 0.9714 3557399 ACon1_000376 OC1C=CC(O)C23OC13C(O)C=CC42Oc5cccc6cccc(O4)c56 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C15 mock treatment 0.009 0.00738 0.21 0.675 0.00519 0.17 -5.51652354928607E-5 0.00198387096774193 0.0601041077825306 0.2513 0.9193 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C16 mock treatment 0.0189 0.0173 0.49 0.678 0.00819 0.27 0.00994483476450715 0.0119838709677419 0.363067903109109 0.6437 0.9718 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C17 compound treatment 0.016 0.0144 0.4 0.677 0.00719 0.23 0.00694483476450714 0.00898387096774193 0.272178764511135 0.5246 0.9724 3553202 ACon1_000377 CC(=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C(O)CC(OC(=O)C)/C(=C/COCC(O)C(O)C(O)C(O)CO)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C18 compound treatment 0.0129 0.0113 0.32 0.672 0.00219 0.07 0.0149448347645072 0.016983870967742 0.5145498007724 0.5216 0.8565 3557463 ACon1_000378 COc1cc(oc(=O)c1)C2C3(O)CC4OC(=O)C3(O)C(C(=O)c5ccccc5)C2(O)C4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C19 compound treatment -0.026 -0.0276 -0.77 0.654 -0.0158 -0.51 -0.0220551652354929 -0.0200161290322581 -0.606416241935943 -1.0935 -0.9857 3558937 ACon1_000379 O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H]1OC(=O)c5cc(O)c(O)c(O)c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C20 compound treatment 0.013 0.0114 0.32 0.678 0.00819 0.27 0.00794483476450715 0.00998387096774194 0.302475144043794 0.5122 0.9972 3552950 ACon1_000380 C[C@H]1[C@@H]2[C@H](OC(=O)C)C(=O)[C@@]3(C)[C@@H](CC[C@H]4/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C[C@@]43C)OC(=O)C)[C@@]2(C)C=CC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C21 compound treatment 0.006 0.00438 0.12 0.676 0.00619 0.2 0.00194483476450714 0.00398387096774193 0.120696866847846 0.2565 0.9697 3557766 ACon1_000381 CC1=C2C/C=C(\C)/C(C/C=C(\C)/CC2OC1=O)OC3OC(CO)C(O)C(O)C3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C22 compound treatment 0.018 0.0164 0.46 0.674 0.00419 0.14 0.0119448347645072 0.013983870967742 0.423660662174426 0.5882 0.9199 3559361 ACon1_000382 C[C@@H]([C@H]1CCC2C3CC=C4C[C@H](C[C@H](O)[C@]4(C)C3CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6CC(=C(CO)C(=O)O6)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C23 compound treatment 0.012 0.0104 0.29 0.668 -0.00181 -0.06 0.00494483476450715 0.00698387096774194 0.21158600544582 0.2562 0.7028 3553616 ACon1_000383 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3C[C@H](O)[C@](O)(COC(=O)C)[C@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 C24 compound treatment 0.017 0.0154 0.43 0.677 0.00719 0.23 0.0149448347645072 0.016983870967742 0.5145498007724 0.6807 0.9578 3558764 ACon1_000384 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D01 compound treatment 0.016 0.0144 0.4 0.659 -0.0108 -0.35 0.00794483476450715 0.00998387096774194 0.302475144043794 0.2048 0.3335 3559335 ACon1_000385 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC(CO)C3CC(OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC)C(C)C3COC(=O)CC6\C(=C\C)\C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D02 compound treatment 0.0069 0.00534 0.15 0.674 0.00419 0.14 0.00494483476450715 0.00698387096774194 0.21158600544582 0.287 0.9808 3552117 ACon1_000386 C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@@]42CO4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D03 compound treatment -0.003 -0.00462 -0.13 0.667 -0.00281 -0.09 0.00594483476450714 0.00798387096774193 0.241882384978478 0.0121 0.042 3554011 ACon1_000387 CC1CCC(=C(CC/C(=C\COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)/C)C1(C)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D04 compound treatment -0.002 -0.00358 -0.1 0.685 0.0152 0.49 -0.0080551652354929 -0.00601612903225811 -0.182266928478733 0.1214 0.2268 3559732 ACon1_000388 CC1=C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]3[C@H]1CC[C@@]3(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D05 compound treatment 0.014 0.0124 0.35 0.672 0.00219 0.07 0.00394483476450715 0.00598387096774194 0.181289625913162 0.346 0.8696 3558877 ACon1_000389 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO)\CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D06 compound treatment 0.012 0.0104 0.29 0.671 0.00119 0.04 0.00794483476450715 0.00998387096774194 0.302475144043794 0.3649 0.8657 1607 ACon1_000390 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D07 compound treatment 0.02 0.0184 0.52 0.684 0.0142 0.46 0.0189448347645072 0.020983870967742 0.635735318903031 0.9304 0.9908 3557737 ACon1_000391 CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D08 compound treatment 0.0139 0.0123 0.35 0.675 0.00519 0.17 0.0119448347645072 0.013983870967742 0.423660662174426 0.5415 0.9463 3614357 ACon1_000392 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D09 compound treatment 0.018 0.0164 0.46 0.667 -0.00281 -0.09 0.00994483476450715 0.0119838709677419 0.363067903109109 0.422 0.7123 3559940 ACon1_000393 COc1cc(ccc1O)C2C(CO)C(CO)Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D10 compound treatment 0.001 -5.82E-4 -0.02 0.663 -0.00681 -0.22 -0.0120551652354929 -0.0100161290322581 -0.303452446609364 -0.3123 -0.8309 3557859 ACon1_000394 CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D11 mock treatment 0.016 0.0144 0.4 0.684 0.0142 0.46 0.0139448347645072 0.015983870967742 0.484253421239742 0.7782 0.9971 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D12 mock treatment 0.0069 0.00534 0.15 0.684 0.0142 0.46 0.0129448347645072 0.014983870967742 0.453957041707084 0.6143 0.9256 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D13 compound treatment 0.026 0.0244 0.68 0.668 -0.00181 -0.06 0.0169448347645072 0.018983870967742 0.575142559837715 0.6934 0.7738 3557863 ACon1_000395 CCC(C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D14 compound treatment -0.1616 -0.163 -4.58 0.69 0.0202 0.66 0.00994483476450715 0.0119838709677419 0.363067903109109 -2.0542 -0.443 3558515 ACon1_000396 C[C@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D15 mock treatment -0.006 -0.00762 -0.21 0.672 0.00219 0.07 -0.0100551652354929 -0.00801612903225811 -0.242859687544049 -0.2226 -0.6721 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D16 mock treatment 0.016 0.0144 0.4 0.673 0.00319 0.1 0.0109448347645071 0.0129838709677419 0.393364282641765 0.5196 0.9073 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D17 compound treatment 0.0039 0.00234 0.07 0.684 0.0142 0.46 0.00394483476450715 0.00598387096774194 0.181289625913162 0.4084 0.8181 3559665 ACon1_000397 CCC(C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D18 compound treatment 0.0129 0.0113 0.32 0.681 0.0112 0.36 0.0119448347645072 0.013983870967742 0.423660662174426 0.6378 0.9931 3559379 ACon1_000398 O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D19 compound treatment 0.011 0.00938 0.26 0.678 0.00819 0.27 -0.00205516523549286 -1.61290322580701E-5 -4.88651282784971E-4 0.3049 0.8157 3559700 ACon1_000399 CO[C@@H]1C[C@@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c3ccc4OCOc4c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D20 compound treatment 0.023 0.0214 0.6 0.664 -0.00581 -0.19 0.0149448347645072 0.016983870967742 0.5145498007724 0.5342 0.6578 3552828 ACon1_000400 C[C@]12CC[C@H](C[C@H]2[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(=O)O)C(=O)C=C1)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D21 compound treatment 0.001 -5.82E-4 -0.02 0.68 0.0102 0.33 -0.0050551652354929 -0.00301612903225811 -0.0913777898807596 0.1287 0.3748 3559727 ACon1_000401 COC(=O)CC(C)CC[C@H]1C(=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D22 compound treatment 0.019 0.0174 0.49 0.676 0.00619 0.2 0.0219448347645072 0.023983870967742 0.726624457501005 0.8168 0.9099 3558274 ACon1_000402 C[C@@H]1C[C@@H](OC(=O)C)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC3=CC(=O)OC3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D23 compound treatment -0.0041 -0.00566 -0.16 0.681 0.0112 0.36 0.00894483476450715 0.0109838709677419 0.332771523576451 0.3101 0.5993 3553349 ACon1_000403 CC(=O)O[C@H]1CC(=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@]2(C)C1)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 D24 compound treatment 0.013 0.0114 0.32 0.678 0.00819 0.27 0.00294483476450715 0.00498387096774194 0.150993246380504 0.4248 0.9615 3554883 ACon1_000404 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E01 mock treatment -0.007 -0.00858 -0.24 0.69 0.0202 0.66 0.0279448347645072 0.029983870967742 0.908402734696951 0.7638 0.6668 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E02 mock treatment 0.0109 0.00934 0.26 0.682 0.0122 0.4 0.0179448347645072 0.019983870967742 0.605438939370373 0.7291 0.9479 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E03 compound treatment -0.1806 -0.182 -5.11 0.674 0.00419 0.14 0.0269448347645072 0.028983870967742 0.878106355164294 -2.3636 -0.4559 3557985 ACon1_000405 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OCC3OC(Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)c(O)c6)C(O)C(O)C3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E04 compound treatment 0.015 0.0134 0.38 0.665 -0.00481 -0.16 0.0259448347645072 0.027983870967742 0.847809975631636 0.6159 0.6551 3557740 ACon1_000406 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H]2OC(=O)C)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E05 compound treatment 0.0099 0.00834 0.23 0.674 0.00419 0.14 0.00894483476450715 0.0109838709677419 0.332771523576451 0.4056 0.9458 3558077 ACon1_000407 O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E06 compound treatment 0.017 0.0154 0.43 0.649 -0.0208 -0.68 0.0329448347645072 0.034983870967742 1.05988463236024 0.4715 0.3548 3558242 ACon1_000408 COc1cc2c(=O)c(coc2cc1O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E07 compound treatment 0.003 0.00142 0.04 0.652 -0.0178 -0.58 0.0219448347645072 0.023983870967742 0.726624457501005 0.1087 0.117 1524104 ACon1_000409 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E08 compound treatment 0.013 0.0114 0.32 0.674 0.00419 0.14 0.0299448347645072 0.031983870967742 0.968995493762267 0.8227 0.7992 2060441 ACon1_000410 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E09 mock treatment -0.012 -0.0136 -0.38 0.674 0.00419 0.14 0.0189448347645072 0.020983870967742 0.635735318903031 0.2257 0.2995 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E10 mock treatment 0.003 0.00142 0.04 0.677 0.00719 0.23 0.0309448347645072 0.032983870967742 0.999291873294925 0.7346 0.7153 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E11 compound treatment -0.044 -0.0456 -1.28 0.678 0.00819 0.27 -0.00605516523549286 -0.00401612903225807 -0.121674169413416 -0.6553 -0.4995 3614358 ACon1_000411 C[C@H]1CCC[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E12 compound treatment -0.012 -0.0136 -0.38 0.655 -0.0148 -0.48 -0.0120551652354928 -0.010016129032258 -0.303452446609361 -0.6726 -0.983 3553963 ACon1_000412 CC1CC(=O)C2=C(C1)C3OC3C4(O)C(O)c5c(O)cccc5C(=O)C24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E13 compound treatment -0.02 -0.0216 -0.61 0.675 0.00519 0.17 0.0159448347645072 0.017983870967742 0.544846180305058 0.0624 0.0751 2565 ACon1_000413 COC1=CC(=O)OC1(O)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E14 compound treatment -0.017 -0.0186 -0.52 0.663 -0.00681 -0.22 -0.0240551652354929 -0.0220161290322581 -0.667009001001258 -0.8142 -0.93 3554186 ACon1_000414 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E15 compound treatment -0.001 -0.00258 -0.07 0.671 0.00119 0.04 0.0119448347645072 0.013983870967742 0.423660662174426 0.2251 0.5216 3614360 ACon1_000415 COC1CC(=O)C2(C3C(CC(C)C)NC2=O)C(C=C(C)C3C)/C=C(\C)/CCC(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E16 compound treatment 0.0089 0.00734 0.21 0.658 -0.0118 -0.38 -0.0190551652354928 -0.017016129032258 -0.515527103337966 -0.4002 -0.5932 3559688 ACon1_000416 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E17 mock treatment -1.0E-4 -0.00166 -0.05 0.677 0.00719 0.23 -0.00205516523549286 -1.61290322580701E-5 -4.88651282784971E-4 0.1075 0.4519 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E18 mock treatment -0.013 -0.0146 -0.41 0.661 -0.00881 -0.29 0.0149448347645072 0.016983870967742 0.5145498007724 -0.1041 -0.1452 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E19 compound treatment -0.034 -0.0356 -1.0 0.685 0.0152 0.49 -0.0150551652354929 -0.0130161290322581 -0.394341585207338 -0.5197 -0.4399 3557588 ACon1_000417 CC(=CCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(CC=C(C)C)c1C(O)C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E20 compound treatment -0.008 -0.00958 -0.27 0.672 0.00219 0.07 0.0139448347645072 0.015983870967742 0.484253421239742 0.1655 0.2964 3557280 ACon1_000418 C[C@H]1CC/C=C(\C)/[C@@H](O)/C=C/[C@@](C)(O)\C=C\C(=O)O[C@@H]1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E21 compound treatment 0.0079 0.00634 0.18 0.657 -0.0128 -0.42 0.00294483476450716 0.00498387096774195 0.150993246380505 -0.0503 -0.1055 3557796 ACon1_000419 C/C(=C\CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C)/CC[C@H](O)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E22 compound treatment 0.026 0.0244 0.68 0.666 -0.00381 -0.12 0.0229448347645072 0.024983870967742 0.756920837033662 0.7602 0.74 3554684 ACon1_000420 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@H]3N(CCc4cc(O)c(O)cc34)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E23 compound treatment 0.0049 0.00334 0.09 0.673 0.00319 0.1 -0.0320551652354928 -0.030016129032258 -0.909380037262518 -0.4112 -0.447 3557854 ACon1_000421 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 E24 compound treatment -0.009 -0.0106 -0.3 0.661 -0.00881 -0.29 -0.0230551652354928 -0.021016129032258 -0.636712621468597 -0.704 -0.9283 3559947 ACon1_000422 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C\c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F01 mock treatment -0.05 -0.0516 -1.45 0.666 -0.00381 -0.12 -0.0010551652354929 9.8387096774189E-4 0.0298077282498716 -0.8898 -0.6125 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F02 mock treatment -0.05 -0.0516 -1.45 0.636 -0.0338 -1.1 -0.0890551652354929 -0.0870161290322581 -2.63627367062402 -2.9912 -0.9344 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F03 compound treatment -0.022 -0.0236 -0.66 0.666 -0.00381 -0.12 -0.0150551652354929 -0.0130161290322581 -0.394341585207338 -0.6815 -0.873 3558066 ACon1_000423 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F04 compound treatment 0.013 0.0114 0.32 0.653 -0.0168 -0.55 -0.109055165235493 -0.107016129032258 -3.24220126127718 -2.0027 -0.6063 3559407 ACon1_000424 CC1=C2CC([C@@H](O)CC2(C)CCC1)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F05 compound treatment -0.013 -0.0146 -0.41 0.67 1.88E-4 0.01 0.0259448347645072 0.027983870967742 0.847809975631636 0.257 0.273 3559280 ACon1_000425 COc1cc(cc(OC)c1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F06 compound treatment -0.032 -0.0336 -0.94 0.649 -0.0208 -0.68 -0.0720551652354928 -0.070016129032258 -2.12123521856883 -2.1589 -0.893 3555180 ACon1_000426 COc1ccc(CCc2cc(OC)cc(=O)o2)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F07 compound treatment -0.034 -0.0356 -1.0 0.65 -0.0198 -0.64 0.0079448347645072 0.00998387096774199 0.302475144043795 -0.7726 -0.6308 3559863 ACon1_000427 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4=NCCc5cc(OC)c(OC)cc45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F08 compound treatment -0.041 -0.0426 -1.19 0.651 -0.0188 -0.61 -0.0640551652354928 -0.062016129032258 -1.87886418230757 -2.1265 -0.9213 3553794 ACon1_000428 CC[C@H](C)/C=C(\C)/C=C/C(=O)Cc1cc(O)c(C)c(O)c1C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F09 mock treatment -0.097 -0.0986 -2.76 0.639 -0.0308 -1.0 -0.0950551652354929 -0.0930161290322581 -2.81805194781996 -3.8001 -0.9332 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F10 mock treatment 0.02 0.0184 0.52 0.639 -0.0308 -1.0 -0.100055165235493 -0.0980161290322582 -2.96953384548326 -1.9943 -0.628 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F11 compound treatment -0.031 -0.0326 -0.91 0.603 -0.0668 -2.17 -0.115055165235493 -0.113016129032258 -3.42397953847312 -3.7568 -0.9042 3554484 ACon1_000429 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4cccc(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F12 compound treatment -0.042 -0.0436 -1.22 0.632 -0.0378 -1.23 -0.133055165235493 -0.131016129032258 -3.96931437006096 -3.7057 -0.8557 3557861 ACon1_000430 CC(=CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F13 compound treatment -0.004 -0.00558 -0.16 0.63 -0.0398 -1.29 9.44834764507199E-4 0.00298387096774199 0.0904004873151903 -0.7841 -0.601 2060491 ACon1_000431 CC(C)CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F14 compound treatment -0.028 -0.0296 -0.83 0.664 -0.00581 -0.19 -0.0790551652354928 -0.077016129032258 -2.33330987529744 -1.9355 -0.7792 3552813 ACon1_000432 C[C@@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F15 compound treatment -0.025 -0.0266 -0.75 0.679 0.00919 0.3 -0.0600551652354928 -0.058016129032258 -1.75767866417694 -1.2736 -0.659 3553624 ACon1_000433 CC(C)CC(=O)O[C@H]1C(CC2O[C@]2(C)C1=O)C(=C)C(=O)/C=C/C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F16 compound treatment -0.027 -0.0286 -0.8 0.663 -0.00681 -0.22 -0.0520551652354928 -0.050016129032258 -1.51530762791567 -1.4652 -0.8477 3557942 ACon1_000434 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F17 mock treatment -0.02 -0.0216 -0.61 0.639 -0.0308 -1.0 -0.0560551652354928 -0.054016129032258 -1.63649314604631 -1.8715 -0.9306 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F18 mock treatment -0.027 -0.0286 -0.8 0.655 -0.0148 -0.48 -0.00105516523549284 9.8387096774195E-4 0.0298077282498735 -0.7236 -0.7732 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F19 compound treatment 0.029 0.0274 0.77 0.661 -0.00881 -0.29 -0.0080551652354928 -0.00601612903225801 -0.18226692847873 0.1735 0.2065 3559629 ACon1_000435 C/C=C(/C)\C(=O)O[C@H]1C[C@@](C)(O)C(=O)[C@@H](OC(=O)/C(=C\C)/C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F20 compound treatment -0.035 -0.0366 -1.03 0.663 -0.00681 -0.22 -0.0580551652354928 -0.056016129032258 -1.69708590511162 -1.7003 -0.8519 3554672 ACon1_000436 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F21 compound treatment -0.02 -0.0216 -0.61 0.646 -0.0238 -0.77 -0.0180551652354929 -0.0160161290322581 -0.485230723805311 -1.0763 -0.9825 3559533 ACon1_000437 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F22 compound treatment -0.014 -0.0156 -0.44 0.66 -0.00981 -0.32 -0.0220551652354928 -0.020016129032258 -0.606416241935939 -0.7868 -0.9678 3558196 ACon1_000438 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F23 compound treatment -0.004 -0.00558 -0.16 0.629 -0.0408 -1.32 -0.0860551652354928 -0.084016129032258 -2.54538453202604 -2.3247 -0.809 3559742 ACon1_000439 C/C=C(/C)\C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)\C(=C\CO)\C)[C@H]1C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 F24 compound treatment 0.0129 0.0113 0.32 0.666 -0.00381 -0.12 0.00494483476450714 0.00698387096774193 0.21158600544582 0.2343 0.5836 1003829 ACon1_000440 CCCCCCC(O)CC=CCCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G01 compound treatment 0.022 0.0204 0.57 0.672 0.00219 0.07 0.0179448347645072 0.019983870967742 0.605438939370373 0.7204 0.8623 3557821 ACon1_000441 OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc4ccc(O)cc4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]2O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G02 compound treatment 0.0059 0.00434 0.12 0.679 0.00919 0.3 -0.00305516523549285 -0.00101612903225806 -0.0307850308154425 0.2246 0.6943 1119359 ACon1_000442 COc1cc2ccc(=O)oc2c(O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G03 mock treatment 0.006 0.00438 0.12 0.686 0.0162 0.53 0.00294483476450714 0.00498387096774193 0.150993246380504 0.4614 0.8235 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G04 mock treatment 0.028 0.0264 0.74 0.685 0.0152 0.49 0.0279448347645072 0.029983870967742 0.908402734696951 1.2367 0.9726 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G05 compound treatment 0.026 0.0244 0.68 0.695 0.0252 0.82 0.0219448347645072 0.023983870967742 0.726624457501005 1.2861 0.9972 3557908 ACon1_000443 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G06 compound treatment 0.025 0.0234 0.66 0.692 0.0222 0.72 0.0199448347645072 0.021983870967742 0.666031698435689 1.1794 0.9992 3552802 ACon1_000444 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G07 compound treatment 0.036 0.0344 0.96 0.696 0.0262 0.85 0.0309448347645072 0.032983870967742 0.999291873294925 1.6248 0.9977 3558163 ACon1_000445 CC1(C)O[C@@]2(C)CC[C@@H]1CC2OC3OC(CO)C(O)C(O)C3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G08 compound treatment 0.032 0.0304 0.85 0.688 0.0182 0.59 0.0289448347645072 0.030983870967742 0.938699114229609 1.3745 0.983 3614356 ACon1_000446 COc1c(O)cc2C(O)C(C)OC(=O)c3c(O)c(OC)c(O)c(O)c3C(O)C(C)OC(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G09 compound treatment 0.025 0.0234 0.66 0.698 0.0282 0.91 0.0199448347645072 0.021983870967742 0.666031698435689 1.2918 0.9874 1658516 ACon1_000447 CC(C)(O)C(O)COc1c2ccoc2cc3oc(=O)ccc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G10 compound treatment 0.016 0.0144 0.4 0.685 0.0152 0.49 0.0119448347645072 0.013983870967742 0.423660662174426 0.7619 0.9962 3614362 ACon1_000448 CC(=CCC/C(=C/CCC1(C)Oc2c3CN(C(CCC(=O)O)C(=O)O)C(=O)c3cc(O)c2CC1O)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G11 compound treatment 0.026 0.0244 0.68 0.683 0.0132 0.43 0.0239448347645072 0.025983870967742 0.78721721656632 1.0969 0.9727 3553707 ACon1_000449 CC(CCC1C(C)(O)C(=O)C=C2C(C)(C)CCCC12C)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G12 compound treatment 0.035 0.0334 0.94 0.699 0.0292 0.95 0.0319448347645072 0.033983870967742 1.02958825282758 1.6823 0.9991 3554773 ACon1_000450 COc1c(O)ccc2oc3c(OC)c4OC5(C)CCCC(O5)c4c(O)c3c(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G13 compound treatment 0.036 0.0344 0.96 0.686 0.0162 0.53 0.0289448347645072 0.030983870967742 0.938699114229609 1.4018 0.9705 3553974 ACon1_000451 CC1CC(=O)OC(C)C(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G14 compound treatment 0.027 0.0254 0.71 0.688 0.0182 0.59 0.0229448347645072 0.024983870967742 0.756920837033662 1.1893 0.9948 3555129 ACon1_000452 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G15 compound treatment 0.031 0.0294 0.82 0.694 0.0242 0.78 0.0249448347645072 0.026983870967742 0.817513596098978 1.4014 0.9998 3557302 ACon1_000453 CC(=O)NCCc1ccc(O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G16 compound treatment 0.016 0.0144 0.4 0.671 0.00119 0.04 0.0119448347645072 0.013983870967742 0.423660662174426 0.4996 0.8524 3559689 ACon1_000454 CO[C@H]1C[C@@H]2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G17 compound treatment 0.036 0.0344 0.96 0.697 0.0272 0.88 0.0299448347645072 0.031983870967742 0.968995493762267 1.626 0.9991 3557386 ACon1_000455 CC1CCCC2OC2C(=O)c3c(O)cc(O)cc3CC(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G18 compound treatment -0.038 -0.0396 -1.11 0.628 -0.0418 -1.36 -0.0090551652354928 -0.00701612903225801 -0.212563308011388 -1.5469 -0.876 3553155 ACon1_000456 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)c3ccc4C(=O)C5=C(C=C[C@]6(O)C[C@@](C)(O)CC(=O)[C@]56O)C(=O)c4c3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G19 mock treatment 0.032 0.0304 0.85 0.68 0.0102 0.33 0.0269448347645072 0.028983870967742 0.878106355164294 1.1903 0.9387 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G20 mock treatment 0.002 4.18E-4 0.01 0.686 0.0162 0.53 -0.0120551652354929 -0.0100161290322581 -0.303452446609364 0.1349 0.2223 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G21 compound treatment 0.027 0.0254 0.71 0.687 0.0172 0.56 0.0219448347645072 0.023983870967742 0.726624457501005 1.153 0.9935 3554304 ACon1_000457 CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G22 compound treatment 0.013 0.0114 0.32 0.683 0.0132 0.43 0.0119448347645072 0.013983870967742 0.423660662174426 0.6759 0.9918 1059159 ACon1_000458 COC(=O)C1=COC(C)C2CN3CCC4(C3CC21)C(=O)Nc5ccccc54 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G23 compound treatment 0.018 0.0164 0.46 0.689 0.0192 0.62 0.0149448347645071 0.0169838709677419 0.514549800772397 0.9217 0.992 3557966 ACon1_000459 CC(=CCc1c(O)ccc2c(=O)c(coc12)c3ccc(O)cc3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 G24 compound treatment 0.008 0.00638 0.18 0.677 0.00719 0.23 9.4483476450714E-4 0.00298387096774193 0.0904004873151885 0.2901 0.9434 3554685 ACon1_000460 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@H](O)C[C@]3(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H01 compound treatment 0.02 0.0184 0.52 0.676 0.00619 0.2 0.0149448347645072 0.016983870967742 0.5145498007724 0.7105 0.9406 3559300 ACon1_000461 C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@@H]6C7[C@@](C)(O)[C@@H](CC=C(C)C)O[C@@]7(O)[C@H](O)[C@]65C)C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H02 compound treatment 0.006 0.00438 0.12 0.692 0.0222 0.72 0.0029448347645071 0.00498387096774189 0.150993246380503 0.5738 0.7692 3559819 ACon1_000462 C/C=C(\C)/C(=O)O[C@@H]1C[C@@](C)(O)C(=O)C[C@@H](O)\C(=C\[C@H]2OC(=O)C(=C)[C@@H]21)\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H03 mock treatment 0.018 0.0164 0.46 0.675 0.00519 0.17 0.0149448347645072 0.016983870967742 0.5145498007724 0.6594 0.9288 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H04 mock treatment 0.02 0.0184 0.52 0.68 0.0102 0.33 0.00494483476450715 0.00698387096774194 0.21158600544582 0.6105 0.9425 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H05 compound treatment 0.019 0.0174 0.49 0.701 0.0312 1.01 0.0149448347645072 0.016983870967742 0.5145498007724 1.1628 0.9411 3557937 ACon1_000463 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H06 compound treatment 0.026 0.0244 0.68 0.681 0.0112 0.36 0.0189448347645072 0.020983870967742 0.635735318903031 0.9719 0.9697 3559369 ACon1_000464 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC43C)C12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H07 compound treatment 0.029 0.0274 0.77 0.699 0.0292 0.95 0.0159448347645072 0.017983870967742 0.544846180305058 1.3053 0.977 3059949 ACon1_000465 CC(=O)NCCc1c[nH]c2ccccc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H08 compound treatment 0.009 0.00738 0.21 0.676 0.00619 0.2 0.00394483476450714 0.00598387096774193 0.181289625913162 0.34 0.9985 3553802 ACon1_000466 CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=CO1)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H09 compound treatment -0.02 -0.0216 -0.61 0.641 -0.0288 -0.94 -0.00205516523549285 -1.61290322580601E-5 -4.88651282784669E-4 -0.8901 -0.7988 3553991 ACon1_000467 Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H10 compound treatment 0.025 0.0234 0.66 0.708 0.0382 1.24 0.0189448347645071 0.0209838709677419 0.635735318903028 1.461 0.9491 3557512 ACon1_000468 COc1cc(cc(OC)c1O)C(=O)OCC2(O)COC(OCC3OC(Oc4c(OC)cc(CO)cc4OC)C(O)C(O)C3O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H11 compound treatment 0.011 0.00938 0.26 0.679 0.00919 0.3 0.00594483476450714 0.00798387096774193 0.241882384978478 0.4636 0.9963 3557927 ACon1_000469 CCC/C=C/1\OC(=O)C2=C1CCC(O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H12 compound treatment 0.018 0.0164 0.46 0.668 -0.00181 -0.06 0.0159448347645072 0.017983870967742 0.544846180305058 0.5457 0.7633 3558562 ACon1_000470 COc1cc2ccc(=O)oc2cc1OCC=C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H13 compound treatment 0.031 0.0294 0.82 0.684 0.0142 0.46 0.0239448347645072 0.025983870967742 0.78721721656632 1.1959 0.9731 3554565 ACon1_000471 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@H]3[C@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@H]4CC[C@@]31C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H14 compound treatment 0.027 0.0254 0.71 0.701 0.0312 1.01 0.0229448347645072 0.024983870967742 0.756920837033662 1.4328 0.9875 3558607 ACon1_000472 COc1c2CC(Oc2cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c13)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H15 compound treatment -0.077 -0.0786 -2.2 0.62 -0.0498 -1.62 -0.0500551652354929 -0.0480161290322581 -1.45471486885036 -3.0459 -0.9836 3555928 ACon1_000473 Oc1cc2O/C(=C\c3cc(O)c(O)c(O)c3)/C(=O)c2c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H16 compound treatment 0.025 0.0234 0.66 0.679 0.00919 0.3 0.0109448347645072 0.012983870967742 0.393364282641768 0.7783 0.9475 3554273 ACon1_000474 CCCCCC[C@H](O)[C@@H]1C[C@@H](O)C2=C(O1)[C@@H](O)CCC2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H17 compound treatment 0.035 0.0334 0.94 0.681 0.0112 0.36 0.0249448347645072 0.026983870967742 0.817513596098978 1.2226 0.9438 3554214 ACon1_000475 CCCC#CC#CCCCCCCCCCCC(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H18 compound treatment 0.017 0.0154 0.43 0.681 0.0112 0.36 0.00994483476450715 0.0119838709677419 0.363067903109109 0.6682 0.9966 3554824 ACon1_000476 COc1cc(=O)oc(c1C)[C@@]2(C)O[C@H]2/C(=C\C(=C\[C@@]3(C)O[C@@H](C)[C@]4(C)OC43)\C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H19 mock treatment 0.025 0.0234 0.66 0.683 0.0132 0.43 0.0179448347645072 0.019983870967742 0.605438939370373 0.9757 0.9852 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H20 mock treatment 0.022 0.0204 0.57 0.676 0.00619 0.2 0.00794483476450715 0.00998387096774194 0.302475144043794 0.6204 0.9165 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H21 compound treatment 0.022 0.0204 0.57 0.674 0.00419 0.14 0.0149448347645072 0.016983870967742 0.5145498007724 0.7054 0.9034 3559440 ACon1_000477 COc1c(OC)c2c(C)cccc2oc1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H22 compound treatment 0.023 0.0214 0.6 0.683 0.0132 0.43 0.0129448347645072 0.014983870967742 0.453957041707084 0.8553 0.9885 3553645 ACon1_000478 CC(C)CC1NC(=O)C23C1C(C)C(=CC3/C=C(\C)/CCC(O)C(O)/C=C/C2=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H23 compound treatment 0.019 0.0174 0.49 0.697 0.0272 0.88 0.0149448347645072 0.016983870967742 0.5145498007724 1.0878 0.9612 3553179 ACon1_000479 CC(=C)C(=O)O[C@H]1CC(=C)C2C[C@H](O)[C@](O)(CO)C2[C@H]3OC(=O)C(=C)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 H24 compound treatment 0.025 0.0234 0.66 0.683 0.0132 0.43 0.0219448347645072 0.023983870967742 0.726624457501005 1.045 0.9784 3558419 ACon1_000480 CC(=O)O[C@H]1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I01 compound treatment 0.0059 0.00434 0.12 0.664 -0.00581 -0.19 0.00394483476450714 0.00598387096774193 0.181289625913162 0.066 0.2287 3557823 ACon1_000481 OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I02 compound treatment -0.016 -0.0176 -0.49 0.659 -0.0108 -0.35 -0.0170551652354929 -0.0150161290322581 -0.454934344272654 -0.7499 -0.9905 3558086 ACon1_000482 CC1(C)OC2(C)CCC1CC2OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I03 compound treatment -0.0021 -0.00366 -0.1 0.675 0.00519 0.17 -0.00305516523549286 -0.00101612903225807 -0.0307850308154428 0.0202 0.101 3557594 ACon1_000483 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I04 compound treatment -0.028 -0.0296 -0.83 0.645 -0.0248 -0.81 -0.0180551652354929 -0.0160161290322581 -0.485230723805311 -1.2246 -0.9762 3554871 ACon1_000484 COc1cc(cc2OCOc21)[C@H](OC(=O)/C(=C\C)/C)[C@@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(=O)/C(=C\C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I05 mock treatment -0.0031 -0.00466 -0.13 0.69 0.0202 0.66 -0.0150551652354929 -0.0130161290322581 -0.394341585207338 0.0751 0.0968 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I06 mock treatment -0.025 -0.0266 -0.75 0.659 -0.0108 -0.35 -0.0080551652354929 -0.00601612903225811 -0.182266928478733 -0.7381 -0.8749 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I07 compound treatment 0.0039 0.00234 0.07 0.688 0.0182 0.59 -0.0250551652354929 -0.0230161290322581 -0.697305380533916 -0.0239 -0.0261 3554216 ACon1_000485 CCCC(=O)O[C@@H]1C[C@@](C)(OC(=O)C)C2C[C@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]3OC(=O)[C@](C)(O)[C@@]31O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I08 compound treatment -0.0021 -0.00366 -0.1 0.649 -0.0208 -0.68 -0.00705516523549287 -0.00501612903225808 -0.151970548946074 -0.537 -0.7672 3558194 ACon1_000486 CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I09 compound treatment 0.015 0.0134 0.38 0.663 -0.00681 -0.22 -0.0230551652354928 -0.021016129032258 -0.636712621468597 -0.2787 -0.3613 3553540 ACon1_000487 CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I10 compound treatment 0.012 0.0104 0.29 0.672 0.00219 0.07 0.00394483476450714 0.00598387096774193 0.181289625913162 0.3137 0.8959 3552799 ACon1_000488 C[C@@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I11 compound treatment -0.009 -0.0106 -0.3 0.681 0.0112 0.36 -5.51652354928607E-5 0.00198387096774193 0.0601041077825306 0.0724 0.1529 3553147 ACon1_000489 C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(=C3C[C@]12C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I12 compound treatment 0.005 0.00338 0.09 0.654 -0.0158 -0.51 -5.51652354928503E-5 0.00198387096774194 0.060104107782531 -0.2069 -0.3939 3554781 ACon1_000490 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C(C(C)(C)O)C(C)(CCC(=O)O)C4Cc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I13 compound treatment 0.0139 0.0123 0.35 0.674 0.00419 0.14 -0.00205516523549284 -1.61290322580501E-5 -4.88651282784367E-4 0.2779 0.7477 3559698 ACon1_000491 C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)[C@H](O)C[C@H]3[C@@H](/C=C(\C)/C2=O)C3(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I14 compound treatment 0.001 -5.82E-4 -0.02 0.649 -0.0208 -0.68 -5.51652354929006E-5 0.00198387096774189 0.0601041077825294 -0.3647 -0.5376 3614364 ACon1_000492 CC1OC(=O)C23C(=C)C4(C)OC(=O)C31OC4C5=C(CO)C6(CCC52C)C(O)CC(=O)OC6(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I15 compound treatment -0.008 -0.00958 -0.27 0.666 -0.00381 -0.12 -0.0130551652354929 -0.0110161290322581 -0.333748826142022 -0.4192 -0.9401 3553199 ACon1_000493 CC(=CCc1ccc(Oc2c(O)cc(C)cc2CO)c(C(=O)O)c1O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I16 compound treatment -0.014 -0.0156 -0.44 0.655 -0.0148 -0.48 -0.0150551652354929 -0.0130161290322581 -0.394341585207338 -0.7574 -0.9968 3185114 ACon1_000494 CC[C@]1(C=CCN2CC[C@]3([C@H]4N(C)c5cc(OC)ccc53)[C@@H]21)[C@@H](OC(=O)C)[C@]4(O)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I17 compound treatment 0.023 0.0214 0.6 0.66 -0.00981 -0.32 0.0139448347645072 0.015983870967742 0.484253421239742 0.4418 0.5299 3559677 ACon1_000495 C/C(=C\C(=O)O)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I18 compound treatment 0.024 0.0224 0.63 0.642 -0.0278 -0.9 0.0169448347645072 0.018983870967742 0.575142559837715 0.1732 0.1396 804 ACon1_000496 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I19 compound treatment -0.009 -0.0106 -0.3 0.68 0.0102 0.33 -0.0180551652354929 -0.0160161290322581 -0.485230723805311 -0.2612 -0.3967 3557626 ACon1_000497 COc1ccc(CCC(=O)O)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I20 compound treatment 0.01 0.00838 0.23 0.659 -0.0108 -0.35 -0.00405516523549286 -0.00201612903225807 -0.0610814103481006 -0.1022 -0.2396 3557415 ACon1_000498 COC(=O)C[C@@H]1C[C@@H](C)C2C([C@@H]1O)C(=O)c3c(O)c4C5CC(O)C(O)(C(C)O5)c4c(O)c3C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I21 mock treatment 0.02 0.0184 0.52 0.654 -0.0158 -0.51 -5.51652354928399E-5 0.00198387096774195 0.0601041077825313 0.0359 0.0492 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I22 mock treatment 0.012 0.0104 0.29 0.675 0.00519 0.17 -0.00105516523549285 9.8387096774194E-4 0.0298077282498731 0.2824 0.8368 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I23 compound treatment 0.019 0.0174 0.49 0.677 0.00719 0.23 0.00494483476450714 0.00698387096774193 0.21158600544582 0.5381 0.9276 3557848 ACon1_000499 O[C@@H]1[C@@H](O)[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 I24 compound treatment 0.004 0.00238 0.07 0.647 -0.0228 -0.74 -0.00405516523549286 -0.00201612903225807 -0.0610814103481006 -0.4242 -0.5688 3557958 ACon1_000500 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C1CCC3(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J01 compound treatment -0.002 -0.00358 -0.1 0.649 -0.0208 -0.68 -0.0240551652354929 -0.0220161290322581 -0.667009001001258 -0.8331 -0.8727 3554282 ACon1_000501 CCCCCCC(O)CCCCCC/C=C/[C@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](N)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J02 compound treatment -0.047 -0.0486 -1.36 0.654 -0.0158 -0.51 -0.0460551652354929 -0.0440161290322581 -1.33352935071973 -1.8532 -0.9384 831700 ACon1_000502 CC(O)(CC(=O)O)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J03 compound treatment -0.01 -0.0116 -0.32 0.634 -0.0358 -1.16 -0.0180551652354929 -0.0160161290322581 -0.485230723805311 -1.1387 -0.8754 3559146 ACon1_000503 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J04 compound treatment 0.002 3.78E-4 0.01 0.654 -0.0158 -0.51 -0.0100551652354929 -0.00801612903225811 -0.242859687544049 -0.4304 -0.7579 3559332 ACon1_000504 CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J05 mock treatment -0.004 -0.00558 -0.16 0.656 -0.0138 -0.45 -0.0080551652354929 -0.00601612903225811 -0.182266928478733 -0.4544 -0.8934 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J06 mock treatment -0.0161 -0.0177 -0.5 0.675 0.00519 0.17 -0.0110551652354929 -0.00901612903225811 -0.273156067076707 -0.3464 -0.5871 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J07 compound treatment -0.006 -0.00762 -0.21 0.653 -0.0168 -0.55 -0.0210551652354929 -0.0190161290322581 -0.576119862403285 -0.771 -0.9382 3559937 ACon1_000505 C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CCC6=C5CC[C@]7(CCC(C)(C)C[C@@H]67)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C3(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J08 compound treatment -0.0091 -0.0107 -0.3 0.644 -0.0258 -0.84 -0.0170551652354929 -0.0150161290322581 -0.454934344272654 -0.9189 -0.9198 3558531 ACon1_000506 O[C@H]1[C@@H](C[C@](C[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)(OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O)OC(=O)/C=C/c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J09 compound treatment 0.0049 0.00334 0.09 0.657 -0.0128 -0.42 -0.0140551652354928 -0.012016129032258 -0.364045205674677 -0.3962 -0.7069 2060122 ACon1_000507 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J10 compound treatment -0.026 -0.0276 -0.77 0.587 -0.0828 -2.69 -0.0240551652354929 -0.0220161290322581 -0.667009001001258 -2.3839 -0.8291 3558561 ACon1_000508 COc1cc2ccc(=O)oc2cc1OCC3OC3(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J11 compound treatment 0.003 0.00142 0.04 0.655 -0.0148 -0.48 -0.0060551652354929 -0.00401612903225811 -0.121674169413417 -0.3248 -0.653 3552721 ACon1_000509 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J12 compound treatment 0.0 -0.00158 -0.04 0.661 -0.00881 -0.29 -0.0220551652354929 -0.0200161290322581 -0.606416241935943 -0.5408 -0.8049 3555910 ACon1_000510 OC[C@H]1O[C@@H](Oc2cccc3cc4COC(=O)c4c(O)c23)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J13 compound treatment -0.018 -0.0196 -0.55 0.657 -0.0128 -0.42 -0.0230551652354929 -0.0210161290322581 -0.6367126214686 -0.9247 -0.9858 154 ACon1_000511 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J14 compound treatment -0.013 -0.0146 -0.41 0.668 -0.00181 -0.06 -0.0140551652354929 -0.0120161290322581 -0.36404520567468 -0.4808 -0.872 3554559 ACon1_000512 COC(=O)[C@]1(C)OC(=O)[C@@H]2[C@](C)(C(=C)C[C@]3(O)[C@@]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C@@]23C)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J15 compound treatment -0.0101 -0.0117 -0.33 0.652 -0.0178 -0.58 -0.00405516523549286 -0.00201612903225807 -0.0610814103481006 -0.5578 -0.8363 1038770 ACon1_000513 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(OC)c(OC)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J16 compound treatment -0.005 -0.00658 -0.18 0.649 -0.0208 -0.68 -0.0220551652354929 -0.0200161290322581 -0.606416241935943 -0.8466 -0.914 3558004 ACon1_000514 OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(COC(=O)/C=C/c4ccccc4)[C@H]32)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J17 compound treatment 0.0049 0.00334 0.09 0.654 -0.0158 -0.51 -0.00105516523549286 9.8387096774193E-4 0.0298077282498728 -0.2251 -0.4307 3552617 ACon1_000515 C[C@@H]1[C@@H](C[C@]23COC(=O)C3=CCC[C@@H]2[C@@]1(C)CC(OC(=O)C)c4ccoc4)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J18 compound treatment -0.0101 -0.0117 -0.33 0.654 -0.0158 -0.51 -0.0170551652354929 -0.0150161290322581 -0.454934344272654 -0.7477 -0.9842 1062454 ACon1_000516 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J19 compound treatment 0.015 0.0134 0.38 0.661 -0.00881 -0.29 0.00194483476450715 0.00398387096774194 0.120696866847847 0.1211 0.2488 3559776 ACon1_000517 CCOC(=O)C1C(=O)C(=O)Nc2ccccc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J20 compound treatment 0.0079 0.00634 0.18 0.674 0.00419 0.14 -0.00205516523549284 -1.61290322580501E-5 -4.88651282784367E-4 0.1808 0.8081 3554280 ACon1_000518 CCCCCCC(C)C/C(=C\C(CO)\C=C(/C)\C=C\C(O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J21 mock treatment 0.01 0.00838 0.23 0.667 -0.00281 -0.09 -0.00105516523549286 9.8387096774193E-4 0.0298077282498728 0.1001 0.3946 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J22 mock treatment 0.0019 3.38E-4 0.01 0.653 -0.0168 -0.55 -0.00205516523549286 -1.61290322580701E-5 -4.88651282784971E-4 -0.3098 -0.5677 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J23 compound treatment -0.0031 -0.00466 -0.13 0.658 -0.0118 -0.38 -0.0150551652354929 -0.0130161290322581 -0.394341585207338 -0.5245 -0.9278 3554751 ACon1_000519 COC1=CC(=O)O[C@@H](CCc2ccccc2)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 J24 compound treatment -0.0071 -0.00866 -0.24 0.651 -0.0188 -0.61 -0.00405516523549286 -0.00201612903225807 -0.0610814103481006 -0.528 -0.8001 3558337 ACon1_000520 O[C@@H]1C=C(C[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K01 compound treatment 0.023 0.0214 0.6 0.676 0.00619 0.2 0.0119448347645072 0.013983870967742 0.423660662174426 0.7072 0.9283 3557834 ACon1_000521 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K02 compound treatment 0.005 0.00342 0.1 0.656 -0.0138 -0.45 -0.0010551652354929 9.8387096774189E-4 0.0298077282498716 -0.1863 -0.4055 3558087 ACon1_000522 OCC1OC(Oc2cc(O)c(C(=O)O)c(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K03 compound treatment 0.018 0.0164 0.46 0.68 0.0102 0.33 0.0149448347645072 0.016983870967742 0.5145498007724 0.7531 0.9847 3558017 ACon1_000523 COc1cc(O)c2c(=O)c(OC3OC(CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(O)C(O)C3O)c(oc2c1)c6ccc(O)cc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K04 compound treatment 0.006 0.00438 0.12 0.677 0.00719 0.23 0.0119448347645072 0.013983870967742 0.423660662174426 0.4502 0.9022 3554289 ACon1_000524 CCCCCCCC(=O)O[C@H]1[C@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@@H](C[C@@](C)(OC(=O)C)[C@H]12)OC(=O)C(C)CC)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K05 compound treatment 0.0089 0.00734 0.21 0.703 0.0332 1.08 0.0129448347645072 0.014983870967742 0.453957041707084 1.0027 0.8449 3558061 ACon1_000525 CC1CC(O)C2C(OC(=O)C2=C)C3=C(C)C(=O)CC13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K06 compound treatment 0.022 0.0204 0.57 0.679 0.00919 0.3 0.0199448347645072 0.021983870967742 0.666031698435689 0.8866 0.9566 3555625 ACon1_000526 O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H](Oc3ccc(O)cc3COC(=O)C4(O)C=CCCC4=O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K07 mock treatment -0.037 -0.0386 -1.08 0.693 0.0232 0.75 -0.0130551652354929 -0.0110161290322581 -0.333748826142022 -0.3827 -0.2816 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K08 mock treatment 0.01 0.00838 0.23 0.687 0.0172 0.56 0.00394483476450715 0.00598387096774194 0.181289625913162 0.5623 0.89 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K09 compound treatment -0.0101 -0.0117 -0.33 0.669 -8.12E-4 -0.03 -0.0060551652354929 -0.00401612903225811 -0.121674169413417 -0.2742 -0.7839 3559841 ACon1_000527 COc1ccc(cc1)c2cc(=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](COC(=O)C)[C@@H](O)[C@@H](O)[C@H]5O)c(O)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K10 compound treatment 0.018 0.0164 0.46 0.662 -0.00781 -0.25 0.0149448347645071 0.0169838709677419 0.514549800772397 0.4158 0.5659 3554769 ACon1_000528 COc1c(O)cc2C(O)C(C)OC(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K11 compound treatment 0.024 0.0224 0.63 0.72 0.0502 1.63 0.0179448347645072 0.019983870967742 0.605438939370373 1.6522 0.8943 3557888 ACon1_000529 OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K12 compound treatment 0.02 0.0184 0.52 0.676 0.00619 0.2 0.0169448347645072 0.018983870967742 0.575142559837715 0.7455 0.9343 3614365 ACon1_000530 CC1(CO)CCCC2(C)C1C(=O)CC3=C2COC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K13 compound treatment -0.007 -0.00858 -0.24 0.677 0.00719 0.23 -0.0100551652354929 -0.00801612903225811 -0.242859687544049 -0.1444 -0.349 3559595 ACon1_000531 C/C/1=C\CC[C@@]2(C)O[C@@H]2C[C@H]3[C@H](C1)OC(=O)C3=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K14 compound treatment 0.025 0.0234 0.66 0.687 0.0172 0.56 0.0029448347645072 0.00498387096774199 0.150993246380506 0.7883 0.9013 3557305 ACon1_000532 COc1cc(O)cc(C(=O)O)c1Oc2cc(C)cc(O)c2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K15 mock treatment 0.031 0.0294 0.82 0.69 0.0202 0.66 0.0259448347645072 0.027983870967742 0.847809975631636 1.3439 0.9939 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K16 mock treatment 0.021 0.0194 0.54 0.682 0.0122 0.4 0.0189448347645072 0.020983870967742 0.635735318903031 0.9091 0.9827 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K17 compound treatment 0.008 0.00638 0.18 0.677 0.00719 0.23 0.00194483476450714 0.00398387096774193 0.120696866847846 0.3076 0.9681 3614366 ACon1_000533 CC(C)CC1NC(=O)C(C)NC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K18 compound treatment 0.03 0.0284 0.8 0.647 -0.0228 -0.74 -0.0270551652354928 -0.025016129032258 -0.757898139599229 -0.405 -0.3055 3559135 ACon1_000534 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K19 compound treatment 0.015 0.0134 0.38 0.668 -0.00181 -0.06 0.0119448347645072 0.013983870967742 0.423660662174426 0.4272 0.7509 3557598 ACon1_000535 COc1c(O)cc2oc(c(OC)c(=O)c2c1O)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K20 compound treatment 0.068 0.0664 1.86 0.682 0.0122 0.4 0.0109448347645071 0.0129838709677419 0.393364282641765 1.5306 0.7874 3558949 ACon1_000536 C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K21 compound treatment 0.0029 0.00134 0.04 0.667 -0.00281 -0.09 0.0109448347645071 0.0129838709677419 0.393364282641765 0.1961 0.4835 3552947 ACon1_000537 C[C@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K22 compound treatment 0.019 0.0174 0.49 0.689 0.0192 0.62 0.0159448347645072 0.017983870967742 0.544846180305058 0.9554 0.995 1092498 ACon1_000538 OCC(O)c1nc(CO)cc2c3ccccc3[nH]c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K23 mock treatment 0.016 0.0144 0.4 0.681 0.0112 0.36 0.0139448347645072 0.015983870967742 0.484253421239742 0.722 0.9928 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 K24 mock treatment 0.0079 0.00634 0.18 0.684 0.0142 0.46 0.00494483476450715 0.00698387096774194 0.21158600544582 0.4906 0.9136 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L01 compound treatment -0.011 -0.0126 -0.35 0.654 -0.0158 -0.51 -0.103055165235493 -0.101016129032258 -3.06042298408123 -2.2669 -0.7258 3554760 ACon1_000539 COc1c(CO)c(O)cc2C(O)CCC(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L02 compound treatment 0.003 0.00138 0.04 0.67 1.88E-4 0.01 -0.0020551652354929 -1.61290322581104E-5 -4.88651282786193E-4 0.0255 0.6529 3559718 ACon1_000540 C[C@H]1C[C@H](O)C[C@H]2[C@H](OC(=O)C=C(C)C)[C@H](O)[C@H](C[C@]12C)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L03 compound treatment 0.002 3.78E-4 0.01 0.673 0.00319 0.1 -0.0010551652354929 9.8387096774189E-4 0.0298077282498716 0.0831 0.7678 3558002 ACon1_000541 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)/C=C/c7ccccc7)[C@H]1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L04 compound treatment -0.01 -0.0116 -0.33 0.648 -0.0218 -0.71 -0.0100551652354929 -0.00801612903225811 -0.242859687544049 -0.737 -0.903 3559482 ACon1_000542 C/C=C(\C)/C(=O)O[C@@H]1C\C(=C\CC\C(=C\[C@H]2OC(=O)C(=C)C21)\C)\C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L05 compound treatment 0.0049 0.00334 0.09 0.676 0.00619 0.2 0.00494483476450715 0.00698387096774194 0.21158600544582 0.2921 0.9536 592 ACon1_000543 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L06 compound treatment 0.022 0.0204 0.57 0.672 0.00219 0.07 0.0179448347645072 0.019983870967742 0.605438939370373 0.7204 0.8623 3614367 ACon1_000544 C[C@H]1[C@H](O)CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L07 mock treatment 0.005 0.00338 0.09 0.658 -0.0118 -0.38 -5.51652354928607E-5 0.00198387096774193 0.0601041077825306 -0.132 -0.3303 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L08 mock treatment 0.008 0.00638 0.18 0.652 -0.0178 -0.58 -0.0880551652354929 -0.0860161290322581 -2.60597729109136 -1.7351 -0.6486 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L09 compound treatment 0.021 0.0194 0.54 0.675 0.00519 0.17 0.0189448347645072 0.020983870967742 0.635735318903031 0.7779 0.9119 1024930 ACon1_000545 COc1c2C=CC(C)(C)Oc2cc3oc(=O)ccc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L10 compound treatment -0.001 -0.00258 -0.07 0.675 0.00519 0.17 -0.0090551652354929 -0.00701612903225811 -0.212563308011391 -0.0673 -0.2398 3558539 ACon1_000546 OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L11 compound treatment 0.008 0.00638 0.18 0.681 0.0112 0.36 0.00394483476450715 0.00598387096774194 0.181289625913162 0.4175 0.9415 3557749 ACon1_000547 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L12 compound treatment 0.019 0.0174 0.49 0.681 0.0112 0.36 0.0129448347645072 0.014983870967742 0.453957041707084 0.753 0.9928 3555408 ACon1_000548 CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L13 compound treatment 0.0099 0.00834 0.23 0.676 0.00619 0.2 0.00794483476450715 0.00998387096774194 0.302475144043794 0.4255 0.9855 1010501 ACon1_000549 Cn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L14 compound treatment -0.0021 -0.00366 -0.1 0.678 0.00819 0.27 -0.00105516523549286 9.8387096774193E-4 0.0298077282498728 0.1114 0.3888 3558008 ACon1_000550 COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(=O)O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L15 mock treatment 0.018 0.0164 0.46 0.675 0.00519 0.17 0.0119448347645072 0.013983870967742 0.423660662174426 0.6069 0.938 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L16 mock treatment -0.0101 -0.0117 -0.33 0.676 0.00619 0.2 0.00594483476450715 0.00798387096774194 0.241882384978478 0.0668 0.1473 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L17 compound treatment 0.02 0.0184 0.52 0.689 0.0192 0.62 0.0159448347645072 0.017983870967742 0.544846180305058 0.9716 0.9968 2060138 ACon1_000551 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L18 compound treatment 0.023 0.0214 0.6 0.663 -0.00681 -0.22 0.0159448347645072 0.017983870967742 0.544846180305058 0.533 0.6348 3558019 ACon1_000552 CC1C2CC3C(CCC(=O)C)C3(C)CC2OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L19 compound treatment 0.018 0.0164 0.46 0.669 -8.12E-4 -0.03 0.00894483476450715 0.0109838709677419 0.332771523576451 0.442 0.7786 3559721 ACon1_000553 C/C(=C\CO)/C(=O)O[C@@H]1C\C(=C\CC[C@@]2(C)OC2[C@H]3OC(=O)C(=C)C31)\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L20 compound treatment -0.014 -0.0156 -0.44 0.678 0.00819 0.27 0.0159448347645072 0.017983870967742 0.544846180305058 0.2151 0.2876 3558114 ACon1_000554 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c5ccccc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L21 compound treatment 0.01 0.00838 0.23 0.679 0.00919 0.3 -0.0020551652354929 -1.61290322581104E-5 -4.88651282786193E-4 0.3075 0.8101 3553337 ACon1_000555 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@]2(C)[C@@H](CC3[C@H](OC(=O)C3=C)[C@H]2C1=C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L22 compound treatment 0.015 0.0134 0.38 0.684 0.0142 0.46 0.00594483476450715 0.00798387096774194 0.241882384978478 0.622 0.97 3558119 ACon1_000556 COc1ccc(/C=C/C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L23 mock treatment 0.0139 0.0123 0.35 0.686 0.0162 0.53 0.0129448347645072 0.014983870967742 0.453957041707084 0.7651 0.9863 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 L24 mock treatment 0.018 0.0164 0.46 0.686 0.0162 0.53 0.0179448347645072 0.019983870967742 0.605438939370373 0.918 0.9937 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M01 compound treatment 0.0019 3.38E-4 0.01 0.683 0.0132 0.43 0.00494483476450715 0.00698387096774194 0.21158600544582 0.3747 0.7847 3557875 ACon1_000557 CC(CCc1ccc(O)cc1)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M02 compound treatment 0.015 0.0134 0.38 0.663 -0.00681 -0.22 0.0119448347645072 0.013983870967742 0.423660662174426 0.3335 0.549 3558144 ACon1_000558 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M03 compound treatment -0.0141 -0.0157 -0.44 0.678 0.00819 0.27 -0.0100551652354929 -0.00801612903225811 -0.242859687544049 -0.2403 -0.4232 3557783 ACon1_000559 O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M04 compound treatment -0.032 -0.0336 -0.94 0.639 -0.0308 -1.0 -0.0090551652354929 -0.00701612903225811 -0.212563308011391 -1.2443 -0.8948 353 ACon1_000560 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M05 compound treatment -0.0011 -0.00266 -0.07 0.674 0.00419 0.14 0.00594483476450715 0.00798387096774194 0.241882384978478 0.1751 0.6094 3555963 ACon1_000561 OCC1OC(OC(=O)c2c(O)cc(O)cc2/C=C/c3ccccc3)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M06 compound treatment -0.0071 -0.00866 -0.24 0.682 0.0122 0.4 -5.51652354928499E-5 0.00198387096774194 0.060104107782531 0.1229 0.2625 3557538 ACon1_000562 CC1CC2OC(=O)C(=C)C2CC3OC31/C=C/C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M07 compound treatment -0.0061 -0.00766 -0.21 0.679 0.00919 0.3 -0.00305516523549285 -0.00101612903225806 -0.0307850308154425 0.0304 0.0823 3558167 ACon1_000563 CCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M08 compound treatment -0.02 -0.0216 -0.61 0.668 -0.00181 -0.06 -0.0040551652354929 -0.00201612903225811 -0.0610814103481018 -0.4192 -0.6849 3558079 ACon1_000564 CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M09 mock treatment -0.0011 -0.00266 -0.07 0.644 -0.0258 -0.84 -0.0160551652354929 -0.0140161290322581 -0.424637964739996 -0.7719 -0.8193 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M10 mock treatment -0.031 -0.0326 -0.91 0.648 -0.0218 -0.71 -0.0190551652354929 -0.0170161290322581 -0.515527103337969 -1.2344 -0.9748 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M11 compound treatment 0.008 0.00638 0.18 0.66 -0.00981 -0.32 -0.00305516523549286 -0.00101612903225807 -0.0307850308154428 -0.0984 -0.2684 3558160 ACon1_000565 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M12 compound treatment -0.0161 -0.0177 -0.5 0.657 -0.0128 -0.42 -0.0010551652354929 9.8387096774189E-4 0.0298077282498716 -0.5088 -0.786 3614369 ACon1_000566 COc1ccc(C(=O)Oc2ccc(C)c3CC(C)OC(=O)c23)c4CC(C)OC(=O)c14 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M13 mock treatment -0.0171 -0.0187 -0.52 0.651 -0.0188 -0.61 -0.0140551652354929 -0.0120161290322581 -0.36404520567468 -0.8648 -0.9797 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M14 mock treatment -0.02 -0.0216 -0.61 0.676 0.00619 0.2 -0.0220551652354929 -0.0200161290322581 -0.606416241935943 -0.5842 -0.6633 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M15 compound treatment -0.02 -0.0216 -0.61 0.655 -0.0148 -0.48 0.00194483476450714 0.00398387096774193 0.120696866847846 -0.5579 -0.7124 3554270 ACon1_000567 CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M16 compound treatment -0.018 -0.0196 -0.55 0.645 -0.0248 -0.81 -0.0250551652354929 -0.0230161290322581 -0.697305380533916 -1.1851 -0.9885 3559697 ACon1_000568 CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CC[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M17 compound treatment 0.004 0.00238 0.07 0.665 -0.00481 -0.16 -0.00805516523549287 -0.00601612903225808 -0.182266928478732 -0.1569 -0.6298 3614370 ACon1_000569 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@]76C)[C@@]4(C)CO)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M18 compound treatment -0.011 -0.0126 -0.35 0.607 -0.0628 -2.04 -0.0310551652354929 -0.0290161290322581 -0.879083657729863 -1.8882 -0.84 3554688 ACon1_000570 COC(=O)C1=CO[C@@H](OC2OC(CO)C(O)C(O)C2O)[C@H](C=C)[C@@H]1CCOC(=O)c3cc(O)c(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M19 compound treatment 0.0089 0.00734 0.21 0.661 -0.00881 -0.29 -0.00505516523549285 -0.00301612903225806 -0.0913777898807581 -0.0991 -0.2723 3553705 ACon1_000571 CC(CCC1(O)OC(=O)C=C1C)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M20 compound treatment -0.001 -0.00258 -0.07 0.657 -0.0128 -0.42 -0.0060551652354929 -0.00401612903225811 -0.121674169413417 -0.3521 -0.8016 3559384 ACon1_000572 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@@H]31)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@@H](O)C[C@@H]64 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M21 compound treatment -0.005 -0.00662 -0.19 0.666 -0.00381 -0.12 -0.0070551652354929 -0.00501612903225811 -0.151970548946075 -0.2664 -0.9867 3557814 ACon1_000573 COc1cc(cc(OC)c1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M22 compound treatment -0.012 -0.0136 -0.38 0.666 -0.00381 -0.12 -5.51652354928989E-5 0.00198387096774189 0.0601041077825295 -0.2572 -0.6337 1023017 ACon1_000574 COc1cc2oc(=O)ccc2cc1CC=C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M23 compound treatment 0.004 0.00238 0.07 0.662 -0.00781 -0.25 9.44834764507139E-4 0.00298387096774193 0.0904004873151884 -0.0557 -0.2008 3558029 ACon1_000575 COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]2O)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 M24 compound treatment -0.025 -0.0266 -0.75 0.653 -0.0168 -0.55 -0.0160551652354929 -0.0140161290322581 -0.424637964739996 -0.9911 -0.9742 3559875 ACon1_000576 COc1ccc(cc1)c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N01 compound treatment -0.057 -0.0586 -1.64 0.665 -0.00481 -0.16 -0.0230551652354929 -0.0210161290322581 -0.6367126214686 -1.4061 -0.7951 3558056 ACon1_000577 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N02 compound treatment -0.014 -0.0156 -0.44 0.625 -0.0448 -1.45 -0.0370551652354929 -0.0350161290322581 -1.06086193492581 -1.705 -0.9203 2118288 ACon1_000578 CCCC#C/C=C/1\OC(=O)C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N03 compound treatment 0.005 0.00338 0.09 0.652 -0.0178 -0.58 -0.00705516523549287 -0.00501612903225808 -0.151970548946074 -0.3668 -0.6061 3558083 ACon1_000579 CC(=O)OC[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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N04 compound treatment -0.041 -0.0426 -1.19 0.635 -0.0348 -1.13 -0.0400551652354929 -0.0380161290322581 -1.15175107352378 -2.0065 -0.9997 3553187 ACon1_000580 CC(=CCC/C(=C/COc1cc(=O)oc2cccc(C)c12)/COC(=O)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N05 compound treatment -0.023 -0.0246 -0.69 0.668 -0.00181 -0.06 -0.0260551652354929 -0.0240161290322581 -0.727601760066574 -0.8526 -0.8486 3173763 ACon1_000581 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N06 compound treatment -0.033 -0.0346 -0.97 0.658 -0.0118 -0.38 -0.0180551652354929 -0.0160161290322581 -0.485230723805311 -1.0613 -0.9228 1733214 ACon1_000582 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N07 compound treatment -0.064 -0.0656 -1.84 0.655 -0.0148 -0.48 -0.0320551652354929 -0.0300161290322581 -0.909380037262521 -1.8642 -0.8848 1043213 ACon1_000583 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N08 compound treatment -0.048 -0.0496 -1.39 0.664 -0.00581 -0.19 -0.0450551652354929 -0.0430161290322581 -1.30323297118707 -1.6646 -0.869 3558609 ACon1_000584 COc1cc(ccc1O)[C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N09 mock treatment -0.065 -0.0666 -1.87 0.644 -0.0258 -0.84 -0.0470551652354929 -0.0450161290322581 -1.36382573025239 -2.3488 -0.9552 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N10 mock treatment 0.004 0.00242 0.07 0.664 -0.00581 -0.19 -0.0030551652354929 -0.00101612903225811 -0.030785030815444 -0.0875 -0.4316 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N11 compound treatment -0.034 -0.0356 -1.0 0.645 -0.0248 -0.81 -0.0250551652354929 -0.0230161290322581 -0.697305380533916 -1.4441 -0.989 3553255 ACon1_000585 CC(=O)CCCC1Cc2cccc(O)c2C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N12 compound treatment 0.006 0.00438 0.12 0.642 -0.0278 -0.9 -0.0100551652354929 -0.00801612903225811 -0.242859687544049 -0.5905 -0.6263 3553375 ACon1_000586 CC(=O)OC[C@@]12CCC(=CC2O[C@@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]1(C)C53CO5)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N13 mock treatment -0.028 -0.0296 -0.83 0.666 -0.00381 -0.12 -0.0400551652354929 -0.0380161290322581 -1.15175107352378 -1.2159 -0.8531 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N14 mock treatment 0.009 0.00738 0.21 0.642 -0.0278 -0.9 -0.0160551652354929 -0.0140161290322581 -0.424637964739996 -0.6469 -0.635 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N15 compound treatment -0.063 -0.0646 -1.81 0.66 -0.00981 -0.32 -0.0440551652354929 -0.0420161290322581 -1.27293659165441 -1.9642 -0.8784 1303116 ACon1_000587 Oc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N16 compound treatment 0.002 3.78E-4 0.01 0.661 -0.00881 -0.29 -0.0050551652354929 -0.00301612903225811 -0.0913777898807596 -0.2118 -0.7048 3557944 ACon1_000588 C/C(=C\C(=O)O)/CCC1=C(C)CCC2C(C)(C)CCC[C@@]21C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N17 compound treatment -0.036 -0.0376 -1.05 0.651 -0.0188 -0.61 -0.0080551652354929 -0.00601612903225811 -0.182266928478733 -1.0661 -0.8658 3559690 ACon1_000589 COC(=O)C1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1/C(=C\C)/CN2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N18 compound treatment 0.007 0.00538 0.15 0.663 -0.00681 -0.22 0.00294483476450715 0.00498387096774194 0.150993246380504 0.0466 0.1516 3558020 ACon1_000590 OC[C@H]1OC([C@H](O)[C@@H](O)[C@H]1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N19 compound treatment -0.011 -0.0126 -0.35 0.659 -0.0108 -0.35 -0.0210551652354929 -0.0190161290322581 -0.576119862403285 -0.7395 -0.9708 3559729 ACon1_000591 CC1=CC2(CC1CC=C23)CCC4[C@](C)(CO)[C@H](O)CC[C@]43C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N20 compound treatment -0.02 -0.0216 -0.61 0.66 -0.00981 -0.32 -0.0070551652354929 -0.00501612903225811 -0.151970548946075 -0.6216 -0.8862 3558252 ACon1_000592 COc1cc2occc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1CCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N21 compound treatment -0.0071 -0.00866 -0.24 0.666 -0.00381 -0.12 0.00494483476450715 0.00698387096774194 0.21158600544582 -0.0895 -0.2593 3553911 ACon1_000593 CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N22 compound treatment -0.013 -0.0146 -0.41 0.661 -0.00881 -0.29 -0.0140551652354929 -0.0120161290322581 -0.36404520567468 -0.612 -0.9897 3558104 ACon1_000594 CC1CC(=O)[C@@]2(O)[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OCCc4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N23 compound treatment 0.009 0.00738 0.21 0.664 -0.00581 -0.19 -0.00205516523549286 -1.61290322580701E-5 -4.88651282784971E-4 0.0102 0.0366 3554077 ACon1_000595 Cc1cccc2oc(=O)c3c(O[C@@]4(C[C@]3(C)C=C)OC[C@@]5(C)O[C@H]54)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 N24 compound treatment 0.012 0.0104 0.29 0.67 1.88E-4 0.01 9.4483476450715E-4 0.00298387096774194 0.0904004873151888 0.2237 0.734 3558467 ACon1_000596 Oc1cc(O)cc(CCCCCCC/C=C\C/C=C\CC=C)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O01 compound treatment 0.029 0.0274 0.77 0.676 0.00619 0.2 0.0219448347645072 0.023983870967742 0.726624457501005 0.9793 0.9095 3557850 ACon1_000597 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O02 compound treatment 0.011 0.00938 0.26 0.666 -0.00381 -0.12 0.00594483476450715 0.00798387096774194 0.241882384978478 0.22 0.5819 3558145 ACon1_000598 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@](C)(C7CC[C@@]6(C)[C@]5(C)CC3)C(=O)O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O03 compound treatment 0.009 0.00738 0.21 0.661 -0.00881 -0.29 0.00394483476450715 0.00598387096774194 0.181289625913162 0.059 0.1486 3554994 ACon1_000599 COc1cc(O)cc(c2cc(O)c(O)cc2C)c1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O04 compound treatment 0.015 0.0134 0.38 0.675 0.00519 0.17 0.0119448347645072 0.013983870967742 0.423660662174426 0.5584 0.9458 3558210 ACon1_000600 Oc1ccc(/C=C/C(=O)NCCCCN(CCCN(CCCNC(=O)\C=C\c2ccc(O)cc2)C(=O)\C=C\c3ccc(O)cc3)C(=O)\C=C\c4ccc(O)cc4)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O05 compound treatment 0.011 0.00938 0.26 0.672 0.00219 0.07 0.00894483476450715 0.0109838709677419 0.332771523576451 0.3849 0.8951 3558099 ACon1_000601 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O[C@@H]5O[C@H](CO)C(O)[C@H](O)[C@H]5O)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O06 compound treatment 0.007 0.00538 0.15 0.668 -0.00181 -0.06 0.00394483476450715 0.00598387096774194 0.181289625913162 0.1578 0.6492 3557819 ACon1_000602 COC(=O)/C=C(\C)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O07 compound treatment -0.005 -0.00658 -0.18 0.678 0.00819 0.27 -0.0110551652354929 -0.00901612903225811 -0.273156067076707 -0.1108 -0.2618 3558175 ACon1_000603 CC1CC2OC(=O)C(=C)C2CC=C1CCC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O08 compound treatment 0.003 0.00142 0.04 0.658 -0.0118 -0.38 -5.51652354929006E-5 0.00198387096774189 0.0601041077825294 -0.1637 -0.4196 3557525 ACon1_000604 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c4ccc(O)c(O)c4)C(OC5OCC(O)C(O)C5O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O09 compound treatment 0.009 0.00738 0.21 0.675 0.00519 0.17 -0.00205516523549286 -1.61290322580701E-5 -4.88651282784971E-4 0.2164 0.8112 3614377 ACon1_000605 C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O10 compound treatment -0.006 -0.00758 -0.21 0.659 -0.0108 -0.35 -0.0110551652354929 -0.00901612903225811 -0.273156067076707 -0.483 -0.98 3558377 ACon1_000606 CC(=CCc1c(O)cc2occ(c3ccc(O)cc3O)c(=O)c2c1O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O11 mock treatment 0.006 0.00442 0.12 0.662 -0.00781 -0.25 -0.0040551652354929 -0.00201612903225811 -0.0610814103481018 -0.1101 -0.3814 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O12 mock treatment 0.007 0.00538 0.15 0.656 -0.0138 -0.45 -5.51652354928607E-5 0.00198387096774193 0.0601041077825306 -0.1371 -0.2875 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O13 compound treatment 0.001 -5.82E-4 -0.02 0.679 0.00919 0.3 -0.0040551652354929 -0.00201612903225811 -0.0610814103481018 0.1275 0.4182 3558336 ACon1_000607 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O14 compound treatment 0.005 0.00338 0.09 0.672 0.00219 0.07 -5.51652354929006E-5 0.00198387096774189 0.0601041077825294 0.1304 0.9821 3559606 ACon1_000608 COc1cc(CCc2ccc3OCOc3c2)oc(=O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O15 compound treatment 0.023 0.0214 0.6 0.668 -0.00181 -0.06 0.0159448347645072 0.017983870967742 0.544846180305058 0.6267 0.7716 3553200 ACon1_000609 CC(=CCCC(C)(O)C(O)CC(OC(=O)C)/C(=C/COCC(O)C(O)C(O)C(O)CO)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O16 compound treatment 0.002 4.18E-4 0.01 0.674 0.00419 0.14 -0.0040551652354929 -0.00201612903225811 -0.0610814103481018 0.05 0.3343 3074726 ACon1_000610 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O17 compound treatment 0.003 0.00138 0.04 0.67 1.88E-4 0.01 -0.00205516523549286 -1.61290322580701E-5 -4.88651282784971E-4 0.0255 0.6529 3557679 ACon1_000611 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O18 compound treatment 0.002 4.18E-4 0.01 0.648 -0.0218 -0.71 -0.0050551652354929 -0.00301612903225811 -0.0913777898807596 -0.4547 -0.6369 3559274 ACon1_000612 COc1cc(OC)c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O19 compound treatment -0.005 -0.00658 -0.18 0.662 -0.00781 -0.25 -0.0100551652354929 -0.00801612903225811 -0.242859687544049 -0.3931 -0.9912 3557735 ACon1_000613 COC1CC(O[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@]5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O20 compound treatment -0.01 -0.0116 -0.32 0.661 -0.00881 -0.29 -0.0140551652354929 -0.0120161290322581 -0.36404520567468 -0.5628 -0.9952 3558277 ACon1_000614 C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)c6ccc(O)cc6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O21 compound treatment 0.015 0.0134 0.38 0.662 -0.00781 -0.25 0.0119448347645072 0.013983870967742 0.423660662174426 0.3148 0.5076 3557827 ACon1_000615 OC(CCCCc1ccc(O)cc1)CCc2ccc(O)cc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O22 compound treatment 0.008 0.00638 0.18 0.67 1.88E-4 0.01 0.0029448347645071 0.00498387096774189 0.150993246380503 0.1939 0.8283 3557897 ACon1_000616 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O23 compound treatment 0.011 0.00938 0.26 0.664 -0.00581 -0.19 0.0129448347645072 0.014983870967742 0.453957041707084 0.305 0.5471 3555034 ACon1_000617 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@H](C)[C@H](O)[C@H]2OC(=O)C)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 O24 compound treatment -0.007 -0.00858 -0.24 0.651 -0.0188 -0.61 -0.0100551652354929 -0.00801612903225811 -0.242859687544049 -0.6316 -0.9027 3559877 ACon1_000618 OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P01 compound treatment -0.007 -0.00858 -0.24 0.664 -0.00581 -0.19 -0.0110551652354929 -0.00901612903225811 -0.273156067076707 -0.4055 -0.9891 3559267 ACon1_000619 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)[C@H]([C@H](O)[C@](C)(CO)C5CC[C@]43C)C(=O)O)C12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P02 compound treatment -0.0041 -0.00566 -0.16 0.671 0.00119 0.04 -0.00105516523549286 9.8387096774193E-4 0.0298077282498728 -0.0521 -0.3141 3559411 ACon1_000620 CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1OC(=O)/C=C/c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P03 compound treatment -0.001 -0.00258 -0.07 0.674 0.00419 0.14 -0.0060551652354929 -0.00401612903225811 -0.121674169413417 -0.0336 -0.1711 3557780 ACon1_000621 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P04 compound treatment 0.002 4.18E-4 0.01 0.66 -0.00981 -0.32 -0.0040551652354929 -0.00201612903225811 -0.0610814103481018 -0.2124 -0.6545 1506 ACon1_000622 OCc1cc(=O)c(O)co1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P05 compound treatment 0.0019 3.38E-4 0.01 0.654 -0.0158 -0.51 0.00494483476450715 0.00698387096774194 0.21158600544582 -0.1687 -0.3038 3557935 ACon1_000623 OC[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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P06 compound treatment 0.0079 0.00634 0.18 0.66 -0.00981 -0.32 0.00294483476450715 0.00498387096774194 0.150993246380504 0.0059 0.0149 3554108 ACon1_000624 CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)C2=CO1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P07 compound treatment -0.011 -0.0126 -0.35 0.659 -0.0108 -0.35 -0.0140551652354929 -0.0120161290322581 -0.36404520567468 -0.6171 -0.9999 1043213 ACon1_000625 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P08 compound treatment 0.001 -5.82E-4 -0.02 0.672 0.00219 0.07 -0.0050551652354929 -0.00301612903225811 -0.0913777898807596 -0.0212 -0.1813 3557255 ACon1_000626 OC(=O)C(=C)Oc1cccc(c1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P09 compound treatment 0.004 0.00238 0.07 0.653 -0.0168 -0.55 -5.51652354928607E-5 0.00198387096774193 0.0601041077825306 -0.2418 -0.4373 3559264 ACon1_000627 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P10 compound treatment -0.002 -0.00358 -0.1 0.653 -0.0168 -0.55 -0.0060551652354929 -0.00401612903225811 -0.121674169413417 -0.4433 -0.7804 3553970 ACon1_000628 Cc1cc(=O)c2c(O)c3CC(Oc3cc2o1)C(C)(C)OC4OC(CO)C(O)C(O)C4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P11 mock treatment -0.008 -0.00958 -0.27 0.644 -0.0258 -0.84 -0.0160551652354929 -0.0140161290322581 -0.424637964739996 -0.8839 -0.9049 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P12 mock treatment -0.004 -0.00558 -0.16 0.664 -0.00581 -0.19 -0.0120551652354929 -0.0100161290322581 -0.303452446609364 -0.3745 -0.96 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P13 compound treatment 0.007 0.00538 0.15 0.651 -0.0188 -0.61 -0.0020551652354929 -1.61290322581104E-5 -4.88651282786193E-4 -0.2657 -0.4225 3553930 ACon1_000629 CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3CC12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P14 compound treatment 0.015 0.0134 0.38 0.662 -0.00781 -0.25 0.00894483476450715 0.0109838709677419 0.332771523576451 0.2623 0.4668 3557957 ACon1_000630 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C(C)C(O)CC31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P15 compound treatment 0.0 -0.00158 -0.04 0.666 -0.00381 -0.12 -0.0050551652354929 -0.00301612903225811 -0.0913777898807596 -0.1498 -0.9357 3559851 ACon1_000631 COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P16 compound treatment 0.002 3.78E-4 0.01 0.653 -0.0168 -0.55 -0.0040551652354929 -0.00201612903225811 -0.0610814103481018 -0.3442 -0.6267 3554298 ACon1_000632 CCCCCCCCCC(O)CC(O)CC(O)CC1CC=CC(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P17 compound treatment 0.006 0.00438 0.12 0.645 -0.0248 -0.81 -0.0040551652354929 -0.00201612903225811 -0.0610814103481018 -0.4293 -0.5256 3559696 ACon1_000633 COc1cc2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc5OCOc5c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P18 compound treatment -0.012 -0.0136 -0.38 0.672 0.00219 0.07 -0.0220551652354929 -0.0200161290322581 -0.606416241935943 -0.529 -0.7351 3558198 ACon1_000634 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P19 compound treatment 0.002 3.78E-4 0.01 0.668 -0.00181 -0.06 -0.0080551652354929 -0.00601612903225811 -0.182266928478733 -0.1331 -0.6937 3559409 ACon1_000635 CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P20 compound treatment 0.003 0.00138 0.04 0.667 -0.00281 -0.09 -0.0040551652354929 -0.00201612903225811 -0.0610814103481018 -0.0657 -0.5639 3558052 ACon1_000636 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P21 compound treatment 0.006 0.00438 0.12 0.675 0.00519 0.17 -0.0030551652354929 -0.00101612903225811 -0.030785030815444 0.1503 0.7136 1001932 ACon1_000637 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P22 compound treatment -1.0E-4 -0.00166 -0.05 0.669 -8.12E-4 -0.03 -0.0080551652354929 -0.00601612903225811 -0.182266928478733 -0.1474 -0.7757 3559888 ACon1_000638 Oc1ccc(c(O)c1)c2coc3cc(O)cc(O)c3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P23 compound treatment -0.009 -0.0106 -0.3 0.667 -0.00281 -0.09 -0.0150551652354929 -0.0130161290322581 -0.394341585207338 -0.4517 -0.9 3559630 ACon1_000639 CC(C)C(=O)OCC(=C)C1Oc2cc(ccc2C1OC(=O)C(C)C)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2291 P24 compound treatment 0.031 0.0294 0.82 0.664 -0.00581 -0.19 0.0269448347645072 0.028983870967742 0.878106355164294 0.8736 0.7169 3558347 ACon1_000640 C[C@]1(CCC[C@]2(C)C1CC[C@]3(CC4CC[C@]32O)CC4=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A01 compound treatment -0.0367 -0.0361 -1.01 0.721 0.0473 1.53 0.014400409626216 0.0151935483870968 0.460309508383286 0.5674 0.2995 3558339 ACon1_000641 COC(=O)C1=C[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A02 compound treatment 0.0313 0.0319 0.89 0.694 0.0203 0.66 0.001400409626216 0.00219354838709682 0.0664565744587348 0.9347 0.8402 3558365 ACon1_000642 CC(=CCC/C(=C/C(C/C(=C/C(CC(C)(O)C=C)OC(=O)C)/C)OC(=O)C)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A03 compound treatment 0.0033 0.00394 0.11 0.647 -0.0267 -0.87 -5.99590373784001E-4 1.93548387096823E-4 0.00586381539341912 -0.4337 -0.4959 3558431 ACon1_000643 CC(=CCC(O)/C(=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A04 compound treatment 0.0013 0.00194 0.05 0.666 -0.00773 -0.25 0.018400409626216 0.0191935483870968 0.581495026513918 0.2222 0.3496 3559889 ACon1_000644 CCC(=O)OCC1=CCCC2C(C)(CCC(C)CC(=O)O)C(C)CCC21C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A05 compound treatment 0.0293 0.0299 0.84 0.689 0.0153 0.5 -0.017599590373784 -0.0168064516129032 -0.509174636661764 0.4764 0.4334 3558559 ACon1_000645 COc1cc2ccc(=O)oc2cc1OCC(O)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A06 compound treatment 0.0103 0.0109 0.31 0.663 -0.0107 -0.35 0.012400409626216 0.0131935483870968 0.399716749317971 0.2068 0.3375 3558221 ACon1_000646 C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c3ccoc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A07 compound treatment -0.0037 -0.00306 -0.09 0.67 -0.00373 -0.12 0.013400409626216 0.0141935483870968 0.430013128850629 0.1288 0.2831 3614399 ACon1_000647 COc1cc(O)cc2cc3C[C@](C)(O)CC(=O)c3c(O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A08 compound treatment 0.0223 0.0229 0.64 0.696 0.0223 0.72 0.025400409626216 0.0261935483870968 0.793569683242522 1.2463 0.9963 3559065 ACon1_000648 COc1cc2OC(C)(C)C=Cc2c3oc(cc(=O)c13)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A09 compound treatment 0.0653 0.0659 1.85 0.697 0.0233 0.76 0.00940040962621595 0.0101935483870968 0.308827610719996 1.6812 0.8323 3557259 ACon1_000649 COc1c(C)c(oc(=O)c1C)[C@@]2(C)O[C@H]2/C(=C\C(=C\[C@@]3(C)O[C@@H](C)[C@]4(C)OC43)\C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A10 compound treatment 0.0153 0.016 0.45 0.68 0.00627 0.2 0.0134004096262159 0.0141935483870967 0.430013128850626 0.6239 0.9556 3559150 ACon1_000650 COc1ccc(cc1O)c2coc3cc(O)ccc3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A11 compound treatment 0.0183 0.0189 0.53 0.69 0.0163 0.53 0.027400409626216 0.0281935483870968 0.854162442307838 1.1041 0.9723 3553959 ACon1_000651 CC1C2C(CC(C)(O)C3CC4OC4(C)C3(O)C2=O)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A12 compound treatment 0.0233 0.0239 0.67 0.688 0.0143 0.46 0.026400409626216 0.0271935483870968 0.82386606277518 1.13 0.9753 3614402 ACon1_000652 COc1ccc(cc1)C2Oc3cc(OC)ccc3CC2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A13 mock treatment 0.0133 0.0139 0.39 0.67 -0.00373 -0.12 0.00140040962621596 0.00219354838709678 0.0664565744587336 0.1941 0.4681 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A14 mock treatment 0.0123 0.0129 0.36 0.663 -0.0107 -0.35 -5.9959037378404E-4 1.93548387096784E-4 0.00586381539341794 0.0117 0.0233 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A15 compound treatment 0.0133 0.0139 0.39 0.679 0.00527 0.17 -0.00959959037378404 -0.00880645161290322 -0.266803600400502 0.1703 0.3385 3557496 ACon1_000653 CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@]2(O)C(=CC(=O)CC2(C)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A16 compound treatment 0.0023 0.00294 0.08 0.677 0.00327 0.11 0.00640040962621595 0.00719354838709677 0.217938472122022 0.2346 0.9166 3554158 ACon1_000654 CCC(C)C1NC(=O)c2c1n(C)c3ccccc3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A17 compound treatment 0.0063 0.00694 0.19 0.671 -0.00273 -0.09 -0.029599590373784 -0.0288064516129032 -0.872731191053658 -0.4427 -0.4927 3558190 ACon1_000655 C[C@H]1[C@@]2(O)[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@@]32C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@]71CCC(C)CO7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A18 compound treatment 0.0153 0.0159 0.45 0.672 -0.00173 -0.06 0.017400409626216 0.0181935483870968 0.55119864698126 0.5438 0.7639 3554284 ACon1_000656 CCCCCCC1OC(=O)CCCC(O)/C=C\C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A19 compound treatment 0.0103 0.0109 0.31 0.674 2.66E-4 0.01 0.012400409626216 0.0131935483870968 0.399716749317971 0.4129 0.8193 3551961 ACon1_000657 C/C(=C\C(=O)OC1C(=CC=C(C=O)C1(C)C)C)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A20 compound treatment -0.0067 -0.00606 -0.17 0.665 -0.00873 -0.28 0.00540040962621596 0.00619354838709678 0.187642092589365 -0.1534 -0.4036 3558454 ACon1_000658 CC1CCC23CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C13C(=CC2(C)C)C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A21 compound treatment 0.0073 0.00794 0.22 0.677 0.00327 0.11 -0.00259959037378406 -0.00180645161290324 -0.0547289436718983 0.1581 0.6261 3558413 ACon1_000659 C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A22 compound treatment 0.0153 0.0159 0.45 0.668 -0.00573 -0.19 -5.9959037378404E-4 1.93548387096784E-4 0.00586381539341794 0.1535 0.3175 3553177 ACon1_000660 CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(=C\[C@H]3OC(=O)C(=C)C31)/COC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A23 compound treatment 0.0133 0.014 0.39 0.67 -0.00373 -0.12 -0.012599590373784 -0.0118064516129032 -0.357692738998475 -0.0506 -0.0931 3558349 ACon1_000661 CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(=O)CC(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 A24 compound treatment -0.0487 -0.0481 -1.35 0.667 -0.00673 -0.22 -0.00659959037378405 -0.00580645161290323 -0.175914461802529 -1.006 -0.7307 3559855 ACon1_000662 CC/C=C\C=C\C(O)C/C=C\CCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B01 compound treatment 0.0113 0.012 0.34 0.677 0.00327 0.11 -0.0035995903737841 -0.00280645161290328 -0.0850253232045573 0.2056 0.5685 3558522 ACon1_000663 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3C[C@H](O)[C@@](C)(O)[C@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B02 compound treatment 0.0033 0.00394 0.11 0.669 -0.00473 -0.15 0.00840040962621595 0.00919354838709677 0.278531231187338 0.1359 0.4036 3558331 ACon1_000664 CC1OC(OC2C(O)C(O)COC2OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)O)C3(C)CO)C(O)C(OC8OCC(OC(=O)C)C(OC(=O)C)C8O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B03 compound treatment 0.0173 0.018 0.5 0.677 0.00327 0.11 0.019400409626216 0.0201935483870968 0.611791406046575 0.705 0.882 3558658 ACon1_000665 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@](C)(O)C(=O)[C@H]3O[C@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B04 compound treatment 0.0023 0.00292 0.08 0.667 -0.00673 -0.22 0.010400409626216 0.0111935483870968 0.339123990252655 0.1169 0.284 3557543 ACon1_000666 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(O)CC2(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B05 compound treatment 0.0123 0.013 0.36 0.659 -0.0147 -0.48 0.025400409626216 0.0261935483870968 0.793569683242522 0.3917 0.3937 3558677 ACon1_000667 C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]3(C)[C@H](CCC4=CCOC4=O)C(=C)CC[C@H]13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B06 compound treatment 0.0043 0.00495 0.14 0.668 -0.00573 -0.19 -0.00359959037378405 -0.00280645161290323 -0.0850253232045558 -0.0764 -0.3089 3559891 ACon1_000668 CC(CO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C3(O)COC(=O)C3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B07 compound treatment -0.0187 -0.0181 -0.51 0.657 -0.0167 -0.54 0.00540040962621595 0.00619354838709677 0.187642092589365 -0.498 -0.6498 3558735 ACon1_000669 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(=O)OC3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B08 compound treatment 0.0123 0.013 0.36 0.673 -7.34E-4 -0.02 0.00540040962621597 0.00619354838709679 0.187642092589365 0.3042 0.743 3557836 ACon1_000670 COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)O[C@@H](OCCc4ccc(O)c(O)c4)[C@H](O)[C@H]2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B09 compound treatment 0.0123 0.013 0.36 0.674 2.66E-4 0.01 0.00740040962621595 0.00819354838709677 0.24823485165468 0.3579 0.8136 3558686 ACon1_000671 COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)cc(OC)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B10 compound treatment 0.0133 0.014 0.39 0.677 0.00327 0.11 0.011400409626216 0.0121935483870968 0.369420369785313 0.5003 0.9124 1417265 ACon1_000672 OC1CCn2c1nc3ccccc3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B11 compound treatment 0.0023 0.00294 0.08 0.673 -7.34E-4 -0.02 0.0134004096262159 0.0141935483870967 0.430013128850626 0.2821 0.6434 3557345 ACon1_000673 CC(=O)c1c(O)cc(O)c(C(=O)C)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B12 compound treatment -0.0157 -0.0151 -0.42 0.617 -0.0567 -1.84 -0.0125995903737841 -0.0118064516129033 -0.357692738998478 -1.5138 -0.7873 3558110 ACon1_000674 COc1cc(/C=C/c2ccccc2)cc(O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B13 mock treatment 0.0123 0.0129 0.36 0.683 0.00927 0.3 0.014400409626216 0.0151935483870968 0.460309508383286 0.6489 0.985 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B14 mock treatment -0.0027 -0.00209 -0.06 0.666 -0.00773 -0.25 0.00840040962621597 0.00919354838709679 0.278531231187339 -0.0179 -0.0472 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B15 compound treatment -0.0177 -0.0171 -0.48 0.663 -0.0107 -0.35 0.00940040962621595 0.0101935483870968 0.308827610719996 -0.2994 -0.4482 3559744 ACon1_000675 CC(CCO)CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CCC[C@@]12C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B16 compound treatment -0.0017 -0.00109 -0.03 0.652 -0.0217 -0.71 -0.0125995903737841 -0.0118064516129033 -0.357692738998478 -0.6314 -0.7977 3553396 ACon1_000676 CC(=O)OCC1(C)CC2[C@]3(CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O)[C@@H](O)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B17 compound treatment 0.0053 0.00594 0.17 0.671 -0.00273 -0.09 0.011400409626216 0.0121935483870968 0.369420369785313 0.2582 0.6225 3489715 ACon1_000677 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC7OC(CO)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B18 compound treatment 0.0033 0.00395 0.11 0.665 -0.00873 -0.28 0.030400409626216 0.0311935483870968 0.945051580905811 0.4459 0.4491 3557359 ACon1_000678 CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n4c1nc5ccccc5c4=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B19 compound treatment 0.0083 0.00895 0.25 0.674 2.66E-4 0.01 0.00840040962621595 0.00919354838709677 0.278531231187338 0.3107 0.8284 3558569 ACon1_000679 CC1=C(CCC2=CC(O)OC2=O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B20 compound treatment 0.0143 0.015 0.42 0.677 0.00327 0.11 0.014400409626216 0.0151935483870968 0.460309508383286 0.569 0.9009 3557575 ACon1_000680 OCCc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B21 compound treatment 0.0173 0.018 0.5 0.68 0.00627 0.2 0.012400409626216 0.0131935483870968 0.399716749317971 0.6388 0.9475 3557374 ACon1_000681 C/C=C/C=C/C1C=CC2CC(C)CCC2C1(C)\C(=C/3\C(=O)NC(C(C)O)C3=O)\O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B22 compound treatment 0.0043 0.00492 0.14 0.666 -0.00773 -0.25 0.00540040962621595 0.00619354838709677 0.187642092589365 0.0431 0.1258 3558646 ACon1_000682 CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B23 compound treatment -0.0047 -0.00408 -0.11 0.652 -0.0217 -0.71 0.014400409626216 0.0151935483870968 0.460309508383286 -0.2075 -0.2441 3558270 ACon1_000683 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 B24 compound treatment 0.0073 0.00795 0.22 0.667 -0.00673 -0.22 0.020400409626216 0.0211935483870968 0.642087785579233 0.3732 0.5228 3558889 ACon1_000684 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1OC8OC(CO)C(O)C(O)C8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C01 compound treatment 0.0143 0.0149 0.42 0.681 0.00727 0.24 0.011400409626216 0.0121935483870968 0.369420369785313 0.5913 0.9753 3558360 ACon1_000685 COC(=O)[C@]1(C)CC[C@H](OC(=O)C)[C@@]2(C)C1C[C@@H](OC(=O)C)C3=C2CC[C@](C)(C=C)[C@@H]3OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C02 compound treatment 0.0113 0.012 0.34 0.677 0.00327 0.11 0.021400409626216 0.0221935483870968 0.672384165111891 0.6429 0.8473 3558319 ACon1_000686 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C03 compound treatment 0.0213 0.022 0.62 0.687 0.0133 0.43 0.0174004096262159 0.0181935483870967 0.551198646981257 0.9221 0.9898 3558457 ACon1_000687 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C04 compound treatment 0.0073 0.00795 0.22 0.673 -7.34E-4 -0.02 0.022400409626216 0.0231935483870968 0.702680544644549 0.5207 0.7059 3553465 ACon1_000688 CC(C)(O)[C@@H]1CC[C@]2(CO)[C@@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C05 compound treatment 0.0083 0.00895 0.25 0.679 0.00527 0.17 0.032400409626216 0.0331935483870968 1.00564433997113 0.8242 0.7846 3558579 ACon1_000689 COc1cc2OC(CC(=O)c2c(O)c1OC)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C06 compound treatment 0.0223 0.023 0.64 0.688 0.0143 0.46 0.015400409626216 0.0161935483870968 0.490605887915944 0.9221 0.9891 3554662 ACon1_000690 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C07 compound treatment 0.0223 0.023 0.64 0.689 0.0153 0.5 0.011400409626216 0.0121935483870968 0.369420369785313 0.8709 0.9761 3558617 ACon1_000691 COC(=O)C1=COC(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCCc4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C08 compound treatment 0.0283 0.0289 0.81 0.693 0.0193 0.63 0.019400409626216 0.0201935483870968 0.611791406046575 1.1824 0.9913 3559200 ACon1_000692 COc1cc2occ(c3ccc4OCOc4c3)c(=O)c2c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C09 compound treatment 0.0123 0.0129 0.36 0.682 0.00827 0.27 0.014400409626216 0.0151935483870968 0.460309508383286 0.6301 0.9776 3554819 ACon1_000693 COc1cc(=O)oc(/C(=C/C(=C/C(=C/C2(C)OC(C)C3(C)OC32)/C)/C)/C)c1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C10 compound treatment 0.0213 0.022 0.62 0.69 0.0163 0.53 0.0114004096262159 0.0121935483870967 0.36942036978531 0.8734 0.9802 3558246 ACon1_000694 CC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C11 mock treatment 0.0093 0.00995 0.28 0.68 0.00627 0.2 0.0114004096262159 0.0121935483870967 0.36942036978531 0.4918 0.9726 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C12 mock treatment 0.0143 0.015 0.42 0.681 0.00727 0.24 0.0134004096262159 0.0141935483870967 0.430013128850626 0.6264 0.971 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C13 compound treatment 0.0173 0.0179 0.5 0.69 0.0163 0.53 0.010400409626216 0.0111935483870968 0.339123990252655 0.7905 0.9836 3558047 ACon1_000695 COc1cc(CCO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C14 compound treatment 0.0103 0.0109 0.31 0.676 0.00227 0.07 0.00740040962621594 0.00819354838709676 0.24823485165468 0.3629 0.904 3614417 ACon1_000696 COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)c2c(O)c3c(=O)oc(C)cc3cc2OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C15 mock treatment 0.0133 0.014 0.39 0.681 0.00727 0.24 0.00340040962621594 0.00419354838709676 0.127049333524049 0.4354 0.9182 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C16 mock treatment 0.0093 0.00994 0.28 0.679 0.00527 0.17 0.0154004096262159 0.0161935483870967 0.490605887915941 0.5428 0.9207 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C17 compound treatment 0.0153 0.0159 0.45 0.681 0.00727 0.24 0.010400409626216 0.0111935483870968 0.339123990252655 0.59 0.9694 3558236 ACon1_000697 CC(C)C1(CC12)C(=O)CC2(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C18 compound treatment 0.0073 0.00794 0.22 0.675 0.00127 0.04 0.011400409626216 0.0121935483870968 0.369420369785313 0.3656 0.8437 3557265 ACon1_000698 CC(=CCC/C(=C/CC/C(=C/Cc1c(C)cc(O)cc1O)/C)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C19 compound treatment 0.0243 0.0249 0.7 0.691 0.0173 0.56 0.015400409626216 0.0161935483870968 0.490605887915944 1.0102 0.9892 3558297 ACon1_000699 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C20 compound treatment 0.0133 0.0139 0.39 0.68 0.00627 0.2 0.013400409626216 0.0141935483870968 0.430013128850629 0.5914 0.9605 3558260 ACon1_000700 CC(C)C(O)(C(C)O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C21 compound treatment 0.0133 0.0139 0.39 0.678 0.00427 0.14 0.00740040962621595 0.00819354838709677 0.24823485165468 0.4489 0.9289 3558324 ACon1_000701 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C22 compound treatment 0.0073 0.00794 0.22 0.671 -0.00273 -0.09 -0.00359959037378405 -0.00280645161290323 -0.0850253232045558 0.0282 0.1111 3558258 ACon1_000702 C[C@H](O)C1=CC2(CC[C@H]3[C@@H]2[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C23 compound treatment -0.0037 -0.00308 -0.09 0.666 -0.00773 -0.25 0.00940040962621595 0.0101935483870968 0.308827610719996 -0.0164 -0.0404 3555893 ACon1_000703 OC[C@H]1O[C@@H](Oc2cc(C(=O)O)c(O)c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 C24 compound treatment 0.0153 0.016 0.45 0.68 0.00627 0.2 0.011400409626216 0.0121935483870968 0.369420369785313 0.5889 0.958 3557293 ACon1_000704 COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D01 compound treatment 0.0073 0.00794 0.22 0.676 0.00227 0.07 0.00240040962621596 0.00319354838709678 0.0967529539913914 0.2269 0.8944 3557722 ACon1_000705 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D02 compound treatment 0.0073 0.00795 0.22 0.659 -0.0147 -0.48 0.00740040962621595 0.00819354838709677 0.24823485165468 -0.0041 -0.0069 3553508 ACon1_000706 CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)/C=C/[C@@](C)(O)C(=O)[C@@]2(O)[C@H](OC(=O)C)[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]2[C@H]3OC(=O)CC[C@]31OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D03 compound treatment 3.0E-4 9.42E-4 0.03 0.675 0.00127 0.04 -0.0015995903737841 -8.06451612903276E-4 -0.0244325641392417 0.0249 0.4552 3558643 ACon1_000707 COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c4c(cc(=O)oc4c1)c5ccc(O)c(O)c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D04 compound treatment 0.0203 0.021 0.59 0.689 0.0153 0.5 -0.0035995903737841 -0.00280645161290328 -0.0850253232045573 0.5761 0.7451 1279467 ACon1_000708 COC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D05 compound treatment 0.0043 0.00494 0.14 0.687 0.0133 0.43 0.010400409626216 0.0111935483870968 0.339123990252655 0.5244 0.9276 3614423 ACon1_000709 COC(=O)C1=CC=CC(CC(O)C(=O)O)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D06 compound treatment 0.0073 0.00795 0.22 0.674 2.66E-4 0.01 -0.00359959037378404 -0.00280645161290322 -0.0850253232045555 0.0846 0.3543 3558535 ACon1_000710 C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D07 compound treatment 0.0183 0.019 0.53 0.676 0.00227 0.07 0.021400409626216 0.0221935483870968 0.672384165111891 0.7374 0.8573 3614426 ACon1_000711 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C5OC5C(=O)C4(C)C3C2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D08 compound treatment 0.0173 0.0179 0.5 0.683 0.00927 0.3 0.00840040962621597 0.00919354838709679 0.278531231187339 0.6249 0.963 3554252 ACon1_000712 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D09 compound treatment -0.0047 -0.00409 -0.11 0.67 -0.00373 -0.12 0.0134004096262159 0.0141935483870967 0.430013128850626 0.1121 0.2431 3558720 ACon1_000713 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D10 compound treatment -0.0037 -0.00308 -0.09 0.666 -0.00773 -0.25 -0.0065995903737841 -0.00580645161290328 -0.175914461802531 -0.2963 -0.9305 3554771 ACon1_000714 COc1c(O)ccc2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(C)cc(O)c4C(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D11 mock treatment 0.0073 0.00794 0.22 0.69 0.0163 0.53 0.027400409626216 0.0281935483870968 0.854162442307838 0.9265 0.9008 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D12 mock treatment 0.0143 0.015 0.42 0.656 -0.0177 -0.58 0.00340040962621596 0.00419354838709678 0.127049333524049 -0.0169 -0.0234 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D13 compound treatment 0.0103 0.0109 0.31 0.68 0.00627 0.2 0.023400409626216 0.0241935483870968 0.732976924177207 0.7177 0.875 3614428 ACon1_000715 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D14 compound treatment 0.0173 0.0179 0.5 0.701 0.0273 0.88 0.0194004096262159 0.0201935483870967 0.611791406046572 1.1541 0.9721 3553648 ACon1_000716 CC(C)CC1NC(=O)C2CCCN2C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D15 mock treatment 0.0023 0.00295 0.08 0.675 0.00127 0.04 -0.00959959037378405 -0.00880645161290323 -0.266803600400503 -0.0825 -0.2923 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D16 mock treatment 0.0153 0.0159 0.45 0.682 0.00827 0.27 0.00640040962621596 0.00719354838709678 0.217938472122023 0.5388 0.9535 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D17 compound treatment 0.0133 0.0139 0.39 0.686 0.0123 0.4 0.00540040962621595 0.00619354838709677 0.187642092589365 0.5634 0.958 3558202 ACon1_000717 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)C)[C@H]1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D18 compound treatment 0.0163 0.017 0.48 0.686 0.0123 0.4 0.014400409626216 0.0151935483870968 0.460309508383286 0.77 0.9972 3558526 ACon1_000718 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D19 compound treatment 0.0173 0.018 0.5 0.689 0.0153 0.5 0.0174004096262159 0.0181935483870967 0.551198646981257 0.8949 0.9989 3614429 ACon1_000719 COc1cccc2oc3OC=C(CO)C=C(C(=O)O)c3c(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D20 compound treatment 0.0053 0.00595 0.17 0.68 0.00627 0.2 0.014400409626216 0.0151935483870968 0.460309508383286 0.4795 0.9044 3558603 ACon1_000720 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D21 compound treatment 0.0173 0.018 0.5 0.683 0.00927 0.3 -0.0025995903737841 -0.00180645161290328 -0.0547289436718995 0.4326 0.7347 3614430 ACon1_000721 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCC4=CC(=O)OC4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D22 compound treatment 0.0103 0.011 0.31 0.673 -7.34E-4 -0.02 0.020400409626216 0.0211935483870968 0.642087785579233 0.5342 0.7502 3558751 ACon1_000722 COc1ccc(cc1OC)[C@@H]2O[C@H]([C@@H](C)[C@@H]2C)c3ccc(OC)c(OC)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D23 compound treatment 0.0183 0.019 0.53 0.664 -0.00973 -0.32 0.00640040962621595 0.00719354838709677 0.217938472122022 0.2502 0.3817 3554692 ACon1_000723 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](OC(=O)CC5\C(=C\C)\C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC)[C@@H](O)[C@@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 D24 compound treatment 0.0243 0.0249 0.7 0.69 0.0163 0.53 0.018400409626216 0.0191935483870968 0.581495026513918 1.0438 0.9931 3554061 ACon1_000724 CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E01 mock treatment 0.0063 0.00691 0.19 0.684 0.0103 0.33 0.029400409626216 0.0301935483870968 0.914755201373154 0.8324 0.8385 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E02 mock treatment 0.0153 0.0159 0.45 0.69 0.0163 0.53 0.018400409626216 0.0191935483870968 0.581495026513918 0.8986 0.9944 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E03 compound treatment 0.0193 0.0199 0.56 0.683 0.00927 0.3 0.004400409626216 0.00519354838709682 0.157345713056708 0.5868 0.8981 3558404 ACon1_000725 CC(C)c1ccc2c(CCC3[C@@](C)(CCC[C@@]32C)C(=O)O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E04 compound treatment 0.0083 0.00894 0.25 0.686 0.0123 0.4 0.001400409626216 0.00219354838709682 0.0664565744587348 0.4129 0.8691 3558499 ACon1_000726 OCC1OC(Oc2ccc(/C=C/C(=O)OC3COC(OCC4OC(OC(C#N)c5ccccc5)C(O)C(O)C4O)C(O)C3O)cc2)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E05 compound treatment -0.0077 -0.00708 -0.2 0.659 -0.0147 -0.48 -0.006599590373784 -0.00580645161290318 -0.175914461802528 -0.4922 -0.9002 3558134 ACon1_000727 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E06 compound treatment 0.0153 0.0159 0.45 0.673 -7.34E-4 -0.02 0.017400409626216 0.0181935483870968 0.55119864698126 0.562 0.7921 2082654 ACon1_000728 COc1ccc(cc1OC)c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E07 compound treatment -0.0027 -0.00208 -0.06 0.683 0.00927 0.3 0.019400409626216 0.0201935483870968 0.611791406046575 0.4932 0.7208 3557964 ACon1_000729 CC(=O)OC1C(O)C(O)C(CO)OC1Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E08 compound treatment -0.0467 -0.0461 -1.29 0.672 -0.00173 -0.06 0.012400409626216 0.0131935483870968 0.399716749317971 -0.5476 -0.4046 3614436 ACon1_000730 COc1ccc(cc1)c2coc3c(CC=C(C)C)c(O)c(OC)cc3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E09 mock treatment -0.0447 -0.0441 -1.24 0.656 -0.0177 -0.58 0.021400409626216 0.0221935483870968 0.672384165111891 -0.6576 -0.4326 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E10 mock treatment -0.0227 -0.0221 -0.62 0.684 0.0103 0.33 -0.029599590373784 -0.0288064516129032 -0.872731191053658 -0.6689 -0.5969 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E11 compound treatment -0.0837 -0.0831 -2.33 0.629 -0.0447 -1.45 -0.0705995903737841 -0.0698064516129033 -2.11488275189263 -3.404 -0.9824 1102884 ACon1_000731 Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E12 compound treatment 0.0013 0.00194 0.05 0.678 0.00427 0.14 0.00740040962621601 0.00819354838709683 0.248234851654682 0.2547 0.8801 3614439 ACon1_000732 Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)c(C)c3Oc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E13 compound treatment -0.0287 -0.0281 -0.79 0.687 0.0133 0.43 0.027400409626216 0.0281935483870968 0.854162442307838 0.2872 0.2318 3558045 ACon1_000733 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccccc2)[C@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E14 compound treatment -0.0507 -0.05 -1.4 0.653 -0.0207 -0.67 0.010400409626216 0.0111935483870968 0.339123990252655 -1.0029 -0.6296 3557896 ACon1_000734 CC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(coc4c3)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1OC6OC(CO)C(O)C(O)C6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E15 compound treatment 0.0173 0.0179 0.5 0.664 -0.00973 -0.32 0.036400409626216 0.0371935483870968 1.12682985810176 0.7581 0.5953 3555889 ACon1_000735 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C/C(=C\CC2)/C=O)[C@H](OC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E16 compound treatment -0.0017 -0.00106 -0.03 0.682 0.00827 0.27 -0.00559959037378404 -0.00480645161290322 -0.145618082269871 0.0537 0.175 3557786 ACon1_000736 CC1(C)[C@@H](O)C(=O)C[C@@]2(C)C1CC[C@@]3(C)O[C@](C)(CCC32)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E17 mock treatment -0.0347 -0.0341 -0.96 0.687 0.0133 0.43 -0.0425995903737841 -0.0418064516129033 -1.26658412497821 -1.0343 -0.6292 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E18 mock treatment -0.0027 -0.00205 -0.06 0.674 2.66E-4 0.01 -0.038599590373784 -0.0378064516129032 -1.14539860684758 -0.6895 -0.6012 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E19 compound treatment -0.0217 -0.0211 -0.59 0.665 -0.00873 -0.28 -0.026599590373784 -0.0258064516129032 -0.781842052455684 -0.9563 -0.9373 3558389 ACon1_000737 CC(C)C1CC=C(C)C(O)CCC(=C)CC1OC2OC(COC(=O)C)C(O)C(O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E20 compound treatment -0.0247 -0.0241 -0.68 0.662 -0.0117 -0.38 0.00640040962621597 0.00719354838709679 0.217938472122023 -0.4838 -0.6009 3558256 ACon1_000738 OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E21 compound treatment -0.0057 -0.00508 -0.14 0.689 0.0153 0.5 -0.049599590373784 -0.0488064516129032 -1.47865878170681 -0.6499 -0.415 3558369 ACon1_000739 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E22 compound treatment 0.0123 0.013 0.36 0.646 -0.0277 -0.9 0.013400409626216 0.0141935483870968 0.430013128850629 -0.0617 -0.0582 3558332 ACon1_000740 Oc1ccc(cc1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E23 compound treatment 0.0163 0.017 0.48 0.681 0.00727 0.24 -0.0255995903737841 -0.0248064516129033 -0.751545672923029 -0.0234 -0.0254 3558345 ACon1_000741 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)C)[C@@H]2OC(=O)C)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 E24 compound treatment 0.0023 0.00294 0.08 0.623 -0.0507 -1.65 0.013400409626216 0.0141935483870968 0.430013128850629 -0.6548 -0.3843 3557578 ACon1_000742 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F01 mock treatment 0.0023 0.00294 0.08 0.656 -0.0177 -0.58 -0.364599590373784 -0.363806451612903 -11.022018334494 -6.6482 -0.6023 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F02 mock treatment -0.0877 -0.0871 -2.44 0.636 -0.0377 -1.22 -0.0645995903737841 -0.0638064516129033 -1.93310447469668 -3.2327 -0.9661 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F03 compound treatment -0.0757 -0.075 -2.1 0.667 -0.00673 -0.22 -0.00559959037378405 -0.00480645161290323 -0.145618082269871 -1.4251 -0.6721 3558651 ACon1_000743 C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F04 compound treatment -0.0467 -0.0461 -1.29 0.639 -0.0347 -1.13 0.00340040962621595 0.00419354838709677 0.127049333524049 -1.3234 -0.7697 3614448 ACon1_000744 COC(CC(OC)c1c(O)cc2cc(C)oc(=O)c2c1O)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F05 compound treatment -0.0027 -0.00206 -0.06 0.631 -0.0427 -1.39 -0.201599590373784 -0.200806451612903 -6.0837084706708 -4.3465 -0.6965 3552924 ACon1_000745 C[C@H](CCC(=C)[C@@H](C)C(=O)O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)C4CC3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F06 compound treatment -0.0317 -0.0311 -0.87 0.571 -0.103 -3.33 0.027400409626216 0.0281935483870968 0.854162442307838 -1.9349 -0.545 3554676 ACon1_000746 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(OC(=O)C[C@H]4\C(=C/C)\[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(=O)OC)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F07 compound treatment -0.0767 -0.076 -2.13 0.666 -0.00773 -0.25 0.007400409626216 0.00819354838709682 0.248234851654682 -1.2326 -0.5703 3554523 ACon1_000747 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)\C(=C/C)\C)C1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F08 compound treatment 0.0233 0.0239 0.67 0.583 -0.0907 -2.94 -0.054599590373784 -0.0538064516129032 -1.6301406793701 -2.2542 -0.6568 3558636 ACon1_000748 CC(O)CCC1=CC[C@H]2OC(=O)C(=C)[C@@H]2CC1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F09 mock treatment -0.0477 -0.0471 -1.32 0.69 0.0163 0.53 -0.0405995903737841 -0.0398064516129033 -1.2059913659129 -1.1536 -0.6188 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F10 mock treatment -0.0497 -0.049 -1.38 0.671 -0.00273 -0.09 -0.177599590373784 -0.176806451612903 -5.35659536188702 -3.9378 -0.712 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F11 compound treatment -7.0E-4 -5.68E-5 0.0 0.654 -0.0197 -0.64 -0.116599590373784 -0.115806451612903 -3.50851621039489 -2.3963 -0.6719 3558527 ACon1_000749 COc1ccc2ccc(=O)oc2c1C(OC(=O)C)C(=O)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F12 compound treatment -0.0827 -0.082 -2.3 0.589 -0.0847 -2.75 0.011400409626216 0.0121935483870968 0.369420369785313 -2.7026 -0.7498 3558182 ACon1_000750 C/C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]6O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@]43C)C2CC1(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F13 compound treatment -0.129 -0.128 -3.6 0.631 -0.0427 -1.39 0.020400409626216 0.0211935483870968 0.642087785579233 -2.5076 -0.6414 3559736 ACon1_000751 CC(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]3[C@@H](OC(=O)C=C(C)C)[C@H](O)C[C@H](C)[C@@]13C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F14 compound treatment 0.0123 0.0129 0.36 0.685 0.0113 0.37 0.00640040962621596 0.00719354838709678 0.217938472122023 0.5459 0.977 3553501 ACon1_000752 CC(C)[C@]1(O)CC2=CC[C@H](OC1=O)/C(=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](C2)OC(=O)/C(=C/CO)/CO)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F15 compound treatment 0.0313 0.0319 0.89 0.689 0.0153 0.5 0.010400409626216 0.0111935483870968 0.339123990252655 0.9986 0.9265 3559723 ACon1_000753 C/C(=C\CO)/C(=O)O[C@@H]1C\C(=C\CC[C@@]2(CO)OC2[C@H]3OC(=O)C(=C)C31)\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F16 compound treatment -0.0107 -0.0101 -0.28 0.653 -0.0207 -0.67 0.022400409626216 0.0231935483870968 0.702680544644549 -0.146 -0.1441 3558093 ACon1_000754 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F17 mock treatment -0.134 -0.133 -3.74 0.678 0.00427 0.14 -0.031599590373784 -0.0308064516129032 -0.933323950118973 -2.6179 -0.6788 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F18 mock treatment -0.157 -0.156 -4.38 0.698 0.0243 0.79 0.013400409626216 0.0141935483870968 0.430013128850629 -1.8284 -0.4086 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F19 compound treatment -0.0607 -0.0601 -1.68 0.653 -0.0207 -0.67 -0.070599590373784 -0.0698064516129032 -2.11488275189263 -2.582 -0.9267 3554275 ACon1_000755 CCCCCC1=C(O)/C(=C/C(=O)O)/OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F20 compound treatment -0.0327 -0.032 -0.9 0.687 0.0133 0.43 -0.034599590373784 -0.0338064516129032 -1.02421308871695 -0.8615 -0.6029 3558634 ACon1_000756 CCC(C)(O)CC(=O)O[C@H]/1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3O[C@]3(C)CC\C=C1/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F21 compound treatment -0.127 -0.126 -3.54 0.615 -0.0587 -1.91 -0.054599590373784 -0.0538064516129032 -1.6301406793701 -4.0869 -0.9416 3614460 ACon1_000757 CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)C2=CN1CCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F22 compound treatment -0.109 -0.108 -3.04 0.599 -0.0747 -2.43 0.018400409626216 0.0191935483870968 0.581495026513918 -2.8185 -0.7171 3555003 ACon1_000758 COc1cc(oc(=O)c1)c2c(C)cc(O)cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F23 compound treatment -7.0E-4 -7.81E-5 0.0 0.666 -0.00773 -0.25 0.016400409626216 0.0171935483870968 0.520902267448602 0.1546 0.2673 3557852 ACon1_000759 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 F24 compound treatment 0.0313 0.0319 0.89 0.682 0.00827 0.27 0.0134004096262159 0.0141935483870967 0.430013128850626 0.9199 0.8943 3558059 ACon1_000760 COc1ccc(cc1)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](OC5OCC(O)(CO)C5O)[C@H](O)[C@H]4O)cc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G01 compound treatment -0.0037 -0.00306 -0.09 0.672 -0.00173 -0.06 0.021400409626216 0.0221935483870968 0.672384165111891 0.3062 0.4502 3558424 ACon1_000761 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC5OCC(O)C(O)C5O)c3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G02 compound treatment 0.0163 0.017 0.48 0.683 0.00927 0.3 0.00540040962621595 0.00619354838709677 0.187642092589365 0.5564 0.9384 3558440 ACon1_000762 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H](C(=C)CO)[C@@](C)(C[C@@H]2O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G03 mock treatment 0.0193 0.02 0.56 0.685 0.0113 0.37 0.00540040962621594 0.00619354838709676 0.187642092589364 0.6424 0.9255 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G04 mock treatment 0.0213 0.022 0.62 0.69 0.0163 0.53 0.016400409626216 0.0171935483870968 0.520902267448602 0.9609 0.997 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G05 compound treatment 0.0353 0.0359 1.01 0.704 0.0303 0.98 0.024400409626216 0.0251935483870968 0.763273303709865 1.5893 0.9929 3552674 ACon1_000763 C[C@@H]1CC(=O)[C@]2(COC(=O)C)[C@H](CC[C@H](O)[C@@]32CO3)[C@]41C[C@H](OC4=O)c5ccoc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G06 compound treatment 0.0323 0.0329 0.92 0.701 0.0273 0.88 0.019400409626216 0.0201935483870968 0.611791406046575 1.397 0.9856 3557361 ACon1_000764 COc1cc(OC)c2c(=O)oc(CC(O)CC(=O)C)cc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G07 compound treatment 0.0343 0.0349 0.98 0.701 0.0273 0.88 0.032400409626216 0.0331935483870968 1.00564433997113 1.6568 0.9985 1080935 ACon1_000765 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G08 compound treatment 0.0223 0.0229 0.64 0.689 0.0153 0.5 0.027400409626216 0.0281935483870968 0.854162442307838 1.1502 0.9763 3614466 ACon1_000766 COc1cc(O)c-2c(CCc3cc(OC)c(OC)cc32)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G09 compound treatment 0.0343 0.0349 0.98 0.704 0.0303 0.98 0.026400409626216 0.0271935483870968 0.82386606277518 1.6081 0.9968 3557989 ACon1_000767 CC(C)(O)C1Oc2cc3occ(c4ccc(O)cc4)c(=O)c3c(O)c2C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G10 compound treatment 0.0243 0.025 0.7 0.691 0.0173 0.56 0.00840040962621595 0.00919354838709677 0.278531231187338 0.8882 0.9463 3559169 ACon1_000768 COc1ccc(cc1)C(O)CNC(=O)/C=C/c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G11 compound treatment 0.0223 0.023 0.64 0.69 0.0163 0.53 0.026400409626216 0.0271935483870968 0.82386606277518 1.152 0.9836 3558069 ACon1_000769 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3CCC(CO)[C@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G12 compound treatment 0.0323 0.0329 0.92 0.694 0.0203 0.66 0.029400409626216 0.0301935483870968 0.914755201373154 1.4408 0.9892 3555309 ACon1_000770 COc1cccc2C(=O)OC(c21)c3ccc4C(O)C(C)CC(=O)c4c3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G13 compound treatment 0.0263 0.0269 0.75 0.692 0.0183 0.59 0.023400409626216 0.0241935483870968 0.732976924177207 1.2012 0.9947 3558151 ACon1_000771 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C/C(=C\CC2)/C=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G14 compound treatment 0.0233 0.0239 0.67 0.691 0.0173 0.56 0.023400409626216 0.0241935483870968 0.732976924177207 1.1339 0.9941 3557929 ACon1_000772 C[C@@]12C[C@@H](O)[C@@H]3C[C@@]2(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3(COC(=O)c5ccccc5)C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G15 compound treatment 0.0363 0.0369 1.04 0.704 0.0303 0.98 0.030400409626216 0.0311935483870968 0.945051580905811 1.7104 0.9993 3558123 ACon1_000773 COc1ccc(/C=C/C(=O)O[C@]2(C)CCC3[C@@H]2[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G16 compound treatment 0.0103 0.011 0.31 0.681 0.00727 0.24 0.0124004096262159 0.0131935483870967 0.399716749317968 0.5442 0.9779 3557915 ACon1_000774 COc1c(OC2OC(CO)C(O)C(O)C2O)ccc(O)c1C(=O)OCc3ccccc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G17 compound treatment 0.0303 0.0309 0.87 0.699 0.0253 0.82 0.030400409626216 0.0311935483870968 0.945051580905811 1.5194 0.9983 3614471 ACon1_000775 COc1cc(/C=C/C(=O)NCC(O)c2ccc(O)cc2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G18 compound treatment 0.0233 0.024 0.67 0.693 0.0193 0.63 0.024400409626216 0.0251935483870968 0.763273303709865 1.1894 0.9965 3558265 ACon1_000776 COc1ccc(cc1)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G19 mock treatment 0.0173 0.018 0.5 0.684 0.0103 0.33 0.029400409626216 0.0301935483870968 0.914755201373154 1.0111 0.9226 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G20 mock treatment 0.0183 0.019 0.53 0.689 0.0153 0.5 0.00240040962621594 0.00319354838709676 0.0967529539913908 0.6487 0.8851 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G21 compound treatment 0.0363 0.0369 1.04 0.69 0.0163 0.53 0.022400409626216 0.0231935483870968 0.702680544644549 1.3081 0.9633 3558300 ACon1_000777 CC(CO)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CCC(=O)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G22 compound treatment 0.0083 0.00894 0.25 0.686 0.0123 0.4 0.0144004096262159 0.0151935483870967 0.460309508383283 0.6403 0.9729 1047948 ACon1_000778 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(OC)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G23 compound treatment 0.0253 0.0259 0.73 0.692 0.0183 0.59 0.019400409626216 0.0201935483870968 0.611791406046575 1.1151 0.9958 3558322 ACon1_000779 CC(C)c1cc2C(O)C[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 G24 compound treatment 0.0133 0.014 0.39 0.681 0.00727 0.24 -0.00259959037378406 -0.00180645161290324 -0.0547289436718983 0.3304 0.7182 3558519 ACon1_000780 OCC1C(O)CC2C1C(=O)OCC2=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H01 compound treatment 0.0093 0.00994 0.28 0.678 0.00427 0.14 0.0134004096262159 0.0141935483870967 0.430013128850626 0.4891 0.9215 3614474 ACon1_000781 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C5(O)C(C)(CCC(=O)OC5(C)C)C4Cc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H02 compound treatment 0.0283 0.0289 0.81 0.697 0.0233 0.76 0.0024004096262159 0.00319354838709672 0.0967529539913896 0.96 0.8631 3558708 ACon1_000782 C[C@@H]/1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@](C)(O)C(=O)/C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H03 mock treatment 0.0113 0.012 0.34 0.678 0.00427 0.14 0.0164004096262159 0.0171935483870967 0.520902267448599 0.5741 0.9046 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H04 mock treatment 0.0203 0.021 0.59 0.685 0.0113 0.37 0.0174004096262159 0.0181935483870967 0.551198646981257 0.8685 0.9817 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H05 compound treatment 0.0253 0.0259 0.73 0.697 0.0233 0.76 0.022400409626216 0.0231935483870968 0.702680544644549 1.2612 0.9996 3552202 ACon1_000783 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)C3=CCOC3=O)C(=C)CC[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H06 compound treatment 0.0193 0.02 0.56 0.688 0.0143 0.46 0.026400409626216 0.0271935483870968 0.82386606277518 1.0659 0.9706 3558285 ACon1_000784 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]%101CCC(C)CO%10 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H07 compound treatment 0.0363 0.0369 1.03 0.709 0.0353 1.14 0.025400409626216 0.0261935483870968 0.793569683242522 1.7165 0.9892 3558479 ACon1_000785 C[C@@]1(CCC2=C(C1)C(=O)CC3[C@@](C)(CCC[C@@]32C)C(=O)O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H08 compound treatment 0.0093 0.00994 0.28 0.677 0.00327 0.11 4.0040962621594E-4 0.00119354838709676 0.0361601949260751 0.243 0.8089 3553528 ACon1_000786 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(CO)C(C1)OC(=O)C(C)C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H09 compound treatment 0.0123 0.013 0.36 0.68 0.00627 0.2 0.019400409626216 0.0201935483870968 0.611791406046575 0.6803 0.9194 3558737 ACon1_000787 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H10 compound treatment 0.0383 0.0389 1.09 0.706 0.0323 1.05 0.021400409626216 0.0221935483870968 0.672384165111891 1.6228 0.9805 3559235 ACon1_000788 CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC9OCC(O)(COC%10OCC(O)C(OC%11OCC(OC%12OCC(O)(CO)C%12O)C(O)C%11O)C%10O)C9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H11 compound treatment 0.0053 0.00594 0.17 0.675 0.00127 0.04 0.00640040962621594 0.00719354838709676 0.217938472122022 0.2457 0.8859 3557942 ACon1_000789 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H12 compound treatment 0.0193 0.02 0.56 0.686 0.0123 0.4 0.011400409626216 0.0121935483870968 0.369420369785313 0.7661 0.9826 3552656 ACon1_000790 C[C@@H]1C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)c3ccccc3)[C@@H]4[C@@H](OC(=O)C)[C@]12OC4(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H13 compound treatment 0.0153 0.0159 0.45 0.686 0.0123 0.4 0.028400409626216 0.0291935483870968 0.884458821840496 0.9985 0.935 1712662 ACon1_000791 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H14 compound treatment 0.0293 0.0299 0.84 0.698 0.0243 0.79 0.024400409626216 0.0251935483870968 0.763273303709865 1.3797 0.9992 3557252 ACon1_000792 CC1CCC2C(C)(C)[C@@H](O)CC[C@]2(C)C31Cc4c(O3)c5CN(C(CCC(=O)O)C(=O)O)C(=O)c5cc4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H15 compound treatment 0.0233 0.0239 0.67 0.695 0.0213 0.69 0.022400409626216 0.0231935483870968 0.702680544644549 1.1914 0.9998 3559760 ACon1_000793 COc1cc(OC)c2c(=O)c(OC)c(oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H16 compound treatment 0.0173 0.0179 0.5 0.689 0.0153 0.5 0.020400409626216 0.0211935483870968 0.642087785579233 0.9472 0.9925 3558095 ACon1_000794 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](OC(=O)C)[C@@H](OC(=O)/C(=C/C)/C)[C@]5(C)[C@H](CC[C@]5(O)[C@]4(O)CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H17 compound treatment 0.0153 0.016 0.45 0.688 0.0143 0.46 0.027400409626216 0.0281935483870968 0.854162442307838 1.0187 0.9524 3557608 ACon1_000795 COC(=O)C1=CCC[C@@H]2[C@@]3(CC(OC3=O)c4ccoc4)[C@H](C)CC[C@]21C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H18 compound treatment 0.0133 0.0139 0.39 0.686 0.0123 0.4 0.014400409626216 0.0151935483870968 0.460309508383286 0.7213 0.9972 3558016 ACon1_000796 COc1c(oc2c(OC)c(O)cc(O)c2c1=O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H19 mock treatment 0.0213 0.0219 0.61 0.69 0.0163 0.53 0.021400409626216 0.0221935483870968 0.672384165111891 1.0478 0.9952 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H20 mock treatment 0.0153 0.016 0.45 0.676 0.00227 0.07 0.016400409626216 0.0171935483870968 0.520902267448602 0.6014 0.871 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H21 compound treatment 0.0133 0.014 0.39 0.685 0.0113 0.37 0.0174004096262159 0.0181935483870967 0.551198646981257 0.7552 0.9827 3558356 ACon1_000797 CCC1C2O[C@H]3OC=C([C@H]4C=C[C@]2(OC1=O)[C@@H]34)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H22 compound treatment 0.0183 0.019 0.53 0.675 0.00127 0.04 0.020400409626216 0.0211935483870968 0.642087785579233 0.7012 0.8403 3558238 ACon1_000798 CC(O)(C=C)C(O)CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H23 compound treatment 0.0373 0.0379 1.06 0.705 0.0313 1.01 0.0214004096262159 0.0221935483870967 0.672384165111888 1.5879 0.9825 3553600 ACon1_000799 CC(C)C1NC(=O)/C(=C/c2nc[nH]c2C(C)(C)C=C)/NC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 H24 compound treatment 0.0183 0.019 0.53 0.684 0.0103 0.33 0.023400409626216 0.0241935483870968 0.732976924177207 0.9223 0.9561 3558108 ACon1_000800 CC1(C)[C@H]2C[C@@H]1C(=CC2)CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I01 compound treatment -0.0067 -0.00609 -0.17 0.663 -0.0107 -0.35 0.00740040962621595 0.00819354838709677 0.24823485165468 -0.1564 -0.3395 3558341 ACon1_000801 COC(=O)C1=C[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I02 compound treatment -0.0117 -0.0111 -0.31 0.668 -0.00573 -0.19 -0.0185995903737841 -0.0178064516129033 -0.539471016194425 -0.5984 -0.9208 3558497 ACon1_000802 CC1=CC(=O)C2=C(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4[C@H](OC(=O)C4=C)[C@@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I03 compound treatment -0.0107 -0.0101 -0.28 0.659 -0.0147 -0.48 -0.00359959037378404 -0.00280645161290322 -0.0850253232045555 -0.488 -0.8689 3558461 ACon1_000803 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(=O)C)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I04 compound treatment -0.0227 -0.0221 -0.62 0.666 -0.00773 -0.25 -0.0195995903737841 -0.0188064516129033 -0.569767395727082 -0.8314 -0.9468 3558501 ACon1_000804 CC(OC1OC(CO)C(O)C(O)C1O)C2C(O)CC3C4CCC5=CC(=O)CCC5(C)C4CCC23C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I05 mock treatment 0.0243 0.0249 0.7 0.672 -0.00173 -0.06 -0.0105995903737841 -0.00980645161290328 -0.297099979933162 0.1992 0.2618 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I06 mock treatment 0.0073 0.00794 0.22 0.67 -0.00373 -0.12 -0.0075995903737841 -0.00680645161290328 -0.206210841335189 -0.0605 -0.1851 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I07 compound treatment 0.0193 0.02 0.56 0.662 -0.0117 -0.38 -0.00159959037378406 -8.06451612903236E-4 -0.0244325641392405 0.089 0.1314 3557857 ACon1_000805 COc1c2ccoc2c(OC)c3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I08 compound treatment -0.0267 -0.0261 -0.73 0.65 -0.0237 -0.77 4.00409626215941E-4 0.00119354838709677 0.0361601949260752 -0.8461 -0.7961 3614493 ACon1_000806 COc1cc(O)c2c(=O)cc(oc2c1OC)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I09 compound treatment 0.0013 0.00192 0.05 0.668 -0.00573 -0.19 0.018400409626216 0.0191935483870968 0.581495026513918 0.2594 0.4232 3557926 ACon1_000807 CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)CC2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I10 compound treatment -0.0377 -0.037 -1.04 0.636 -0.0377 -1.22 -0.0395995903737841 -0.0388064516129033 -1.17569498638024 -1.9855 -0.9977 3558796 ACon1_000808 COc1cc(O)c(OC)c2OC(CC(=O)c12)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I11 compound treatment 0.0083 0.00894 0.25 0.669 -0.00473 -0.15 -0.0035995903737841 -0.00280645161290328 -0.0850253232045573 0.0069 0.0227 3558071 ACon1_000809 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccc(O)cc3)[C@H]4CCC(CO)[C@H]41 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I12 compound treatment -0.0187 -0.0181 -0.51 0.668 -0.00573 -0.19 -0.00459959037378405 -0.00380645161290323 -0.115321702737214 -0.4663 -0.8454 2084711 ACon1_000810 CC(=CCc1c(O)ccc2ccc(=O)oc12)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I13 compound treatment -0.0017 -0.00106 -0.03 0.674 2.66E-4 0.01 0.010400409626216 0.0111935483870968 0.339123990252655 0.1836 0.5393 3558138 ACon1_000811 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c5ccc(O)cc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I14 compound treatment -0.0027 -0.00206 -0.06 0.675 0.00127 0.04 -0.0045995903737841 -0.00380645161290328 -0.115321702737215 -0.0762 -0.5629 3555622 ACon1_000812 O[C@H]1[C@@H](O)[C@H](OC(=O)Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(=O)Cc3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I15 compound treatment 0.0093 0.00995 0.28 0.674 2.66E-4 0.01 -0.0125995903737841 -0.0118064516129033 -0.357692738998478 -0.0404 -0.0891 3558149 ACon1_000813 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H]4C/C(=C\CC2)/C(=O)O4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I16 compound treatment -0.0097 -0.00909 -0.25 0.67 -0.00373 -0.12 -0.0125995903737841 -0.0118064516129033 -0.357692738998478 -0.4236 -0.9298 3557723 ACon1_000814 CC1[C@@H]2CC/C(=C/CC/C(=C/[C@H]2OC1=O)/C)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I17 compound treatment -0.0017 -0.00106 -0.03 0.673 -7.34E-4 -0.02 0.015400409626216 0.0161935483870968 0.490605887915944 0.2524 0.5129 3558279 ACon1_000815 C/C(=C\CCC(O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/CCC(C)(O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I18 compound treatment -7.0E-4 -5.81E-5 0.0 0.672 -0.00173 -0.06 0.019400409626216 0.0201935483870968 0.611791406046575 0.3198 0.5205 3558214 ACon1_000816 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I19 compound treatment 0.0123 0.0129 0.36 0.681 0.00727 0.24 -0.0045995903737841 -0.00380645161290328 -0.115321702737215 0.2791 0.6231 3614503 ACon1_000817 CC1OC(=O)CC2C(=CC3(O)CC(C)(C)CC213)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I20 compound treatment -0.0047 -0.00406 -0.11 0.667 -0.00673 -0.22 -0.00559959037378404 -0.00480645161290322 -0.145618082269871 -0.2759 -0.9641 1072848 ACon1_000818 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I21 mock treatment -0.0017 -0.00108 -0.03 0.66 -0.0137 -0.45 0.00840040962621597 0.00919354838709679 0.278531231187339 -0.114 -0.2165 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I22 mock treatment 3.0E-4 9.42E-4 0.03 0.68 0.00627 0.2 0.00740040962621595 0.00819354838709677 0.24823485165468 0.276 0.8571 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I23 compound treatment 0.0093 0.00995 0.28 0.663 -0.0107 -0.35 4.0040962621595E-4 0.00119354838709677 0.0361601949260755 -0.0192 -0.0428 3554830 ACon1_000819 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 I24 compound treatment -0.0247 -0.0241 -0.68 0.648 -0.0257 -0.84 4.0040962621594E-4 0.00119354838709676 0.0361601949260751 -0.8512 -0.7921 3558502 ACon1_000820 COc1cc2OCOc2cc1c3coc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4c3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J01 compound treatment -0.0317 -0.0311 -0.87 0.643 -0.0307 -1.0 -0.0115995903737841 -0.0108064516129033 -0.32739635946582 -1.2681 -0.9294 3553370 ACon1_000821 CC(=O)OC[C@@]12C[C@H](O)C(=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]1(C)[C@@]43CO4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J02 compound treatment -0.0127 -0.0121 -0.34 0.643 -0.0307 -1.0 -0.0435995903737841 -0.0428064516129033 -1.29688050451087 -1.5202 -0.9098 3558605 ACon1_000822 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J03 compound treatment -0.0317 -0.0311 -0.87 0.646 -0.0277 -0.9 -0.0175995903737841 -0.0168064516129033 -0.509174636661767 -1.3169 -0.9737 3558664 ACon1_000823 CC(C(=O)O)[C@@]12CC[C@H](C)[C@H](CCC(=O)O)C(C)C2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J04 compound treatment -0.0057 -0.00508 -0.14 0.66 -0.0137 -0.45 0.0014004096262159 0.00219354838709672 0.0664565744587318 -0.3012 -0.6373 3559918 ACon1_000824 CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J05 mock treatment -0.0157 -0.0151 -0.42 0.664 -0.00973 -0.32 -0.0115995903737841 -0.0108064516129033 -0.32739635946582 -0.6157 -0.991 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J06 mock treatment 0.0033 0.00394 0.11 0.668 -0.00573 -0.19 -0.00859959037378405 -0.00780645161290323 -0.236507220867845 -0.1802 -0.562 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J07 compound treatment -0.0277 -0.0271 -0.76 0.661 -0.0127 -0.41 0.0014004096262159 0.00219354838709672 0.0664565744587318 -0.6387 -0.7365 3558736 ACon1_000825 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(O)OC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J08 compound treatment -7.0E-4 -7.81E-5 0.0 0.625 -0.0487 -1.58 4.0040962621596E-4 0.00119354838709678 0.0361601949260758 -0.8936 -0.5648 3558372 ACon1_000826 CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J09 compound treatment -0.0147 -0.0141 -0.39 0.661 -0.0127 -0.41 -0.00959959037378405 -0.00880645161290323 -0.266803600400503 -0.6207 -0.9839 3558673 ACon1_000827 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(=O)cc(oc3c1OC)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J10 compound treatment -0.0087 -0.00808 -0.23 0.652 -0.0217 -0.71 -0.0175995903737841 -0.0168064516129033 -0.509174636661767 -0.832 -0.9255 3553747 ACon1_000828 CC(O)C(C)CC/C=C(\C)/C(O)C/C=C(\C)/C=C/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J11 compound treatment -0.0187 -0.018 -0.51 0.669 -0.00473 -0.15 -0.0185995903737841 -0.0178064516129033 -0.539471016194425 -0.6923 -0.9164 3614508 ACon1_000829 COc1cc(oc(=O)c1C)/C(=C/C(C)CCCC(=O)O)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J12 compound treatment -0.0047 -0.00406 -0.11 0.663 -0.0107 -0.35 -0.0165995903737841 -0.0158064516129033 -0.478878257129109 -0.5433 -0.901 3554483 ACon1_000830 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J13 compound treatment -0.0277 -0.0271 -0.76 0.652 -0.0217 -0.71 -0.0305995903737841 -0.0298064516129033 -0.903027570586318 -1.3669 -0.9945 3559771 ACon1_000831 COc1ccc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J14 compound treatment -0.0027 -0.00206 -0.06 0.673 -7.34E-4 -0.02 -0.0035995903737841 -0.00280645161290328 -0.0850253232045573 -0.0962 -0.9116 3557886 ACon1_000832 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J15 compound treatment -0.0247 -0.0241 -0.68 0.659 -0.0147 -0.48 -0.00359959037378405 -0.00280645161290323 -0.0850253232045558 -0.7151 -0.8596 3559738 ACon1_000833 COC1=CC(C)c2c(C)c3c(C)coc3c(OC)c2C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J16 compound treatment -0.0077 -0.00708 -0.2 0.647 -0.0267 -0.87 -0.0045995903737841 -0.00380645161290328 -0.115321702737215 -0.6821 -0.76 3558192 ACon1_000834 C[C@H]1[C@H]2[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]6O)O[C@@]91CCC(C)CO9 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J17 compound treatment -0.0227 -0.0221 -0.62 0.658 -0.0157 -0.51 0.00340040962621596 0.00419354838709678 0.127049333524049 -0.579 -0.7125 3558487 ACon1_000835 CC1=C2[C@H](O)C(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J18 compound treatment 0.0013 0.00194 0.05 0.659 -0.0147 -0.48 0.00440040962621595 0.00519354838709677 0.157345713056707 -0.1538 -0.3038 3553097 ACon1_000836 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO[C@H]6OC[C@](O)(CO)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J19 compound treatment -0.0127 -0.0121 -0.34 0.677 0.00327 0.11 -5.99590373784042E-4 1.93548387096782E-4 0.00586381539341788 -0.1306 -0.3686 3614518 ACon1_000837 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2CO1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J20 compound treatment 0.0063 0.00694 0.19 0.67 -0.00373 -0.12 0.00940040962621597 0.0101935483870968 0.308827610719996 0.2207 0.5738 3558583 ACon1_000838 C/C=C(/C)\C(=O)OC1C(=C)C2CC31CCC4[C@](C)(CCC[C@]4(C)C3CC2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J21 mock treatment 3.0E-4 9.42E-4 0.03 0.675 0.00127 0.04 -0.00459959037378404 -0.00380645161290322 -0.115321702737213 -0.0276 -0.2205 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J22 mock treatment -0.0157 -0.0151 -0.42 0.65 -0.0237 -0.77 -0.00259959037378405 -0.00180645161290323 -0.054728943671898 -0.7206 -0.8183 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J23 compound treatment -0.0157 -0.0151 -0.42 0.65 -0.0237 -0.77 -0.0075995903737841 -0.00680645161290328 -0.206210841335189 -0.808 -0.8951 3558317 ACon1_000839 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)C5CC[C@]6(C)[C@H](CC[C@]6(O)[C@@H]5CCC4=C3)c7ccc(=O)oc7)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 J24 compound treatment 0.0043 0.00494 0.14 0.669 -0.00473 -0.15 -0.00359959037378404 -0.00280645161290322 -0.0850253232045555 -0.0578 -0.2584 3614523 ACon1_000840 COC1C(=O)Nc2ccc3C=CC(C)(CCC=C(C)C)Oc3c2C1(O)c4ccc(OC)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K01 compound treatment 0.0103 0.0109 0.31 0.683 0.00927 0.3 0.019400409626216 0.0201935483870968 0.611791406046575 0.704 0.9417 3558362 ACon1_000841 CC(=CCC/C(=C/C(O)C/C(=C/C(O)CC(C)(O)C=C)/C)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K02 compound treatment -0.0057 -0.00508 -0.14 0.663 -0.0107 -0.35 -0.0045995903737841 -0.00380645161290328 -0.115321702737215 -0.3499 -0.889 3558452 ACon1_000842 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K03 compound treatment 0.0113 0.012 0.34 0.68 0.00627 0.2 0.0114004096262159 0.0121935483870967 0.36942036978531 0.5242 0.9731 3558557 ACon1_000843 C/C(=C/COc1c(OC2OC(CO)C(O)C(O)C2O)ccc3ccc(=O)oc13)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K04 compound treatment 0.0093 0.00995 0.28 0.681 0.00727 0.24 0.0014004096262159 0.00219354838709672 0.0664565744587318 0.3356 0.9038 3558485 ACon1_000844 CC1[C@H]2C[C@@H]3[C@@H](CC[C@@]3(C)O)C(=C)CC2OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K05 compound treatment 0.0263 0.0269 0.75 0.694 0.0203 0.66 0.0134004096262159 0.0141935483870967 0.430013128850626 1.0638 0.9763 3557306 ACon1_000845 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(C53CO5)[C@@]2(CO)CC1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K06 compound treatment 0.0143 0.015 0.42 0.693 0.0193 0.63 0.018400409626216 0.0191935483870968 0.581495026513918 0.9388 0.9869 3614529 ACon1_000846 COc1ccc2C(=O)[C@]3(O)[C@@H](COc4cc5OCOc5cc43)Oc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K07 mock treatment 0.0333 0.0339 0.95 0.701 0.0273 0.88 -5.995903737841E-4 1.93548387096724E-4 0.00586381539341612 1.0632 0.8186 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K08 mock treatment 0.0223 0.0229 0.64 0.696 0.0223 0.72 0.00640040962621595 0.00719354838709677 0.217938472122022 0.9139 0.9221 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K09 compound treatment 0.0203 0.021 0.59 0.686 0.0123 0.4 -0.0875995903737841 -0.0868064516129033 -2.62992120394781 -0.9494 -0.3485 3558035 ACon1_000847 CC1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C(CO)C(O)CC31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K10 compound treatment 0.0063 0.00694 0.19 0.676 0.00227 0.07 0.012400409626216 0.0131935483870968 0.399716749317971 0.3856 0.8557 3554481 ACon1_000848 CN1C(=O)[C@@]2(Cc3ccccc3)SSS[C@]1(CO)C(=O)N2C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K11 compound treatment 0.0293 0.0299 0.84 0.698 0.0243 0.79 0.023400409626216 0.0241935483870968 0.732976924177207 1.3622 0.9985 3614533 ACon1_000849 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K12 compound treatment 0.0193 0.02 0.56 0.686 0.0123 0.4 0.00240040962621597 0.00319354838709679 0.0967529539913917 0.6087 0.8778 3558064 ACon1_000850 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K13 compound treatment 0.0163 0.0169 0.47 0.686 0.0123 0.4 -0.0075995903737841 -0.00680645161290328 -0.206210841335189 0.385 0.5895 3558118 ACon1_000851 COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc(O)c3c(=O)cc(oc13)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K14 compound treatment 0.0203 0.021 0.59 0.689 0.0153 0.5 0.026400409626216 0.0271935483870968 0.82386606277518 1.1009 0.9771 3557898 ACon1_000852 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K15 mock treatment 0.0203 0.0209 0.59 0.691 0.0173 0.56 0.028400409626216 0.0291935483870968 0.884458821840496 1.1727 0.9772 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K16 mock treatment 0.0163 0.0169 0.47 0.688 0.0143 0.46 0.012400409626216 0.0131935483870968 0.399716749317971 0.7723 0.9973 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K17 compound treatment 0.0133 0.014 0.39 0.683 0.00927 0.3 -0.00159959037378404 -8.06451612903216E-4 -0.0244325641392399 0.3854 0.7801 3558293 ACon1_000853 CC(C)c1cc2CCC3C(C)(CO)C[C@H](O)C[C@]3(C)c2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K18 compound treatment 0.0033 0.00394 0.11 0.678 0.00427 0.14 0.023400409626216 0.0241935483870968 0.732976924177207 0.5669 0.7518 3558216 ACon1_000854 CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(=CC2=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K19 compound treatment 0.0043 0.00495 0.14 0.67 -0.00373 -0.12 0.0134004096262159 0.0141935483870967 0.430013128850626 0.2585 0.5524 3553957 ACon1_000855 CC1C(OC(=O)C)C(OC(=O)C)C2=C(CCCC2(C)C)C1(C)CCC(C)(O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K20 compound treatment 0.0113 0.0119 0.33 0.685 0.0113 0.37 0.00140040962621594 0.00219354838709676 0.066456574458733 0.4428 0.8852 3558262 ACon1_000856 CC(C)C(O)(C(=O)C)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K21 compound treatment 0.0083 0.00895 0.25 0.676 0.00227 0.07 0.010400409626216 0.0111935483870968 0.339123990252655 0.3832 0.8947 3558329 ACon1_000857 COc1c(O)cc(CCc2cc(O)cc(O)c2)cc1CC(O)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K22 compound treatment 0.0193 0.02 0.56 0.687 0.0133 0.43 0.0164004096262159 0.0171935483870967 0.520902267448599 0.8723 0.9943 3553545 ACon1_000858 CC(C)C(OC(=O)C)c1nc2ccccc2c(=O)n1C3CC4(OC3=O)C5N(O)C(C)(C)C(=O)N5c6ccccc64 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K23 mock treatment 0.0123 0.013 0.36 0.68 0.00627 0.2 0.015400409626216 0.0161935483870968 0.490605887915944 0.6103 0.9486 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 K24 mock treatment 0.0173 0.0179 0.5 0.684 0.0103 0.33 -5.99590373784042E-4 1.93548387096782E-4 0.00586381539341788 0.4862 0.8057 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L01 compound treatment -0.0067 -0.00609 -0.17 0.666 -0.00773 -0.25 -0.0165995903737841 -0.0158064516129033 -0.478878257129109 -0.52 -0.9171 3552660 ACon1_000859 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C)[C@@](C)(O)C(=O)[C@H]3O[C@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L02 compound treatment 0.0113 0.0119 0.33 0.681 0.00727 0.24 0.0104004096262159 0.0111935483870967 0.339123990252652 0.5249 0.9879 3558654 ACon1_000860 COc1cc(/C=C/C(=O)CC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L03 compound treatment 0.0083 0.00895 0.25 0.675 0.00127 0.04 -0.0045995903737841 -0.00380645161290328 -0.115321702737215 0.102 0.3654 3558666 ACon1_000861 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(=C)[C@H]1CCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L04 compound treatment -0.0027 -0.00208 -0.06 0.67 -0.00373 -0.12 -0.0045995903737841 -0.00380645161290328 -0.115321702737215 -0.1702 -0.9607 3559920 ACon1_000862 CC(=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L05 compound treatment 0.0173 0.018 0.5 0.68 0.00627 0.2 0.00240040962621596 0.00319354838709678 0.0967529539913914 0.4639 0.8412 3558706 ACon1_000863 CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L06 compound treatment 0.0073 0.00795 0.22 0.673 -7.34E-4 -0.02 0.023400409626216 0.0241935483870968 0.732976924177207 0.5381 0.7021 3558287 ACon1_000864 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)O[C@@]%111CCC(C)CO%11 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L07 mock treatment -0.0057 -0.00509 -0.14 0.664 -0.00973 -0.32 0.00240040962621594 0.00319354838709676 0.0967529539913908 -0.2089 -0.5805 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L08 mock treatment -0.0047 -0.00408 -0.11 0.647 -0.0267 -0.87 0.00440040962621595 0.00519354838709677 0.157345713056707 -0.4761 -0.5354 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L09 compound treatment 0.0163 0.017 0.48 0.685 0.0113 0.37 -0.122599590373784 -0.121806451612903 -3.69029448759083 -1.6451 -0.44 3552042 ACon1_000865 C/C=C(\C)/CC(/C=C(\C)/C(O)C(C)/C=C(\C)/C(O)C(C)/C=C/C(O)C/C=C/C(O)C(O)C(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L10 compound treatment 0.0163 0.017 0.48 0.681 0.00727 0.24 -0.0135995903737841 -0.0128064516129033 -0.387989118531136 0.1865 0.2838 3558492 ACon1_000866 COc1cc(CC2COC(C2COC(=O)C)c3ccc(O)c(OC)c3)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L11 compound treatment 0.0103 0.0109 0.31 0.683 0.00927 0.3 0.00240040962621594 0.00319354838709676 0.0967529539913908 0.4066 0.9234 3614544 ACon1_000867 CC1CCC/C=C/2\C3C(OC(=C3C(=O)O1)\C=C\C=C\C=C\C(=O)O)C=CC2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L12 compound treatment 0.0143 0.015 0.42 0.684 0.0103 0.33 0.0134004096262159 0.0141935483870967 0.430013128850626 0.6827 0.994 3554712 ACon1_000868 COC(=O)c1cc(OC)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L13 compound treatment -0.0167 -0.0161 -0.45 0.665 -0.00873 -0.28 0.0084004096262159 0.00919354838709672 0.278531231187336 -0.2631 -0.4378 3559773 ACon1_000869 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L14 compound treatment 0.0033 0.00394 0.11 0.674 2.66E-4 0.01 0.00440040962621594 0.00519354838709676 0.157345713056706 0.1596 0.8294 3558463 ACon1_000870 CC(C)c1cc2C3OC(=O)[C@@]4(CCCC(C)(C)C4[C@H]3O)c2c(O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L15 mock treatment 0.0063 0.00695 0.19 0.679 0.00527 0.17 4.0040962621596E-4 0.00119354838709678 0.0361601949260758 0.2321 0.8867 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L16 mock treatment -7.0E-4 -5.81E-5 0.0 0.679 0.00527 0.17 0.00440040962621595 0.00519354838709677 0.157345713056707 0.1886 0.8117 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L17 compound treatment 0.0233 0.0239 0.67 0.695 0.0213 0.69 0.014400409626216 0.0151935483870968 0.460309508383286 1.0513 0.9856 3555854 ACon1_000871 OC(=O)CCC1OC(=O)C(=C1c2ccccc2)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L18 compound treatment -0.0027 -0.00209 -0.06 0.672 -0.00173 -0.06 0.018400409626216 0.0191935483870968 0.581495026513918 0.2694 0.4589 3553101 ACon1_000872 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L19 compound treatment 0.0013 0.00194 0.05 0.676 0.00227 0.07 0.011400409626216 0.0121935483870968 0.369420369785313 0.2872 0.7546 3614554 ACon1_000873 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L20 compound treatment 0.0113 0.0119 0.33 0.681 0.00727 0.24 0.015400409626216 0.0161935483870968 0.490605887915944 0.6127 0.9587 3558638 ACon1_000874 C/C=C(/C)\C(=O)O[C@H]\1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3O[C@]3(C)CC/C=C1\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L21 compound treatment 0.0163 0.017 0.48 0.679 0.00527 0.17 0.0014004096262159 0.00219354838709672 0.0664565744587318 0.4114 0.8077 3554505 ACon1_000875 CO[C@@H]1C[C@]2(CC=C)[C@@H](C)[C@@H](OC2=C(OC)C1=O)c3cc4OCOc4c(OC)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L22 compound treatment 0.0183 0.019 0.53 0.674 2.66E-4 0.01 0.0114004096262159 0.0121935483870967 0.36942036978531 0.525 0.8112 3558750 ACon1_000876 CC(=CCCC(=CCCC(=CC1C(O)C=C(C)C1=O)C)C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L23 mock treatment 0.0153 0.016 0.45 0.684 0.0103 0.33 0.014400409626216 0.0151935483870968 0.460309508383286 0.7163 0.9906 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 L24 mock treatment 0.0173 0.0179 0.5 0.69 0.0163 0.53 0.022400409626216 0.0231935483870968 0.702680544644549 1.0004 0.9883 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M01 compound treatment 0.0063 0.00694 0.19 0.675 0.00127 0.04 0.00640040962621595 0.00719354838709677 0.217938472122022 0.2619 0.8876 2112282 ACon1_000877 CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M02 compound treatment -0.0287 -0.0281 -0.79 0.66 -0.0137 -0.45 -0.00259959037378406 -0.00180645161290324 -0.0547289436718983 -0.7436 -0.8203 3558453 ACon1_000878 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(OC)c(O)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M03 compound treatment -0.0027 -0.00206 -0.06 0.672 -0.00173 -0.06 0.00840040962621594 0.00919354838709676 0.278531231187338 0.095 0.3276 3558587 ACon1_000879 COc1cc(C[C@@H]2COC([C@@H]2CO)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)ccc1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M04 compound treatment -0.0067 -0.00608 -0.17 0.666 -0.00773 -0.25 -0.0015995903737841 -8.06451612903276E-4 -0.0244325641392417 -0.2574 -0.8457 3554680 ACon1_000880 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/[C@@H]1CC(=O)OCC(C3CCC(C)C3C(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M05 compound treatment -0.0047 -0.00406 -0.11 0.665 -0.00873 -0.28 -0.015599590373784 -0.0148064516129032 -0.448581877596448 -0.4883 -0.8998 3553941 ACon1_000881 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C43CO4)[C@@]2(CO)CC1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M06 compound treatment 0.0133 0.0139 0.39 0.657 -0.0167 -0.54 0.00140040962621595 0.00219354838709677 0.0664565744587333 -0.0495 -0.0736 3559292 ACon1_000882 CO[C@H]1C[C@@H](Oc2c(CC=C(C)C)c(OC)cc(OC)c12)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M07 compound treatment -0.0027 -0.00206 -0.06 0.672 -0.00173 -0.06 0.00940040962621595 0.0101935483870968 0.308827610719996 0.1125 0.3524 3557952 ACon1_000883 COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M08 compound treatment -0.0127 -0.0121 -0.34 0.669 -0.00473 -0.15 -0.0105995903737841 -0.00980645161290328 -0.297099979933162 -0.4554 -0.9576 3554197 ACon1_000884 CCC1(C)C(O)C2=COC(=C(C)C2=CC1=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M09 mock treatment -0.0177 -0.017 -0.48 0.674 2.66E-4 0.01 -0.0155995903737841 -0.0148064516129033 -0.448581877596451 -0.53 -0.8084 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M10 mock treatment -0.0267 -0.0261 -0.73 0.654 -0.0197 -0.64 -0.0325995903737841 -0.0318064516129033 -0.963620329651634 -1.3484 -0.9851 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M11 compound treatment -0.0217 -0.0211 -0.59 0.654 -0.0197 -0.64 -0.0205995903737841 -0.0198064516129033 -0.60006377525974 -1.0576 -0.9994 3553758 ACon1_000885 CC(O)CCCC1Cc2cccc(O)c2C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M12 compound treatment -0.0087 -0.00809 -0.23 0.632 -0.0417 -1.35 0.0024004096262159 0.00319354838709672 0.0967529539913896 -0.8571 -0.6225 3554988 ACon1_000886 COc1cc(O)c2c(=O)oc3c(O)c(OC)cc(C)c3c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M13 mock treatment -0.0237 -0.023 -0.65 0.672 -0.00173 -0.06 -0.0235995903737841 -0.0228064516129033 -0.690952913857714 -0.8045 -0.8489 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M14 mock treatment 0.0093 0.00995 0.28 0.658 -0.0157 -0.51 -5.9959037378406E-4 1.93548387096764E-4 0.00586381539341733 -0.1303 -0.224 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M15 compound treatment -0.0247 -0.0241 -0.68 0.666 -0.00773 -0.25 0.00640040962621594 0.00719354838709676 0.217938472122022 -0.409 -0.5434 3614568 ACon1_000887 CC1OC(OC(=O)C2=CC3CC(C)(C)CC34C2CC(=O)OC4C)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M16 compound treatment -0.0207 -0.0201 -0.56 0.64 -0.0337 -1.09 -0.0045995903737841 -0.00380645161290328 -0.115321702737215 -1.0237 -0.8279 3557904 ACon1_000888 Cc1c(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)C[C@H](O)[C@H]2O)occc1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M17 compound treatment -0.0027 -0.00206 -0.06 0.664 -0.00973 -0.32 -0.0155995903737841 -0.0148064516129033 -0.448581877596451 -0.4747 -0.8605 3554555 ACon1_000889 COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC(OC(=O)C)C3=C2CC(OC(=O)C)[C@](C)(C=C)C3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M18 compound treatment -0.0067 -0.00606 -0.17 0.657 -0.0167 -0.54 -0.00959959037378405 -0.00880645161290323 -0.266803600400503 -0.5657 -0.9 3557955 ACon1_000890 CC(O)CCCCCCCCCC(Cc1cc(O)cc(O)c1)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M19 compound treatment -0.0017 -0.00106 -0.03 0.672 -0.00173 -0.06 0.0164004096262159 0.0171935483870967 0.520902267448599 0.2511 0.4785 3558411 ACon1_000891 C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M20 compound treatment -0.0027 -0.00208 -0.06 0.655 -0.0187 -0.61 -0.0045995903737841 -0.00380645161290328 -0.115321702737215 -0.4513 -0.726 3554267 ACon1_000892 CCCCCC(O)C1OC(=O)CCC(O)C(O)/C=C/C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M21 compound treatment -0.0067 -0.00606 -0.17 0.675 0.00127 0.04 -0.0175995903737841 -0.0168064516129033 -0.509174636661767 -0.3683 -0.6842 3558351 ACon1_000893 Cc1cc(O)c2C(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M22 compound treatment 0.0033 0.00392 0.11 0.653 -0.0207 -0.67 -0.0195995903737841 -0.0188064516129033 -0.569767395727082 -0.654 -0.736 3552748 ACon1_000894 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](Oc4ccc5c(=O)c(coc5c4)c6ccc(O)cc6)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M23 compound treatment -0.0037 -0.00308 -0.09 0.665 -0.00873 -0.28 -0.0105995903737841 -0.00980645161290328 -0.297099979933162 -0.385 -0.9176 3558422 ACon1_000895 CC(=O)OC1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 M24 compound treatment -0.0087 -0.00808 -0.23 0.649 -0.0247 -0.8 -0.0135995903737841 -0.0128064516129033 -0.387989118531136 -0.8182 -0.8895 3558504 ACon1_000896 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3[C@@H](C[C@H](O)C3=C)C(=C)C[C@@H]2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N01 compound treatment 0.0013 0.00194 0.05 0.656 -0.0177 -0.58 -0.0275995903737841 -0.0268064516129033 -0.812138431988345 -0.7698 -0.7722 3555900 ACon1_000897 OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(=O)cc(c4ccc(O)c(O)c4)c23)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N02 compound treatment -0.0287 -0.0281 -0.79 0.646 -0.0277 -0.9 -0.0125995903737841 -0.0118064516129033 -0.357692738998478 -1.1809 -0.946 3614577 ACon1_000898 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1O)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N03 compound treatment -0.0597 -0.0591 -1.66 0.65 -0.0237 -0.77 -0.00359959037378406 -0.00280645161290324 -0.0850253232045561 -1.4501 -0.793 3558675 ACon1_000899 COc1ccccc1c2cc(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(OC)c(OC)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N04 compound treatment -0.0727 -0.0721 -2.02 0.658 -0.0157 -0.51 -0.0215995903737841 -0.0208064516129033 -0.630360154792398 -1.8255 -0.8383 3559922 ACon1_000900 CC(=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)C[C@H](Oc13)c4ccc(O)cc4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N05 compound treatment 0.0023 0.00295 0.08 0.604 -0.0697 -2.26 -0.0195995903737841 -0.0188064516129033 -0.569767395727082 -1.5878 -0.6799 3614580 ACon1_000901 CC1=CCC2C(C)(CO)CCCC2(C)C1CC34OC4C(O)C(=CC3O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N06 compound treatment -0.0197 -0.0191 -0.54 0.645 -0.0287 -0.93 -0.0155995903737841 -0.0148064516129033 -0.448581877596451 -1.1064 -0.9497 3558417 ACon1_000902 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)C)[C@@H]2OC(=O)\C=C\c7ccc(OC)cc7)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N07 compound treatment -0.0107 -0.0101 -0.28 0.664 -0.00973 -0.32 -0.0295995903737841 -0.0288064516129033 -0.872731191053661 -0.8496 -0.8756 3557311 ACon1_000903 CC(C)CCC(O)C1CC(CO)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N08 compound treatment -0.0287 -0.0281 -0.79 0.644 -0.0297 -0.97 -0.0585995903737841 -0.0578064516129033 -1.75132619750074 -2.0228 -0.9413 3558683 ACon1_000904 CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N09 mock treatment -0.0187 -0.0181 -0.51 0.633 -0.0407 -1.32 -0.0395995903737841 -0.0388064516129033 -1.17569498638024 -1.7347 -0.9426 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N10 mock treatment -0.0407 -0.04 -1.12 0.67 -0.00373 -0.12 -0.0415995903737841 -0.0408064516129033 -1.23628774544555 -1.432 -0.8552 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N11 compound treatment -0.0307 -0.0301 -0.84 0.61 -0.0637 -2.07 -0.0175995903737841 -0.0168064516129033 -0.509174636661767 -1.9752 -0.8621 3614587 ACon1_000905 CC1CCC/C=C/C/C=C\C(OC(=O)/C=C\C=C\C=C\C(=O)O)/C=C/C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N12 compound treatment -0.0367 -0.036 -1.01 0.67 -0.00373 -0.12 -0.00359959037378405 -0.00280645161290323 -0.0850253232045558 -0.7026 -0.6878 3558740 ACon1_000906 COc1ccc(cc1)c2oc3cc(OC)cc(O)c3c(=O)c2OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N13 mock treatment 0.0013 0.00194 0.05 0.655 -0.0187 -0.61 -0.00459959037378404 -0.00380645161290322 -0.115321702737213 -0.3862 -0.6216 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N14 mock treatment -0.0377 -0.0371 -1.04 0.658 -0.0157 -0.51 -0.00159959037378404 -8.06451612903216E-4 -0.0244325641392399 -0.9091 -0.7848 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N15 compound treatment 0.0163 0.017 0.48 0.683 0.00927 0.3 -0.0155995903737841 -0.0148064516129033 -0.448581877596451 0.189 0.2628 3559368 ACon1_000907 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(CO)C5CCC43C)C12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N16 compound treatment -0.0117 -0.0111 -0.31 0.665 -0.00873 -0.28 -0.0025995903737841 -0.00180645161290328 -0.0547289436718995 -0.3747 -0.8833 3552752 ACon1_000908 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N17 compound treatment -0.0167 -0.0161 -0.45 0.63 -0.0437 -1.42 -0.0135995903737841 -0.0128064516129033 -0.387989118531136 -1.3039 -0.8472 3553640 ACon1_000909 CC(C)Cc1cnc(CCC(=O)N)c(=O)[nH]1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N18 compound treatment -0.0297 -0.0291 -0.82 0.664 -0.00973 -0.32 0.00540040962621595 0.00619354838709677 0.187642092589365 -0.5448 -0.6092 3558595 ACon1_000910 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N19 compound treatment -0.0227 -0.0221 -0.62 0.66 -0.0137 -0.45 -0.0205995903737841 -0.0198064516129033 -0.60006377525974 -0.9613 -0.9903 3614597 ACon1_000911 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(OC(=O)C)C2CO1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N20 compound treatment -0.0147 -0.014 -0.39 0.668 -0.00573 -0.19 -0.0195995903737841 -0.0188064516129033 -0.569767395727082 -0.6638 -0.9255 3558712 ACon1_000912 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(COC(=O)C(C)C)C(O)C1)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N21 compound treatment -0.0037 -0.00308 -0.09 0.666 -0.00773 -0.25 -0.00359959037378404 -0.00280645161290322 -0.0850253232045555 -0.2438 -0.8748 3614600 ACon1_000913 CC(CCO)/C=C(\C)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N22 compound treatment -0.0217 -0.0211 -0.59 0.662 -0.0117 -0.38 -0.0245995903737841 -0.0238064516129033 -0.721249293390371 -0.9776 -0.9705 3559260 ACon1_000914 CC1OC(OC2C(O)C(CO)OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C3(C)C)C2O)C(O)C(OC%10OCC(O)(CO)C%10O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N23 compound treatment -0.0017 -0.00108 -0.03 0.664 -0.00973 -0.32 -0.00359959037378404 -0.00280645161290322 -0.0850253232045555 -0.2489 -0.7577 3558089 ACon1_000915 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](O)[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)[C@H](C)O)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 N24 compound treatment 0.0033 0.00395 0.11 0.668 -0.00573 -0.19 0.00640040962621595 0.00719354838709677 0.217938472122022 0.0823 0.268 3557301 ACon1_000916 CC(OC(=O)c1cccc(O)c1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O01 compound treatment -0.0477 -0.0471 -1.32 0.619 -0.0547 -1.78 -5.995903737841E-4 1.93548387096724E-4 0.00586381539341612 -1.7844 -0.8062 3557296 ACon1_000917 C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O02 compound treatment 0.0023 0.00295 0.08 0.671 -0.00273 -0.09 0.00640040962621595 0.00719354838709677 0.217938472122022 0.1224 0.4906 3497202 ACon1_000918 CC(=CCO)CCC1C(C)(O)CCC2C(C)(C)CCCC12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O03 compound treatment 0.0023 0.00292 0.08 0.669 -0.00473 -0.15 0.00940040962621595 0.0101935483870968 0.308827610719996 0.1369 0.3861 3558589 ACon1_000919 CSC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O04 compound treatment 0.0093 0.00995 0.28 0.679 0.00527 0.17 0.0174004096262159 0.0181935483870967 0.551198646981257 0.578 0.9017 3558219 ACon1_000920 C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC/C(=C/CO)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O05 compound treatment 0.0073 0.00795 0.22 0.678 0.00427 0.14 0.011400409626216 0.0121935483870968 0.369420369785313 0.4219 0.9311 1045397 ACon1_000921 COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O06 compound treatment 0.0053 0.00595 0.17 0.674 2.66E-4 0.01 0.00840040962621595 0.00919354838709677 0.278531231187338 0.2621 0.807 1046376 ACon1_000922 COc1c(O)c2c(=O)cc(oc2c(OC)c1OC)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O07 compound treatment 0.0133 0.014 0.39 0.681 0.00727 0.24 -0.0075995903737841 -0.00680645161290328 -0.206210841335189 0.2429 0.4847 3557981 ACon1_000923 OC[C@H]1O[C@@H](OC2OC=C(C3CCC(=C)C32)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O08 compound treatment -0.0057 -0.00508 -0.14 0.664 -0.00973 -0.32 0.00940040962621595 0.0101935483870968 0.308827610719996 -0.0863 -0.1859 3554706 ACon1_000924 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O09 compound treatment 0.0133 0.014 0.39 0.68 0.00627 0.2 0.00740040962621595 0.00819354838709677 0.24823485165468 0.4866 0.9617 3551984 ACon1_000925 C/C(=C\OC(=O)/C=C/c1ccc(O)cc1)/C(O)C2OC(=O)/C(=C\COC3OC(CO)C(O)C(O)C3O)/C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O10 compound treatment -0.0087 -0.00808 -0.23 0.657 -0.0167 -0.54 -0.0105995903737841 -0.00980645161290328 -0.297099979933162 -0.6159 -0.9343 3558809 ACon1_000926 CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O11 mock treatment -0.0027 -0.00208 -0.06 0.666 -0.00773 -0.25 0.00440040962621594 0.00519354838709676 0.157345713056706 -0.0877 -0.2905 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O12 mock treatment -0.0087 -0.00808 -0.23 0.657 -0.0167 -0.54 0.00240040962621594 0.00319354838709676 0.0967529539913908 -0.3885 -0.6514 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O13 compound treatment 0.0163 0.017 0.48 0.684 0.0103 0.33 0.0024004096262159 0.00319354838709672 0.0967529539913896 0.5226 0.8882 3553125 ACon1_000927 C[C@H]1CC(O)C23COC(=O)[C@@H]3CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O14 compound treatment 0.0083 0.00895 0.25 0.677 0.00327 0.11 0.00140040962621594 0.00219354838709676 0.066456574458733 0.2445 0.8717 3557917 ACon1_000928 C[C@]1(C[C@]2(O)O[C@@H]3O1)[C@]4(C[C@@H]2C34COC(=O)c5ccccc5)O[C@@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O15 compound treatment 0.0073 0.00795 0.22 0.672 -0.00173 -0.06 0.017400409626216 0.0181935483870968 0.55119864698126 0.4145 0.694 3555917 ACon1_000929 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3oc4c(O)c(O)ccc4c(=O)c3c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O16 compound treatment 0.0063 0.00695 0.19 0.674 2.66E-4 0.01 -0.0035995903737841 -0.00280645161290328 -0.0850253232045573 0.0684 0.3215 3557831 ACon1_000930 CC1OC(OC2C(O)C(O)C(Oc3cc(O)c4c(=O)c(coc4c3)c5ccc(O)c(O)c5)OC2CO)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O17 compound treatment 0.0063 0.00695 0.19 0.673 -7.34E-4 -0.02 -5.9959037378406E-4 1.93548387096764E-4 0.00586381539341733 0.1022 0.52 3557287 ACon1_000931 CCCC1CCC(C(=C)C(=O)O)C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O18 compound treatment -0.0157 -0.0151 -0.42 0.652 -0.0217 -0.71 -0.0025995903737841 -0.00180645161290328 -0.0547289436718995 -0.6831 -0.8287 3558352 ACon1_000932 C[C@]12C[C@H](OC(=O)C(=C)C(O)CO)[C@@H]3[C@H](OC(=O)C3=C)C2C(CC[C@H]1O)C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O19 compound treatment -0.0027 -0.00208 -0.06 0.668 -0.00573 -0.19 -0.0085995903737841 -0.00780645161290328 -0.236507220867846 -0.2776 -0.9057 1062453 ACon1_000933 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O20 compound treatment -0.0017 -0.00108 -0.03 0.665 -0.00873 -0.28 -0.0115995903737841 -0.0108064516129033 -0.32739635946582 -0.3701 -0.8526 3557279 ACon1_000934 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3cc(OC)cc(OC)c3C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O21 compound treatment -0.0027 -0.00208 -0.06 0.664 -0.00973 -0.32 0.012400409626216 0.0131935483870968 0.399716749317971 0.0147 0.0287 3558330 ACon1_000935 CC(C)(O)C1Cc2cc(CCc3cc(O)cc(O)c3)ccc2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O22 compound treatment 0.0053 0.00592 0.17 0.676 0.00227 0.07 0.00740040962621594 0.00819354838709676 0.24823485165468 0.2816 0.9157 3553357 ACon1_000936 CC(=O)OC/C/1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O23 compound treatment -0.0057 -0.00508 -0.14 0.661 -0.0127 -0.41 0.012400409626216 0.0131935483870968 0.399716749317971 -0.09 -0.152 3558425 ACon1_000937 COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 O24 compound treatment -0.0147 -0.0141 -0.39 0.651 -0.0227 -0.74 -0.0095995903737841 -0.00880645161290328 -0.266803600400504 -0.8081 -0.9199 3555971 ACon1_000938 OCCC(CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P01 compound treatment 0.0023 0.00295 0.08 0.668 -0.00573 -0.19 -0.0105995903737841 -0.00980645161290328 -0.297099979933162 -0.2312 -0.6418 3558656 ACon1_000939 C[C@@H]/1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C)[C@@](C)(O)C(=O)/C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P02 compound treatment 0.0083 0.00895 0.25 0.672 -0.00173 -0.06 4.0040962621594E-4 0.00119354838709676 0.0361601949260751 0.1333 0.5131 3558684 ACon1_000940 CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P03 compound treatment 0.0123 0.0129 0.36 0.679 0.00527 0.17 -0.0055995903737841 -0.00480645161290328 -0.145618082269873 0.2241 0.5252 3558685 ACon1_000941 CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P04 compound treatment -0.0037 -0.00308 -0.09 0.663 -0.0107 -0.35 -0.0035995903737841 -0.00280645161290328 -0.0850253232045573 -0.3001 -0.8135 3554701 ACon1_000942 COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P05 compound treatment -0.0097 -0.00909 -0.25 0.66 -0.0137 -0.45 0.00640040962621595 0.00719354838709677 0.217938472122022 -0.2786 -0.4995 3614622 ACon1_000943 CC1=CCC2C(C)(CCCC2(C)C1CC34OC4C(O)C(=C)C(O)C3O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P06 compound treatment -0.0057 -0.00509 -0.14 0.662 -0.0117 -0.38 0.00540040962621595 0.00619354838709677 0.187642092589365 -0.1939 -0.4329 3558470 ACon1_000944 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2C1)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P07 compound treatment -0.0017 -0.00108 -0.03 0.662 -0.0117 -0.38 -0.0105995903737841 -0.00980645161290328 -0.297099979933162 -0.4089 -0.8448 3553189 ACon1_000945 CC(=CCC/C(=C\CC\C(=C\CC\C(=C\CO)\CO)\C)/C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P08 compound treatment -0.0017 -0.00106 -0.03 0.661 -0.0127 -0.41 -0.0115995903737841 -0.0108064516129033 -0.32739635946582 -0.4448 -0.8422 3554753 ACon1_000946 COc1c(C)cc(C(=O)/C=C/c2ccccc2)c(O)c1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P09 compound treatment -0.0117 -0.0111 -0.31 0.654 -0.0197 -0.64 -0.00559959037378405 -0.00480645161290323 -0.145618082269871 -0.6332 -0.8715 3552709 ACon1_000947 C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)/C=C/C(=C/Cc2c(O)c(Cl)c(C)c(C=O)c2O)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P10 compound treatment -0.0107 -0.0101 -0.28 0.655 -0.0187 -0.61 -0.0085995903737841 -0.00780645161290328 -0.236507220867846 -0.6507 -0.9153 3558180 ACon1_000948 COc1cc(CCCO)cc2[C@@H](CO)[C@@H](Oc21)c3ccc(OC)c(OC)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P11 mock treatment -0.0217 -0.0211 -0.59 0.649 -0.0247 -0.8 -0.0165995903737841 -0.0158064516129033 -0.478878257129109 -1.0811 -0.9776 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P12 mock treatment -0.0027 -0.00208 -0.06 0.664 -0.00973 -0.32 -0.0145995903737841 -0.0138064516129033 -0.418285498063793 -0.4575 -0.8675 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P13 compound treatment -0.0147 -0.0141 -0.39 0.653 -0.0207 -0.67 4.00409626215941E-4 0.00119354838709677 0.0361601949260752 -0.5955 -0.7625 3553333 ACon1_000949 CC(=O)O[C@@H]1C[C@](C)(C=C)C=C2[C@H](O)CC3C(C)(C)CC[C@@H](OC(=O)C)[C@]3(C)C12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P14 compound treatment -0.0027 -0.00209 -0.06 0.666 -0.00773 -0.25 0.011400409626216 0.0121935483870968 0.369420369785313 0.0346 0.0767 3558552 ACon1_000950 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P15 compound treatment 0.0043 0.00495 0.14 0.675 0.00127 0.04 -0.0065995903737841 -0.00580645161290328 -0.175914461802531 0.0023 0.0101 3559386 ACon1_000951 CC(C)C(O)CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P16 compound treatment -0.0107 -0.0101 -0.28 0.659 -0.0147 -0.48 -0.0065995903737841 -0.00580645161290328 -0.175914461802531 -0.5408 -0.9282 3558472 ACon1_000952 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2C1)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P17 compound treatment -0.0197 -0.0191 -0.53 0.65 -0.0237 -0.77 -0.00159959037378406 -8.06451612903236E-4 -0.0244325641392405 -0.7677 -0.8183 3558567 ACon1_000953 CC1=C(CCC2=CC(=O)OC2O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P18 compound treatment 0.0043 0.00494 0.14 0.67 -0.00373 -0.12 -0.0175995903737841 -0.0168064516129033 -0.509174636661767 -0.284 -0.5244 3558599 ACon1_000954 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(O[C@H]7OC[C@](O)(CO)[C@H]7O)C(O)C6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P19 compound treatment 0.0033 0.00395 0.11 0.673 -7.34E-4 -0.02 -0.0015995903737841 -8.06451612903276E-4 -0.0244325641392417 0.0361 0.3114 3614634 ACon1_000955 CC(C)C1NC(=O)C(CC2(O)C3NC(Cc4ccccc4)C(=O)N3c5ccccc52)NC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P20 compound treatment 0.0053 0.00595 0.17 0.67 -0.00373 -0.12 -0.00159959037378406 -8.06451612903236E-4 -0.0244325641392405 0.0123 0.0591 3551644 ACon1_000956 CC1Oc2c3C=CC(C)(C)Oc3c4c(cc(=O)oc4c2C(=O)C1C)c5ccccc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P21 compound treatment 0.0133 0.014 0.39 0.679 0.00527 0.17 0.00140040962621594 0.00219354838709676 0.066456574458733 0.3629 0.84 3554485 ACon1_000957 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P22 compound treatment -7.0E-4 -7.81E-5 0.0 0.669 -0.00473 -0.15 -0.0025995903737841 -0.00180645161290328 -0.0547289436718995 -0.1216 -0.7453 3554963 ACon1_000958 COc1cc(O)c(C(=O)O)c(c1)c2c(C)cc(oc2=O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P23 compound treatment 0.0013 0.00192 0.05 0.669 -0.00473 -0.15 -0.0125995903737841 -0.0118064516129033 -0.357692738998478 -0.2641 -0.672 3558309 ACon1_000959 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2292 P24 compound treatment 3.0E-4 9.22E-4 0.03 0.662 -0.0117 -0.38 0.028400409626216 0.0291935483870968 0.884458821840496 0.3057 0.3173 3557994 ACon1_000960 C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)C)[C@@]3(COC(=O)C)[C@H](C[C@@H]4[C@@H](OC(=O)c5ccccc5)[C@]13OC4(C)C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A01 compound treatment 0.0107 0.0096 0.27 0.681 0.0115 0.37 0.0155020885547197 0.0192542372881356 0.58333368049321 0.7074 0.9524 3554483 ACon1_000961 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A02 compound treatment 0.0167 0.0156 0.44 0.693 0.0235 0.76 0.0045020885547197 0.00825423728813564 0.250073505633974 0.8363 0.9159 3554004 ACon1_000962 CC1CC23OC3(/C=C(/C)\C(O)C(O)C4C(C(O)C(C)C2=O)C4(C)C)C1OC5OC(CO)C(O)C(O)C5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A03 compound treatment -0.0583 -0.0594 -1.66 0.649 -0.0205 -0.67 -0.00549791144528035 -0.00174576271186441 -0.0528902896926061 -1.3758 -0.7672 3614644 ACon1_000963 CC(C)CC1NC(=O)C23C1C(=CC(O)C3/C=C/CCC4OC4(C)C(O)CC2=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A04 compound treatment -0.0043 -0.0054 -0.15 0.671 0.00148 0.05 -0.0844979114452803 -0.0807457627118644 -2.44630427277257 -1.472 -0.6005 3558783 ACon1_000964 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)C[C@H](Oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A05 compound treatment 0.0097 0.00856 0.24 0.681 0.0115 0.37 0.0185020885547197 0.0222542372881356 0.674222819091183 0.743 0.9208 3553738 ACon1_000965 CC(O)(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C(=O)O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A06 compound treatment -0.0363 -0.0374 -1.05 0.629 -0.0405 -1.31 0.00750208855471965 0.0112542372881356 0.340962644231946 -1.1671 -0.6804 3558578 ACon1_000966 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A07 compound treatment -0.0213 -0.0224 -0.63 0.65 -0.0195 -0.63 0.0035020885547197 0.00725423728813564 0.219777126101316 -0.6007 -0.6545 3558828 ACon1_000967 C/C/1=C\CCC2=CC(OC2=O)C(C)(C)/C=C\C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A08 compound treatment -0.0363 -0.0374 -1.05 0.634 -0.0355 -1.15 0.00350208855471965 0.00725423728813559 0.219777126101314 -1.144 -0.727 3554998 ACon1_000968 COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CCC45OC56CC=C(C7=CC(=O)OC7)[C@@]6(C)CCC43)C2)OC(C)C1O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A09 compound treatment 0.0287 0.0276 0.77 0.682 0.0125 0.41 0.0245020885547197 0.0282542372881356 0.85600109628713 1.1743 0.9607 3558621 ACon1_000969 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A10 compound treatment -0.0263 -0.0274 -0.77 0.679 0.00948 0.31 0.00750208855471967 0.0112542372881356 0.340962644231946 -0.0683 -0.0764 3558846 ACon1_000970 C/C(=C\CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CCC(=O)C(C)(C)C4CC3)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A11 compound treatment -0.0323 -0.0334 -0.94 0.671 0.00148 0.05 -4.9791144528034E-4 0.0032542372881356 0.0985916079706833 -0.4553 -0.4835 3614654 ACon1_000971 CC(O)CC(=O)c1cc(O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A12 compound treatment -0.0223 -0.0234 -0.65 0.68 0.0105 0.34 0.0105020885547197 0.0142542372881356 0.43185178282992 0.0677 0.0791 3553484 ACon1_000972 CC(C)(OO)C1=C[C@]23CCC4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A13 mock treatment -0.0043 -0.0054 -0.15 0.666 -0.00352 -0.11 0.00150208855471966 0.0052542372881356 0.159184367035999 -0.0614 -0.248 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A14 mock treatment 0.0117 0.0106 0.3 0.686 0.0165 0.53 -0.0884979114452804 -0.0847457627118645 -2.56748979090321 -1.0019 -0.3796 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A15 compound treatment 0.0107 0.0096 0.27 0.68 0.0105 0.34 0.00950208855471965 0.0132542372881356 0.401555403297261 0.5837 0.9874 3558823 ACon1_000973 CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)OC4C5OC5(C)C6C(OC7OC(CO)C(O)C(O)C7O)OC=CC46O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A16 compound treatment -0.0043 -0.0054 -0.15 0.681 0.0115 0.37 0.00350208855471966 0.0072542372881356 0.219777126101315 0.2547 0.5556 3558930 ACon1_000974 OC1CCC(O)C(O)(C1O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A17 compound treatment -0.0163 -0.0174 -0.49 0.654 -0.0155 -0.5 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.6211 -0.8787 3558444 ACon1_000975 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A18 compound treatment -0.0263 -0.0274 -0.77 0.636 -0.0335 -1.09 -0.00149791144528035 0.00225423728813559 0.0682952284380252 -1.0315 -0.7739 3558953 ACon1_000976 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A19 compound treatment -0.0643 -0.0654 -1.83 0.651 -0.0185 -0.6 -0.0804979114452804 -0.0767457627118645 -2.32511875464194 -2.7473 -0.9095 1113957 ACon1_000977 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A20 compound treatment -0.0123 -0.0134 -0.38 0.663 -0.00652 -0.21 -0.0284979114452804 -0.0247457627118645 -0.749707018943737 -0.7725 -0.8928 3558990 ACon1_000978 CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A21 compound treatment -0.0103 -0.0114 -0.32 0.672 0.00248 0.08 -0.0394979114452804 -0.0357457627118645 -1.08296719380297 -0.7626 -0.6738 3558623 ACon1_000979 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A22 compound treatment -0.0093 -0.0104 -0.29 0.668 -0.00152 -0.05 -0.00449791144528035 -7.4576271186441E-4 -0.0225939101599483 -0.2098 -0.7075 3558955 ACon1_000980 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A23 compound treatment 7.0E-4 -3.98E-4 -0.01 0.677 0.00748 0.24 -0.0514979114452803 -0.0477457627118644 -1.44652374819486 -0.7014 -0.4782 3554993 ACon1_000981 COc1cc(O)cc(c1)C2=C(C)CC(O)C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 A24 compound treatment -0.0333 -0.0344 -0.96 0.641 -0.0285 -0.93 -0.0514979114452804 -0.0477457627118645 -1.44652374819487 -1.9263 -0.978 3552069 ACon1_000982 C/C=C/C=C/C(=O)C1=C(O)[C@]2(C)C3C(=C(O)C4(C)C1[C@]5(C)O[C@@]4(O)[C@@]3(C)O[C@@]52O)C(=O)\C=C\C=C\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B01 compound treatment -0.0853 -0.0864 -2.42 0.642 -0.0275 -0.89 -0.00949791144528035 -0.00574576271186441 -0.174075807823237 -2.014 -0.7787 3558240 ACon1_000983 C[C@@H]1O[C@@H](Oc2ccc3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B02 compound treatment -0.0473 -0.0484 -1.36 0.582 -0.0875 -2.84 -0.0484979114452804 -0.0447457627118645 -1.35563460959689 -3.2053 -0.9353 3554879 ACon1_000984 COc1cc(ccc1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)Cc4cc(OC)c(O)cc24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B03 compound treatment -0.0223 -0.0234 -0.65 0.674 0.00448 0.15 -0.0104979114452803 -0.00674576271186436 -0.204372187355894 -0.4121 -0.5876 3559896 ACon1_000985 COc1ccc(cc1OC)c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B04 compound treatment -0.0613 -0.0624 -1.75 0.633 -0.0365 -1.19 -0.0274979114452804 -0.0237457627118645 -0.71941063941108 -2.1096 -0.9451 2060503 ACon1_000986 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@@H](OC[C@H]34)c5ccc6OCOc6c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B05 compound treatment -0.0673 -0.0684 -1.92 0.582 -0.0875 -2.84 -0.0104979114452803 -0.00674576271186436 -0.204372187355894 -2.8644 -0.8345 3557603 ACon1_000987 CC1(CCCC2(C)C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B06 compound treatment -0.0403 -0.0414 -1.16 0.66 -0.00952 -0.31 -0.0514979114452804 -0.0477457627118645 -1.44652374819487 -1.6836 -0.8955 3559134 ACon1_000988 Oc1ccc(cc1O)C2CC(=O)c3ccc(O)c(O)c3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B07 compound treatment -0.1489 -0.15 -4.21 0.539 -0.131 -4.24 -0.0274979114452804 -0.0237457627118645 -0.71941063941108 -5.289 -0.8797 3558984 ACon1_000989 C/C(=C\CCC1(C)C2CC3C(C2)C31C)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B08 compound treatment -0.0683 -0.0694 -1.94 0.615 -0.0545 -1.77 -0.00349791144528035 2.5423728813559E-4 0.00770246937270951 -2.1398 -0.8139 3559662 ACon1_000990 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B09 compound treatment -0.0013 -0.0024 -0.07 0.6 -0.0695 -2.26 -0.00549791144528035 -0.00174576271186441 -0.0528902896926061 -1.3719 -0.6077 3554161 ACon1_000991 CCC(C)CC(C)/C=C(\C)/[C@H]1OC2=C([C@@H](O)[C@@H]1O)C(=C)N(OC)C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B10 compound treatment -0.0723 -0.0734 -2.06 0.656 -0.0135 -0.44 -0.00949791144528035 -0.00574576271186441 -0.174075807823237 -1.5412 -0.7304 3558358 ACon1_000992 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)OC(=O)/C=C/c5ccc(O)cc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B11 compound treatment -0.0043 -0.0054 -0.15 0.611 -0.0585 -1.9 -0.00949791144528035 -0.00574576271186441 -0.174075807823237 -1.2844 -0.6713 3558976 ACon1_000993 COc1ccc(cc1)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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B12 compound treatment -0.0393 -0.0404 -1.13 0.622 -0.0475 -1.54 -0.0834979114452804 -0.0797457627118645 -2.41600789323992 -2.9392 -0.9537 2102488 ACon1_000994 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B13 mock treatment -0.0873 -0.0884 -2.48 0.683 0.0135 0.44 -0.0144979114452804 -0.0107457627118645 -0.325557705486528 -1.3656 -0.5384 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B14 mock treatment -0.0163 -0.0174 -0.49 0.646 -0.0235 -0.76 -0.0444979114452804 -0.0407457627118645 -1.23444909146626 -1.4356 -0.9374 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B15 compound treatment -0.0773 -0.0784 -2.2 0.585 -0.0845 -2.74 -0.10049791144528 -0.0967457627118641 -2.93104634529509 -4.5449 -0.9931 3559076 ACon1_000995 CC1C2C(CC3C4CC=C5C[C@@H](O)CC(O)[C@]5(C)C4CC[C@]23C)OC61CCC(C)CO6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B16 compound treatment -0.0693 -0.0704 -1.97 0.577 -0.0925 -3.0 -0.0734979114452804 -0.0697457627118645 -2.11304409791334 -4.0931 -0.9819 3558644 ACon1_000996 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(cc(=O)oc3c1)c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B17 compound treatment -0.0123 -0.0134 -0.38 0.669 -5.17E-4 -0.02 -0.0614979114452804 -0.0577457627118645 -1.74948754352145 -1.2366 -0.6911 3559113 ACon1_000997 Cc1c(O)c(C)c2oc(cc(=O)c2c1O)c3ccccc3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B18 compound treatment -0.0083 -0.0094 -0.26 0.662 -0.00752 -0.24 -0.0384979114452804 -0.0347457627118645 -1.05267081427032 -0.9007 -0.8098 3559079 ACon1_000998 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(C=C)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B19 compound treatment -0.0263 -0.0274 -0.77 0.674 0.00448 0.15 -0.0264979114452804 -0.0227457627118645 -0.689114259878422 -0.7574 -0.7267 3558382 ACon1_000999 C[C@@H]1OC(O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@@H](OCCc4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B20 compound treatment -0.0553 -0.0564 -1.58 0.669 -5.17E-4 -0.02 -0.00149791144528034 0.0022542372881356 0.0682952284380254 -0.8825 -0.558 3559123 ACon1_001000 O[C@@]12CO[C@@H]([C@H]2CO[C@@H]1c3ccc4OCOc4c3)c5ccc6OCOc6c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B21 compound treatment 0.0127 0.0116 0.33 0.649 -0.0205 -0.67 -0.0954979114452803 -0.0917457627118644 -2.77956444763181 -1.8014 -0.6262 3559488 ACon1_001001 C/C=C(\COC(=O)C)/C(=O)O[C@@H]1CC2(C)OC(=CC2=O)\C(=C/[C@@H]3OC(=O)C(=C)C31)\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B22 compound treatment -0.0423 -0.0434 -1.22 0.659 -0.0105 -0.34 -0.0144979114452804 -0.0107457627118645 -0.325557705486528 -1.0875 -0.8334 3553151 ACon1_001002 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B23 compound treatment -0.0373 -0.0384 -1.08 0.665 -0.00452 -0.15 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.7367 -0.6773 3552728 ACon1_001003 C[C@@H]1CCC2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCC(=CCO)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 B24 compound treatment 0.0077 0.00664 0.19 0.676 0.00648 0.21 0.0035020885547196 0.00725423728813554 0.219777126101313 0.3559 0.9976 329 ACon1_001004 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C01 compound treatment 0.0167 0.0156 0.44 0.679 0.00948 0.31 0.0105020885547197 0.0142542372881356 0.43185178282992 0.6802 0.9885 3614681 ACon1_001005 CO[C@H]1C(=O)Nc2ccc(/C=C/C(=C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C02 compound treatment 0.0077 0.00664 0.19 0.676 0.00648 0.21 0.00550208855471964 0.00925423728813558 0.28036988516663 0.3909 0.9847 3558734 ACon1_001006 CC1(C)C2CC[C@]3(CC4CC[C@H]3[C@]2(C)CCC1=O)C[C@@]4(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C03 compound treatment 0.0167 0.0156 0.44 0.687 0.0175 0.57 0.0175020885547197 0.0212542372881356 0.643926439558525 0.9526 0.9883 3553883 ACon1_001007 CC1(C)Oc2c(CCO)c3occ(c4ccc(O)c(O)c4)c(=O)c3c(O)c2C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C04 compound treatment 0.0037 0.0026 0.07 0.673 0.00348 0.11 -4.979114452804E-4 0.00325423728813554 0.0985916079706815 0.1643 0.9851 3555922 ACon1_001008 OC1C(O)C(COC(=O)CC2(O)C=CC(=O)C=C2)OC(OC(=O)CC3(O)C=CC(=O)C=C3)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C05 compound treatment 0.0057 0.00464 0.13 0.676 0.00648 0.21 -0.00349791144528034 2.542372881356E-4 0.00770246937270981 0.2011 0.8123 3552112 ACon1_001009 C/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C3[C@H]1CC(=O)OC[C@@H]4[C@@H](C)[C@@H](C[C@H]4C(C)CO)OC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C06 compound treatment 0.0107 0.0096 0.27 0.688 0.0185 0.6 0.0185020885547197 0.0222542372881356 0.674222819091183 0.891 0.9461 3558787 ACon1_001010 C[C@@H]1O[C@@H](OCC2OC(OC3C(O)C(O)C(CO)OC3OC4C(O)C(O)C(CO)OC4Oc5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)c(O)c7)C(O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C07 compound treatment 0.0167 0.0156 0.44 0.688 0.0185 0.6 0.0175020885547197 0.0212542372881356 0.643926439558525 0.9706 0.9877 3558850 ACon1_001011 C[C@@H]1C(=O)[C@@H](O)[C@]2(COC(=O)C)[C@H](CCC[C@@]32CO3)[C@]41CC(OC4OC(=O)C)c5ccoc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C08 compound treatment 0.0027 0.0016 0.04 0.674 0.00448 0.15 0.0105020885547197 0.0142542372881356 0.43185178282992 0.3593 0.7846 3558834 ACon1_001012 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C09 compound treatment 0.0137 0.0126 0.35 0.684 0.0145 0.47 0.0135020885547197 0.0172542372881356 0.522740921427894 0.7772 0.9878 3554277 ACon1_001013 CCCCCC1CC(O)C(O)C(CC(=O)OC(CCC)CCCC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2NC(=O)C)OC(=O)CC(C)(O)CC(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C10 compound treatment 0.0187 0.0176 0.49 0.687 0.0175 0.57 0.0175020885547197 0.0212542372881356 0.643926439558525 0.9849 0.9943 3558858 ACon1_001014 CC1OC(OC2C(O)C(C)OC(OCC3OC(OC4C(C)OC(Oc5cc(O)c6c(=O)c(O)c(oc6c5)c7ccc(O)c(O)c7)C(O)C4O)C(O)C(O)C3OC(=O)/C=C/c8ccc(O)cc8)C2O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C11 mock treatment 0.0097 0.00864 0.24 0.681 0.0115 0.37 0.0105020885547197 0.0142542372881356 0.43185178282992 0.6044 0.9752 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C12 mock treatment 0.0067 0.0056 0.16 0.679 0.00948 0.31 0.00550208855471965 0.00925423728813559 0.28036988516663 0.4302 0.9669 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C13 compound treatment 0.0157 0.0146 0.41 0.685 0.0155 0.5 0.0185020885547197 0.0222542372881356 0.674222819091183 0.9157 0.9791 3558742 ACon1_001015 CC1=CCC2[C@](C)(CCC[C@]2(C)[C@H]1CCc3ccoc3)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C14 compound treatment 0.0117 0.0106 0.3 0.685 0.0155 0.5 0.0125020885547197 0.0162542372881356 0.492444541895236 0.7467 0.9771 3558795 ACon1_001016 CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C15 mock treatment 0.0057 0.0046 0.13 0.682 0.0125 0.41 0.00750208855471965 0.0112542372881356 0.340962644231946 0.5053 0.9271 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C16 mock treatment 0.0037 0.0026 0.07 0.681 0.0115 0.37 0.00550208855471965 0.00925423728813559 0.28036988516663 0.4192 0.888 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C17 compound treatment 0.0087 0.0076 0.21 0.681 0.0115 0.37 0.0115020885547197 0.0152542372881356 0.462148162362578 0.605 0.9592 3558891 ACon1_001017 CCCC1CCCCCCCCCC(=O)OC2C(OC3OC(CO)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4OC(=O)C(C)CC)C(O)C3O)C(O)C(C)OC2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C18 compound treatment 0.0037 0.0026 0.07 0.674 0.00448 0.15 -0.00949791144528035 -0.00574576271186441 -0.174075807823237 0.0256 0.1075 3558933 ACon1_001018 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@H]1O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@]76C)C(=O)O)C4(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C19 compound treatment 0.0197 0.0186 0.52 0.689 0.0195 0.63 0.0175020885547197 0.0212542372881356 0.643926439558525 1.0373 0.9957 3614691 ACon1_001019 CC1CC(=O)c2c(C1)ccc3C(=O)c4cccc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)c4C(=O)c32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C20 compound treatment 0.0077 0.0066 0.19 0.68 0.0105 0.34 -0.00249791144528035 0.00125423728813559 0.0379988489053673 0.3252 0.8357 3553736 ACon1_001020 CC(NC(=O)c1ccccc1N)C(=O)N 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C21 compound treatment -3.0E-4 -0.0014 -0.04 0.68 0.0105 0.34 0.0115020885547197 0.0152542372881356 0.462148162362578 0.4406 0.766 3558991 ACon1_001021 CCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C22 compound treatment 0.0047 0.0036 0.1 0.672 0.00248 0.08 -0.00149791144528034 0.0022542372881356 0.0682952284380254 0.1443 0.9871 3559021 ACon1_001022 CC(=C)C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)/C=C(\CO)/CC/C=C(/C=O)\[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C23 compound treatment -0.0043 -0.00544 -0.15 0.666 -0.00352 -0.11 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.1845 -0.9332 1102980 ACon1_001023 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4cc5OCOc5cc24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 C24 compound treatment 0.0107 0.0096 0.27 0.678 0.00848 0.28 0.0105020885547197 0.0142542372881356 0.43185178282992 0.5637 0.9743 3552625 ACon1_001024 C[C@@H]1C[C@@H](O)[C@]23CO[C@]3(CO)CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D01 compound treatment 0.0087 0.00764 0.21 0.671 0.00148 0.05 0.0105020885547197 0.0142542372881356 0.43185178282992 0.4008 0.8273 3558448 ACon1_001025 O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D02 compound treatment -0.0113 -0.0124 -0.35 0.657 -0.0125 -0.41 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.4833 -0.8931 1035250 ACon1_001026 CC(=O)c1c(O)cc(O)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D03 compound treatment 0.0067 0.00564 0.16 0.674 0.00448 0.15 -0.00649791144528035 -0.00274576271186441 -0.083186669225264 0.1273 0.5524 3558681 ACon1_001027 CC(C)C1CCC(C)(O)C2CCC(C21)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D04 compound treatment 0.0127 0.0116 0.33 0.667 -0.00252 -0.08 0.0135020885547197 0.0172542372881356 0.522740921427894 0.4424 0.7124 3559064 ACon1_001028 COc1cc2OC(C)(C)C=Cc2c3O[C@H](CC(=O)c13)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D05 compound treatment 0.0027 0.0016 0.04 0.687 0.0175 0.57 -0.00849791144528034 -0.0047457627118644 -0.143779428290579 0.2705 0.4608 3558585 ACon1_001029 COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D06 compound treatment -0.0033 -0.0044 -0.12 0.656 -0.0135 -0.44 -0.00749791144528035 -0.00374576271186441 -0.113483048757922 -0.39 -0.8305 3555816 ACon1_001030 OC(=O)C(CCCCCCCCC=C)C1(CCC(=O)O1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D07 compound treatment 0.0087 0.0076 0.21 0.686 0.0165 0.53 0.00550208855471966 0.0092542372881356 0.28036988516663 0.5938 0.9271 3557965 ACon1_001031 COc1cc2oc(c(OC)c(=O)c2c(O)c1OC)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D08 compound treatment 0.0167 0.0156 0.44 0.678 0.00848 0.28 0.0115020885547196 0.0152542372881355 0.462148162362575 0.6783 0.9783 3559355 ACon1_001032 COc1cc(CC(CO)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc3cc(OC)c(O)c(OC)c3)cc(OC)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D09 compound treatment -0.0033 -0.0044 -0.12 0.672 0.00248 0.08 5.02088554719641E-4 0.00425423728813558 0.128887987503341 0.0497 0.2541 3558973 ACon1_001033 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D10 compound treatment -0.0073 -0.0084 -0.24 0.66 -0.00952 -0.31 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.3623 -0.9121 3554278 ACon1_001034 CCCCCC1OC2=C(C(O)C1(C)O)C(=O)N(OC)C2CSCC(O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D11 mock treatment 0.0127 0.0116 0.33 0.69 0.0205 0.66 0.0205020885547197 0.0242542372881356 0.734815578156499 0.9958 0.9549 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D12 mock treatment 0.0087 0.0076 0.21 0.684 0.0145 0.47 -0.0114979114452803 -0.00774576271186436 -0.234668566888552 0.2589 0.4567 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D13 compound treatment -0.0013 -0.0024 -0.07 0.678 0.00848 0.28 0.00450208855471964 0.00825423728813558 0.250073505633972 0.2645 0.6998 3558978 ACon1_001035 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(C)C(O)CCC12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D14 compound treatment 0.0177 0.0166 0.46 0.686 0.0165 0.53 0.0255020885547197 0.0292542372881356 0.886297475819788 1.0886 0.9595 3558688 ACon1_001036 CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D15 mock treatment -0.0023 -0.00344 -0.1 0.672 0.00248 0.08 0.00150208855471964 0.00525423728813558 0.159184367035998 0.0828 0.4082 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D16 mock treatment 0.0157 0.0146 0.41 0.686 0.0165 0.53 0.0125020885547197 0.0162542372881356 0.492444541895236 0.8295 0.9941 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D17 compound treatment 0.0037 0.0026 0.07 0.681 0.0115 0.37 -0.00349791144528034 2.542372881356E-4 0.00770246937270981 0.2617 0.6891 3559116 ACon1_001037 OC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)/C=C/c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D18 compound treatment 0.0107 0.0096 0.27 0.686 0.0165 0.53 0.00350208855471966 0.0072542372881356 0.219777126101315 0.5912 0.9267 3558901 ACon1_001038 O[C@@H](CCc1ccccc1)CC(=O)CCc2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D19 compound treatment 0.0057 0.0046 0.13 0.684 0.0145 0.47 -0.0914979114452803 -0.0877457627118644 -2.65837892950118 -1.189 -0.4399 3554848 ACon1_001039 COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D20 compound treatment -0.0013 -0.0024 -0.07 0.678 0.00848 0.28 0.00550208855471965 0.00925423728813559 0.28036988516663 0.282 0.7074 3559313 ACon1_001040 COC(=O)C[C@H]1/C(=C/COC(=O)\C=C\c2ccccc2)/[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D21 compound treatment 0.0127 0.0116 0.33 0.662 -0.00752 -0.24 -0.00149791144528034 0.0022542372881356 0.0682952284380254 0.0864 0.2095 3552014 ACon1_001041 C/C=C(/C)\C(=O)O[C@H]1C(=C)[C@@H]2C[C@]31CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@]3(O)CC2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D22 compound treatment 0.0067 0.0056 0.16 0.664 -0.00552 -0.18 0.00850208855471965 0.0122542372881356 0.371259023764603 0.2016 0.4572 3559586 ACon1_001042 CC(=O)OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CC\C(=C\CC1)\CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D23 compound treatment -0.0033 -0.0044 -0.12 0.683 0.0135 0.44 0.0135020885547197 0.0172542372881356 0.522740921427894 0.4832 0.6976 3554758 ACon1_001043 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(O)CC(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 D24 compound treatment 0.0207 0.0196 0.55 0.685 0.0155 0.5 0.0235020885547197 0.0272542372881356 0.825704716754472 1.0835 0.9749 3557336 ACon1_001044 CC(O)CC1=CC(OC1=O)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E01 mock treatment 0.0057 0.0046 0.13 0.675 0.00548 0.18 0.0165020885547197 0.0202542372881356 0.613630060025867 0.5315 0.8154 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E02 mock treatment 0.0157 0.0146 0.41 0.653 -0.0165 -0.54 0.0145020885547197 0.0182542372881356 0.553037300960552 0.2462 0.2822 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E03 compound treatment -0.0123 -0.0134 -0.38 0.672 0.00248 0.08 0.0185020885547197 0.0222542372881356 0.674222819091183 0.2189 0.2821 3553538 ACon1_001045 CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E04 compound treatment -0.0423 -0.0434 -1.22 0.659 -0.0105 -0.34 0.00650208855471965 0.0102542372881356 0.310666264699288 -0.7195 -0.5534 3555006 ACon1_001046 COc1cc(OC)c2C(=O)OC(C)Cc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E05 compound treatment 0.0147 0.0136 0.38 0.666 -0.00352 -0.11 0.0205020885547197 0.0242542372881356 0.734815578156499 0.5779 0.6919 3558819 ACon1_001047 O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](O)CC2=C)C1=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E06 compound treatment -0.0243 -0.0254 -0.71 0.642 -0.0275 -0.89 -0.0034979114452803 2.5423728813564E-4 0.00770246937271103 -0.9216 -0.8074 3614704 ACon1_001048 Cc1c(O)cc2C(=O)C(O)(CCCO)OCc2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E07 compound treatment 0.0087 0.00756 0.21 0.641 -0.0285 -0.93 -0.0124979114452803 -0.00874576271186436 -0.264964946421209 -0.5649 -0.5731 3558866 ACon1_001049 C[C@@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)c3c(O)cc4oc(cc(=O)c4c3O)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E08 compound treatment -0.0023 -0.0034 -0.1 0.631 -0.0385 -1.25 5.02088554719649E-4 0.00425423728813559 0.128887987503341 -0.7023 -0.5573 3558836 ACon1_001050 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E09 mock treatment 0.0117 0.0106 0.3 0.63 -0.0395 -1.28 5.02088554719659E-4 0.0042542372881356 0.128887987503341 -0.4951 -0.3744 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E10 mock treatment 0.0177 0.0166 0.46 0.638 -0.0315 -1.02 -0.0074979114452803 -0.00374576271186436 -0.11348304875792 -0.388 -0.3436 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E11 compound treatment -0.0213 -0.0224 -0.63 0.668 -0.00152 -0.05 0.0105020885547197 0.0142542372881356 0.43185178282992 -0.1417 -0.1855 3558576 ACon1_001051 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)C(C)(C)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E12 compound treatment -0.0493 -0.0504 -1.41 0.619 -0.0505 -1.64 -0.0374979114452803 -0.0337457627118644 -1.02237443473765 -2.352 -0.9828 3558478 ACon1_001052 CC(C)(O)c1cc(O)c2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E13 compound treatment -0.0393 -0.0404 -1.13 0.602 -0.0675 -2.19 -0.0334979114452803 -0.0297457627118644 -0.901188916607023 -2.4393 -0.9289 3558756 ACon1_001053 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCC(C)[C@@H]3C[C@H]4OC(=O)C5=CO[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)/C(=C/C)/[C@@H]5CC(=O)OC[C@@H]3[C@H]4C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E14 compound treatment -0.0313 -0.0324 -0.91 0.605 -0.0645 -2.09 -0.0544979114452804 -0.0507457627118645 -1.53741288679284 -2.6217 -0.9525 1859 ACon1_001054 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E15 compound treatment 0.0077 0.00656 0.18 0.682 0.0125 0.41 -0.0044979114452803 -7.4576271186436E-4 -0.0225939101599468 0.3271 0.7341 3558832 ACon1_001055 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1)\CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E16 compound treatment -0.0263 -0.0274 -0.77 0.665 -0.00452 -0.15 -0.0134979114452804 -0.00974576271186446 -0.29526132595387 -0.698 -0.836 3555940 ACon1_001056 OC1CCC(=O)C(O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E17 mock treatment 0.0217 0.0206 0.58 0.635 -0.0345 -1.12 -0.0024979114452803 0.00125423728813564 0.0379988489053689 -0.292 -0.2317 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E18 mock treatment -0.0143 -0.0154 -0.43 0.628 -0.0415 -1.35 -0.0124979114452803 -0.00874576271186436 -0.264964946421209 -1.1795 -0.8196 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E19 compound treatment 0.0037 0.00256 0.07 0.625 -0.0445 -1.44 -0.0184979114452803 -0.0147457627118644 -0.446743223617156 -1.0506 -0.6939 3557853 ACon1_001057 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC43C)C(=O)O)C2C1(C)O)C(=O)OC6OC(CO)C(O)C(O)C6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E20 compound treatment -0.0213 -0.0224 -0.63 0.673 0.00348 0.11 0.0145020885547197 0.0182542372881356 0.553037300960552 0.0226 0.0268 3558986 ACon1_001058 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E21 compound treatment 0.0097 0.00856 0.24 0.639 -0.0305 -0.99 -0.0204979114452803 -0.0167457627118644 -0.507335982682472 -0.7261 -0.6379 3559000 ACon1_001059 CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E22 compound treatment 0.0077 0.0066 0.19 0.669 -5.17E-4 -0.02 -0.0384979114452804 -0.0347457627118645 -1.05267081427032 -0.5106 -0.4776 3559026 ACon1_001060 CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)C(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E23 compound treatment 0.0127 0.0116 0.33 0.682 0.0125 0.41 0.00450208855471966 0.0082542372881356 0.250073505633972 0.5661 0.9818 3558682 ACon1_001061 CC(C)c1ccc2c(c1)C(O)CC3C(C)(CO)CCCC32C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 E24 compound treatment -3.0E-4 -0.0014 -0.04 0.656 -0.0135 -0.44 -0.00349791144528036 2.5423728813558E-4 0.0077024693727092 -0.2715 -0.6162 3552689 ACon1_001062 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F01 mock treatment -0.0663 -0.0674 -1.89 0.5 -0.17 -5.5 -0.13949791144528 -0.135745762711864 -4.11260514706874 -6.6411 -0.9322 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F02 mock treatment -0.1133 -0.114 -3.21 0.539 -0.131 -4.24 -0.16849791144528 -0.164745762711864 -4.99120015351582 -7.179 -0.9848 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F03 compound treatment -0.0123 -0.0134 -0.38 0.61 -0.0595 -1.93 0.00650208855471965 0.0102542372881356 0.310666264699288 -1.1527 -0.5786 3558778 ACon1_001063 Oc1ccc(/C=C/c2cc(O)cc(O)c2)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F04 compound treatment 0.0057 0.0046 0.13 0.495 -0.175 -5.66 -0.0894979114452803 -0.0857457627118644 -2.59778617043586 -4.6954 -0.7534 3559033 ACon1_001064 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F05 compound treatment -0.1609 -0.162 -4.54 0.664 -0.00552 -0.18 -0.12849791144528 -0.124745762711864 -3.77934497220951 -4.907 -0.8302 425 ACon1_001065 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F06 compound treatment -0.1129 -0.114 -3.2 0.693 0.0235 0.76 5.02088554719649E-4 0.00425423728813559 0.128887987503341 -1.3309 -0.4047 3559139 ACon1_001066 C[C@]1(CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CCC12)C(=O)C4=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F07 compound treatment -0.0903 -0.0914 -2.56 0.536 -0.134 -4.33 -0.10649791144528 -0.102745762711864 -3.11282462249104 -5.7778 -0.9762 3558995 ACon1_001067 CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F08 compound treatment -0.1189 -0.12 -3.36 0.685 0.0155 0.5 -0.08949791144528 -0.0857457627118641 -2.59778617043585 -3.1522 -0.7365 3557648 ACon1_001068 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc(O)c(O)c2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F09 mock treatment -0.1479 -0.149 -4.18 0.532 -0.138 -4.46 -0.12549791144528 -0.121745762711864 -3.68845583361153 -7.1181 -0.997 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F10 mock treatment -0.0013 -0.0024 -0.07 0.579 -0.0905 -2.94 -0.0984979114452803 -0.0947457627118644 -2.87045358622978 -3.3922 -0.8258 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F11 compound treatment -0.1659 -0.167 -4.68 0.461 -0.209 -6.77 -0.13249791144528 -0.128745762711864 -3.90053049034014 -8.8617 -0.9731 3558481 ACon1_001069 COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F12 compound treatment -0.1649 -0.166 -4.65 0.665 -0.00452 -0.15 -0.13349791144528 -0.129745762711864 -3.9308268698728 -5.0405 -0.8273 3557470 ACon1_001070 CCc1cc(O)c(C)c(O)c1C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F13 compound treatment -0.1729 -0.174 -4.88 0.675 0.00548 0.18 -0.12749791144528 -0.123745762711864 -3.74904859267685 -4.8777 -0.7926 3559015 ACon1_001071 Oc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)c([C@H]4[C@@H](Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6)c3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F14 compound treatment 0.0287 0.0276 0.77 0.509 -0.161 -5.21 -0.08949791144528 -0.0857457627118641 -2.59778617043585 -4.0607 -0.6915 3555967 ACon1_001072 OCC1OC(OC(CCc2ccccc2)CC(=O)O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F15 compound treatment -0.0563 -0.0574 -1.61 0.55 -0.12 -3.88 -0.0464979114452803 -0.0427457627118644 -1.29504185053158 -3.9163 -0.8912 3557355 ACon1_001073 CCCC[C@@H](O)c1cc(OC)cc(=O)o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F16 compound treatment -0.0919 -0.093 -2.61 0.455 -0.215 -6.96 -0.09249791144528 -0.0887457627118641 -2.68867530903383 -7.0772 -0.8952 3558989 ACon1_001074 CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F17 mock treatment -0.1059 -0.107 -3.0 0.52 -0.15 -4.85 -0.09949791144528 -0.0957457627118641 -2.90074996576243 -6.2083 -0.97 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F18 mock treatment 0.0167 0.0156 0.44 0.445 -0.225 -7.29 -0.0624979114452803 -0.0587457627118644 -1.7797839230541 -4.9826 -0.6632 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F19 compound treatment 0.0117 0.0106 0.3 0.566 -0.104 -3.36 -0.0594979114452803 -0.0557457627118644 -1.68889478445613 -2.7431 -0.7272 3559597 ACon1_001075 COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F20 compound treatment -0.0723 -0.0734 -2.06 0.578 -0.0915 -2.97 -0.0464979114452804 -0.0427457627118645 -1.29504185053158 -3.65 -0.951 3552025 ACon1_001076 C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1\C=C\[C@H](O)[C@H](C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F21 compound treatment 0.0107 0.0096 0.27 0.52 -0.15 -4.85 -0.0814979114452803 -0.0777457627118644 -2.3554151341746 -4.0061 -0.7418 3553341 ACon1_001077 CC(=O)O[C@@H]1CC2[C@@]3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CC[C@@]2(C)[C@]4(C)CCC(O)(C14)[C@]5(C)CCC(O5)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F22 compound treatment -0.0843 -0.0854 -2.39 0.528 -0.142 -4.59 -0.0564979114452803 -0.0527457627118644 -1.59800564585815 -4.956 -0.9144 3555308 ACon1_001078 COc1cccc2C(=O)c3c(ccc4CC(C)(O)CC(=O)c43)C(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F23 compound treatment -0.0053 -0.00644 -0.18 0.659 -0.0105 -0.34 -0.0954979114452804 -0.0917457627118645 -2.77956444763181 -1.9061 -0.6792 3559897 ACon1_001079 CC(=CCc1c(O)cc(O)c2c(=O)cc(oc12)c3ccc(O)cc3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 F24 compound treatment 0.0227 0.0216 0.6 0.69 0.0205 0.66 0.0205020885547197 0.0242542372881356 0.734815578156499 1.1571 0.9968 3558760 ACon1_001080 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@@H](O)C[C@@]31O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G01 compound treatment 0.0037 0.00264 0.07 0.669 -5.17E-4 -0.02 -0.00149791144528035 0.00225423728813559 0.0682952284380252 0.0725 0.7098 3558179 ACon1_001081 COc1cc(CCCO)cc2C(COC3OC(CO)C(O)C(O)C3O)C(Oc21)c4ccc(OC)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G02 compound treatment -0.0443 -0.0454 -1.27 0.625 -0.0445 -1.44 -0.0304979114452804 -0.0267457627118645 -0.810299778009053 -2.0368 -0.975 3554828 ACon1_001082 COc1cc(c(O)c(O)c1c2ccccc2)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G03 mock treatment 0.0157 0.0146 0.41 0.685 0.0155 0.5 0.0135020885547196 0.0172542372881355 0.522740921427891 0.8289 0.9948 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G04 mock treatment 0.0167 0.0156 0.44 0.687 0.0175 0.57 0.0105020885547196 0.0142542372881355 0.431851782829917 0.8301 0.9916 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G05 compound treatment 0.0267 0.0256 0.72 0.717 0.0475 1.54 0.0285020885547197 0.0322542372881356 0.977186614417761 1.8677 0.9527 3555886 ACon1_001083 OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c5ccc(O)c(O)c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G06 compound treatment 0.0297 0.0286 0.8 0.701 0.0315 1.02 0.0225020885547197 0.0262542372881356 0.795408337221814 1.5115 0.9928 3614713 ACon1_001084 CC1CC(O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G07 compound treatment 0.0267 0.0256 0.72 0.696 0.0265 0.86 0.0285020885547197 0.0322542372881356 0.977186614417761 1.4742 0.9923 3558875 ACon1_001085 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3CC=C(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G08 compound treatment 0.0237 0.0226 0.63 0.695 0.0255 0.83 0.0185020885547197 0.0222542372881356 0.674222819091183 1.2326 0.9932 3558860 ACon1_001086 C/C(=C\CCC(C)(O)C=C)/C(=O)OCC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G09 compound treatment 0.0297 0.0286 0.8 0.701 0.0315 1.02 0.0305020885547197 0.0342542372881356 1.03777937348308 1.6514 0.9936 3558972 ACon1_001087 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G10 compound treatment -0.0363 -0.0374 -1.05 0.664 -0.00552 -0.18 -0.0144979114452804 -0.0107457627118645 -0.325557705486528 -0.8974 -0.8059 3557781 ACon1_001088 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G11 compound treatment -3.0E-4 -0.0014 -0.04 0.687 0.0175 0.57 0.0125020885547197 0.0162542372881356 0.492444541895236 0.5893 0.7833 1105254 ACon1_001089 CC12CCC3C4(C)C=CC(=O)C(C)(C)C4CC(O)C3(C)C2=CCC1c5ccoc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G12 compound treatment 0.0297 0.0286 0.8 0.7 0.0305 0.99 0.0295020885547197 0.0332542372881356 1.00748299395042 1.6158 0.9951 3558250 ACon1_001090 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2Oc3cc4oc(=O)ccc4cc3[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G13 compound treatment 0.0207 0.0196 0.55 0.688 0.0185 0.6 0.0165020885547197 0.0202542372881356 0.613630060025867 1.0173 0.9989 3553160 ACon1_001091 C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)C4CC[C@]23C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G14 compound treatment 0.0207 0.0196 0.55 0.691 0.0215 0.7 0.0105020885547197 0.0142542372881356 0.43185178282992 0.9685 0.9817 3558272 ACon1_001092 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O)OC(=O)/C=C/c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G15 compound treatment 0.0307 0.0296 0.83 0.7 0.0305 0.99 0.0295020885547197 0.0332542372881356 1.00748299395042 1.6314 0.9964 3558437 ACon1_001093 CO[C@@H]1CC(OC2CCC3(C)C(CCC4(CCC(C5=CC(=O)OC5)C6(C)CCC34)C6=O)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G16 compound treatment 0.0027 0.0016 0.04 0.68 0.0105 0.34 0.00850208855471965 0.0122542372881356 0.371259023764603 0.4367 0.8638 3559145 ACon1_001094 CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G17 compound treatment 0.0267 0.0256 0.72 0.698 0.0285 0.92 0.0265020885547197 0.0302542372881356 0.916593855352446 1.4767 0.9937 3557962 ACon1_001095 OC[C@H]1O[C@@H](O[C@@H]2OC=CC3C(O)C=C(COC(=O)c4ccccc4)C32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G18 compound treatment 0.0237 0.0226 0.63 0.694 0.0245 0.79 0.0245020885547197 0.0282542372881356 0.85600109628713 1.3195 0.9926 3558116 ACon1_001096 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G19 mock treatment 0.0107 0.0096 0.27 0.678 0.00848 0.28 0.00950208855471965 0.0132542372881356 0.401555403297261 0.5462 0.9818 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G20 mock treatment 7.0E-4 -3.98E-4 -0.01 0.69 0.0205 0.66 0.0195020885547197 0.0232542372881356 0.704519198623841 0.7841 0.8094 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G21 compound treatment 0.0187 0.0176 0.49 0.687 0.0175 0.57 0.0255020885547197 0.0292542372881356 0.886297475819788 1.1249 0.9674 3554700 ACon1_001097 COC(=O)c1cc(CO)cc(O)c1C(=O)c2c(O)cccc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G22 compound treatment 0.0127 0.0116 0.33 0.685 0.0155 0.5 0.0165020885547197 0.0202542372881356 0.613630060025867 0.8322 0.9708 3558581 ACon1_001098 C[C@@]1(CCC[C@]2(C)C3CCC4CC3(CCC12)C=C4CO)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G23 compound treatment 0.0157 0.0146 0.41 0.687 0.0175 0.57 0.0185020885547197 0.0222542372881356 0.674222819091183 0.9532 0.981 3555287 ACon1_001099 COc1ccc2c(C=O)c(oc2c1)c3ccc(OC)c(O)c3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 G24 compound treatment 0.0117 0.0106 0.3 0.68 0.0105 0.34 0.0135020885547196 0.0172542372881355 0.522740921427891 0.6705 0.9698 1787154 ACon1_001100 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H01 compound treatment 0.0047 0.0036 0.1 0.677 0.00748 0.24 0.00950208855471965 0.0132542372881356 0.401555403297261 0.4304 0.8965 3558364 ACon1_001101 CCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H02 compound treatment 0.0257 0.0246 0.69 0.692 0.0225 0.73 0.0255020885547197 0.0292542372881356 0.886297475819788 1.3312 0.994 3558698 ACon1_001102 CC(=O)OC/C=C(\CO)/CC/C=C(\C)/CC/C=C(\CC/C=C(\C)/COC(=O)C)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H03 mock treatment 0.0027 0.0016 0.04 0.675 0.00548 0.18 0.00650208855471965 0.0102542372881356 0.310666264699288 0.308 0.8537 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H04 mock treatment -3.0E-4 -0.0014 -0.04 0.685 0.0155 0.5 0.0135020885547196 0.0172542372881355 0.522740921427891 0.5693 0.784 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H05 compound treatment 0.0177 0.0166 0.46 0.695 0.0255 0.83 0.0215020885547197 0.0252542372881356 0.765111957689156 1.1873 0.9743 3558811 ACon1_001103 COc1cc(/C=C/C=O)cc(OC)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H06 compound treatment 0.0157 0.0146 0.41 0.685 0.0155 0.5 0.0165020885547197 0.0202542372881356 0.613630060025867 0.8808 0.9868 3559864 ACon1_001104 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(Cc5c4nc6ccccc6c5O)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H07 compound treatment 0.0527 0.0516 1.45 0.701 0.0315 1.02 0.0335020885547197 0.0372542372881356 1.12866851208105 2.0762 0.9889 3557308 ACon1_001105 CCCCCCCCC(C(O)CC(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H08 compound treatment -0.0083 -0.0094 -0.26 0.666 -0.00352 -0.11 -4.979114452804E-4 0.00325423728813554 0.0985916079706815 -0.1611 -0.5306 1001923 ACon1_001106 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H09 compound treatment 0.0147 0.0136 0.38 0.685 0.0155 0.5 -0.00649791144528035 -0.00274576271186441 -0.083186669225264 0.4629 0.7268 3557902 ACon1_001107 COc1cc(cc(OC)c1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H10 compound treatment 0.0357 0.0346 0.97 0.707 0.0375 1.22 0.0255020885547197 0.0292542372881356 0.886297475819788 1.7741 0.9908 3553984 ACon1_001108 Cc1cc(O)c(Cc2c(O)cc(C)c(C=O)c2O)c(O)c1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H11 compound treatment 0.0157 0.0146 0.41 0.68 0.0105 0.34 -0.00449791144528035 -7.4576271186441E-4 -0.0225939101599483 0.4204 0.7878 3559002 ACon1_001109 Oc1ccc(CCCc2ccc3OCOc3c2)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H12 compound treatment 0.0097 0.0086 0.24 0.686 0.0165 0.53 0.0125020885547197 0.0162542372881356 0.492444541895236 0.7324 0.9561 3554509 ACon1_001110 CO[C@H]/1\C=C\[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H13 compound treatment 0.0097 0.0086 0.24 0.683 0.0135 0.44 0.0115020885547197 0.0152542372881356 0.462148162362578 0.6587 0.9678 3559031 ACon1_001111 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H14 compound treatment 0.0307 0.0296 0.83 0.7 0.0305 0.99 0.0265020885547197 0.0302542372881356 0.916593855352446 1.5795 0.9975 3554525 ACon1_001112 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)(O)CCl)C1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H15 compound treatment 0.0217 0.0206 0.58 0.681 0.0115 0.37 0.0265020885547197 0.0302542372881356 0.916593855352446 1.0772 0.9407 3553997 ACon1_001113 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H16 compound treatment 0.0157 0.0146 0.41 0.685 0.0155 0.5 0.0155020885547197 0.0192542372881356 0.58333368049321 0.8626 0.9898 1106761 ACon1_001114 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3CC(=O)CC(CC(=O)CCc4ccc(O)cc4)O3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H17 compound treatment 0.0157 0.0146 0.41 0.688 0.0185 0.6 0.0185020885547197 0.0222542372881356 0.674222819091183 0.9719 0.9808 3559112 ACon1_001115 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)/C=C/C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H18 compound treatment 0.0137 0.0126 0.35 0.683 0.0135 0.44 0.0135020885547196 0.0172542372881355 0.522740921427891 0.7584 0.9878 3558839 ACon1_001116 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H19 mock treatment 0.0177 0.0166 0.46 0.687 0.0175 0.57 0.0105020885547197 0.0142542372881356 0.43185178282992 0.845 0.9931 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H20 mock treatment 0.0107 0.00964 0.27 0.68 0.0105 0.34 0.00850208855471965 0.0122542372881356 0.371259023764603 0.5669 0.9918 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H21 compound treatment 0.0107 0.00964 0.27 0.67 4.83E-4 0.02 0.0105020885547197 0.0142542372881356 0.43185178282992 0.4145 0.8131 1111461 ACon1_001117 CC(=CCOc1c2occc2cc3ccc(=O)oc13)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H22 compound treatment -0.0123 -0.0134 -0.37 0.677 0.00748 0.24 0.0145020885547197 0.0182542372881356 0.553037300960552 0.2433 0.3423 3558469 ACon1_001118 OC(=O)c1c(O)cccc1CCCCCCC/C=C\C/C=C\CC=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H23 compound treatment 0.0277 0.0266 0.74 0.701 0.0315 1.02 0.0305020885547197 0.0342542372881356 1.03777937348308 1.619 0.9898 3559898 ACon1_001119 C[C@@H]1C(O)O[C@@H]2[C@H]1[C@@H](O)C[C@](C)(C=C)[C@H]2C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 H24 compound treatment 0.0147 0.0136 0.38 0.685 0.0155 0.5 0.0155020885547196 0.0192542372881355 0.583333680493207 0.8477 0.9861 3559171 ACon1_001120 OC[C@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)C[C@@H](Oc4c2)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I01 compound treatment -0.0063 -0.00744 -0.21 0.656 -0.0135 -0.44 -4.9791144528036E-4 0.00325423728813558 0.0985916079706827 -0.3168 -0.6391 3554132 ACon1_001121 CCC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I02 compound treatment -0.0033 -0.00444 -0.12 0.655 -0.0145 -0.47 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.3744 -0.7638 3553195 ACon1_001122 CC(=CCc1c(oc2c(CC=C(C)C)c(O)cc(O)c2c1=O)c3ccc(O)cc3O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I03 compound treatment -0.0043 -0.0054 -0.15 0.66 -0.00952 -0.31 0.00750208855471965 0.0112542372881356 0.340962644231946 -0.0689 -0.1423 3559282 ACon1_001123 OC[C@H]1O[C@@H](Oc2ccc(CC=C)cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I04 compound treatment -0.0143 -0.0154 -0.43 0.648 -0.0215 -0.7 -0.0234979114452804 -0.0197457627118645 -0.598225121280448 -0.9978 -0.9823 3558801 ACon1_001124 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3C(=C[C@@H](O)[C@@]3(C)O)[C@@](C)(O)C[C@@H]2OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I05 mock treatment -0.0193 -0.0204 -0.57 0.667 -0.00252 -0.08 -0.0034979114452803 2.5423728813564E-4 0.00770246937271103 -0.3729 -0.6454 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I06 mock treatment 0.0027 0.0016 0.04 0.669 -5.17E-4 -0.02 0.00450208855471965 0.00825423728813559 0.250073505633972 0.1606 0.6308 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I07 compound treatment -0.0303 -0.0314 -0.88 0.67 4.83E-4 0.02 0.0075020885547197 0.0112542372881356 0.340962644231947 -0.3023 -0.3202 3474459 ACon1_001125 OCC1OC(Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)C(OC5OCC(O)(CO)C5O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I08 compound treatment -0.0023 -0.0034 -0.1 0.645 -0.0245 -0.8 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.5449 -0.6785 3554178 ACon1_001126 CCC(CCCCC(=O)CCCCC1CCC(=O)O1)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@H](OC(=O)C)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I09 compound treatment -0.0153 -0.0164 -0.46 0.667 -0.00252 -0.08 -0.0154979114452804 -0.0117457627118645 -0.355854085019186 -0.5181 -0.8824 3558998 ACon1_001127 CCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I10 compound treatment 0.0027 0.0016 0.04 0.673 0.00348 0.11 0.00550208855471965 0.00925423728813559 0.28036988516663 0.2531 0.828 3557509 ACon1_001128 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c(O)c4c(=O)cc(oc24)c5ccc(O)cc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I11 compound treatment -0.0303 -0.0314 -0.88 0.674 0.00448 0.15 -0.0304979114452804 -0.0267457627118645 -0.810299778009053 -0.8914 -0.7401 3558722 ACon1_001129 CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(OC(=O)C)C(OC4OC(C)C(O)C(O)C4O)C2OC(=O)/C=C/c5ccc(O)c(O)c5)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I12 compound treatment 0.0037 0.0026 0.07 0.666 -0.00352 -0.11 0.00250208855471964 0.00625423728813558 0.189480746568656 0.0856 0.3675 3558629 ACon1_001130 OC[C@H]1O[C@@H](Oc2cc3occc3cc2CCC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I13 compound treatment 0.0157 0.0146 0.41 0.683 0.0135 0.44 -0.0144979114452803 -0.0107457627118644 -0.325557705486525 0.3004 0.4409 3558785 ACon1_001131 CC1(C)C2CCC1(C)C(C2)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I14 compound treatment 7.0E-4 -3.98E-4 -0.01 0.661 -0.00852 -0.28 0.00350208855471965 0.00725423728813559 0.219777126101314 -0.0391 -0.1108 3558926 ACon1_001132 Oc1ccc(/C=C/c2ccc(O)cc2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I15 compound treatment -0.0193 -0.0204 -0.57 0.676 0.00648 0.21 0.00750208855471965 0.0112542372881356 0.340962644231946 -0.0112 -0.0161 3558862 ACon1_001133 CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)OC4C5OC5(C)C6C(OC7OC(CO)C(OC(=O)/C(=C/CCC(C)(O)C=C)/C)C(O)C7O)OC=CC46O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I16 compound treatment -0.0033 -0.00444 -0.12 0.662 -0.00752 -0.24 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.2432 -0.872 3558948 ACon1_001134 COc1cc(/C=C\C(=O)O)cc(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I17 compound treatment -3.0E-4 -0.0014 -0.04 0.667 -0.00252 -0.08 -0.00549791144528034 -0.0017457627118644 -0.0528902896926058 -0.1003 -0.9563 3557339 ACon1_001135 C[C@H]1OC(=O)c2c(O)ccc(O)c2[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I18 compound treatment -0.0063 -0.0074 -0.21 0.649 -0.0205 -0.67 -0.00849791144528035 -0.00474576271186441 -0.14377942829058 -0.5873 -0.8247 3557346 ACon1_001136 CC(C)CCCC/C=C\CCCCCCCC(=O)OCC(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I19 compound treatment 0.0077 0.0066 0.19 0.679 0.00948 0.31 5.0208855471966E-4 0.0042542372881356 0.128887987503341 0.359 0.9408 3557913 ACon1_001137 CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)CC(O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I20 compound treatment -0.0113 -0.0124 -0.35 0.673 0.00348 0.11 0.00250208855471964 0.00625423728813558 0.189480746568656 -0.026 -0.0632 3558986 ACon1_001138 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I21 mock treatment -0.0113 -0.0124 -0.35 0.668 -0.00152 -0.05 -0.0094979114452804 -0.00574576271186446 -0.174075807823239 -0.3303 -0.8407 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I22 mock treatment 0.0127 0.0116 0.33 0.67 4.83E-4 0.02 0.0105020885547197 0.0142542372881356 0.43185178282992 0.4468 0.8251 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I23 compound treatment 0.0077 0.00664 0.19 0.677 0.00748 0.24 0.00450208855471965 0.00825423728813559 0.250073505633972 0.3921 0.9921 3554969 ACon1_001139 COc1cc(O)c(CC=C(C)C)cc1C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 I24 compound treatment -0.0193 -0.0204 -0.57 0.647 -0.0225 -0.73 -0.0174979114452804 -0.0137457627118645 -0.416446844084502 -0.9925 -0.9758 3554553 ACon1_001140 COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)C1C[C@@H](OC(=O)C)C3=C2[C@H](O)C[C@](C)(C=C)[C@@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J01 compound treatment -0.0213 -0.0224 -0.63 0.641 -0.0285 -0.93 -0.0274979114452804 -0.0237457627118645 -0.71941063941108 -1.313 -0.9869 3557527 ACon1_001141 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J02 compound treatment -0.0343 -0.0354 -0.99 0.659 -0.0105 -0.34 -0.0174979114452804 -0.0137457627118645 -0.416446844084502 -1.0111 -0.8947 3558547 ACon1_001142 COc1ccc(cc1OC)[C@@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J03 compound treatment -0.0443 -0.0454 -1.27 0.635 -0.0345 -1.12 -0.0244979114452804 -0.0207457627118645 -0.628521500813106 -1.7452 -0.9646 3554707 ACon1_001143 COC(=O)c1cc(O)cc(OC)c1Oc2c(Cl)c(C)c(Cl)c(O)c2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J04 compound treatment -0.0223 -0.0234 -0.66 0.662 -0.00752 -0.24 -0.0104979114452804 -0.00674576271186446 -0.204372187355897 -0.6382 -0.8741 3559048 ACon1_001144 CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J05 mock treatment -0.0053 -0.0064 -0.18 0.656 -0.0135 -0.44 -0.0184979114452804 -0.0147457627118645 -0.446743223617159 -0.6148 -0.9439 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J06 mock treatment 0.0017 6.02E-4 0.02 0.682 0.0125 0.41 -0.00749791144528035 -0.00374576271186441 -0.113483048757922 0.1781 0.423 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J07 compound treatment -0.0103 -0.0114 -0.32 0.655 -0.0145 -0.47 -0.0104979114452804 -0.00674576271186446 -0.204372187355897 -0.5745 -0.9498 3559004 ACon1_001145 Oc1cc(O)c(C(=O)CCCCCCCCc2ccccc2)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J08 compound treatment -0.0623 -0.0634 -1.78 0.66 -0.00952 -0.31 -0.0284979114452804 -0.0247457627118645 -0.749707018943737 -1.6374 -0.8381 3558537 ACon1_001146 C/C(=C\CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O)/C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J09 compound treatment -0.0083 -0.00944 -0.26 0.652 -0.0175 -0.57 -0.0044979114452804 -7.4576271186446E-4 -0.0225939101599498 -0.4941 -0.7874 3558931 ACon1_001147 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3O[C@@H](CC(=O)c3c2O)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J10 compound treatment -0.0103 -0.0114 -0.32 0.668 -0.00152 -0.05 -0.0114979114452804 -0.00774576271186446 -0.234668566888555 -0.3491 -0.8718 3557887 ACon1_001148 COc1cc(ccc1O)C2OCC3C(OCC23)c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J11 compound treatment 0.0047 0.0036 0.1 0.659 -0.0105 -0.34 0.00750208855471965 0.0112542372881356 0.340962644231946 0.0581 0.1179 3557666 ACon1_001149 CC(=O)OCC(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J12 compound treatment -3.0E-4 -0.0014 -0.04 0.675 0.00548 0.18 -0.00649791144528035 -0.00274576271186441 -0.083186669225264 0.0321 0.1601 3554146 ACon1_001150 CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J13 compound treatment -0.0153 -0.0164 -0.46 0.649 -0.0205 -0.67 5.02088554719641E-4 0.00425423728813558 0.128887987503341 -0.5755 -0.7023 3559043 ACon1_001151 CC(C)(O)C1CCC(C)(O1)C2[C@H](O)C[C@@]3(C)C4CC=C5C(C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J14 compound treatment -0.0093 -0.0104 -0.29 0.669 -5.17E-4 -0.02 -0.0184979114452804 -0.0147457627118645 -0.446743223617159 -0.4359 -0.8168 3557343 ACon1_001152 CCC/C=C\CC(N)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J15 compound treatment -0.0083 -0.0094 -0.26 0.633 -0.0365 -1.19 -0.0074979114452804 -0.00374576271186446 -0.113483048757923 -0.9019 -0.7396 3559081 ACon1_001153 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3ccc(C=C)cc3)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J16 compound treatment -0.0393 -0.0404 -1.13 0.644 -0.0255 -0.83 -0.0354979114452804 -0.0317457627118645 -0.961781675672342 -1.6873 -0.9919 3552097 ACon1_001154 C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J17 compound treatment -0.0323 -0.0334 -0.94 0.629 -0.0405 -1.31 -0.0214979114452804 -0.0177457627118645 -0.537632362215133 -1.6109 -0.9464 3559133 ACon1_001155 OC1C(O)c2ccc(O)c(O)c2OC1c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J18 compound treatment -0.0013 -0.00244 -0.07 0.669 -5.17E-4 -0.02 -0.00749791144528041 -0.00374576271186447 -0.113483048757924 -0.1147 -0.8587 3558873 ACon1_001156 O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J19 compound treatment -0.0023 -0.0034 -0.1 0.665 -0.00452 -0.15 -0.0194979114452804 -0.0157457627118645 -0.477039603149817 -0.4151 -0.8169 3554748 ACon1_001157 COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J20 compound treatment -0.0803 -0.0814 -2.28 0.668 -0.00152 -0.05 -0.00449791144528035 -7.4576271186441E-4 -0.0225939101599483 -1.3584 -0.5954 3558844 ACon1_001158 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2[C@@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J21 mock treatment 0.0147 0.0136 0.38 0.669 -5.17E-4 -0.02 0.00650208855471965 0.0102542372881356 0.310666264699288 0.3905 0.792 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J22 mock treatment -0.0203 -0.0214 -0.6 0.652 -0.0175 -0.57 -0.0174979114452804 -0.0137457627118645 -0.416446844084502 -0.9157 -0.9886 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J23 compound treatment -0.0083 -0.00944 -0.26 0.661 -0.00852 -0.28 -0.0114979114452804 -0.00774576271186446 -0.234668566888555 -0.4479 -0.9977 3555129 ACon1_001159 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 J24 compound treatment 0.0027 0.0016 0.04 0.672 0.00248 0.08 -0.00449791144528034 -7.457627118644E-4 -0.022593910159948 0.0594 0.6255 3552652 ACon1_001160 C[C@@H]1C[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@]4(C)[C@H](CCC=C4C)[C@@]1(C)CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K01 compound treatment -0.0013 -0.0024 -0.07 0.687 0.0175 0.57 0.00750208855471965 0.0112542372881356 0.340962644231946 0.4856 0.7299 3554770 ACon1_001161 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K02 compound treatment -0.0023 -0.0034 -0.1 0.66 -0.00952 -0.31 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.2639 -0.8056 3558741 ACon1_001162 C[C@@]1(CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=C)CCC12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K03 compound treatment 0.0067 0.00564 0.16 0.677 0.00748 0.24 0.00850208855471965 0.0122542372881356 0.371259023764603 0.4459 0.9467 3558575 ACon1_001163 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K04 compound treatment 0.0077 0.00664 0.19 0.677 0.00748 0.24 -0.0294979114452803 -0.0257457627118644 -0.780003398476392 -0.2026 -0.2418 3553892 ACon1_001164 CC1[C@@H]2CC[C@@]3(C)[C@H](O)C[C@H](O)C(=C)C3[C@H]2OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K05 compound treatment 0.0177 0.0166 0.46 0.69 0.0205 0.66 -0.0074979114452803 -0.00374576271186436 -0.11348304875792 0.5864 0.7162 3558807 ACon1_001165 C[C@H]1[C@@H]2CC/C(=C/C[C@H](O)/C(=C/[C@H]2OC1=O)/C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K06 compound treatment 0.0167 0.0156 0.44 0.683 0.0135 0.44 0.0115020885547197 0.0152542372881356 0.462148162362578 0.7727 0.9997 3552732 ACon1_001166 C[C@@H]1N2[C@H]3N(C1=O)c4ccccc4[C@@]3(O)C[C@@H]5C(=O)N[C@]2(C)c6nc7ccccc7c(=O)n56 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K07 mock treatment 0.0327 0.0316 0.88 0.702 0.0325 1.05 0.0305020885547197 0.0342542372881356 1.03777937348308 1.7187 0.9971 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K08 mock treatment 0.0177 0.0166 0.46 0.705 0.0355 1.15 0.0155020885547197 0.0192542372881356 0.58333368049321 1.2697 0.9256 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K09 compound treatment 0.0127 0.0116 0.33 0.685 0.0155 0.5 0.0125020885547197 0.0162542372881356 0.492444541895236 0.7622 0.9834 3558702 ACon1_001167 CC(=CCC/C(=C/CC/C(=C/CC\C(=C\COC(=O)C)\COC(=O)C)/C)/C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K10 compound treatment 0.0187 0.0176 0.49 0.689 0.0195 0.63 0.00650208855471965 0.0102542372881356 0.310666264699288 0.83 0.9642 3558881 ACon1_001168 COc1cc(ccc1O)[C@H]2Oc3c(cc(CCCO)cc3O)[C@@H]2CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K11 compound treatment 0.0127 0.0116 0.32 0.686 0.0165 0.53 0.0125020885547197 0.0162542372881356 0.492444541895236 0.7803 0.9802 3558728 ACon1_001169 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(C(=O)CCc4ccc(O)cc4)c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K12 compound treatment 0.0127 0.0116 0.33 0.681 0.0115 0.37 0.0145020885547197 0.0182542372881356 0.553037300960552 0.7223 0.9734 3558883 ACon1_001170 COc1c(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3occc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K13 compound treatment 0.0107 0.0096 0.27 0.685 0.0155 0.5 0.0115020885547196 0.0152542372881355 0.462148162362575 0.7124 0.9707 3558821 ACon1_001171 OCC1OC(OC2CC3C(C4OC(=O)C(=C)C4C(O)CC3=C)C2=C)C(O)C(OC(=O)/C=C/c5ccc(O)c(O)c5)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K14 compound treatment 0.0187 0.0176 0.49 0.688 0.0185 0.6 0.0155020885547197 0.0192542372881356 0.58333368049321 0.968 0.9965 3558928 ACon1_001172 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(O)CCC3(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K15 mock treatment 0.0207 0.0196 0.55 0.695 0.0255 0.83 0.0255020885547197 0.0292542372881356 0.886297475819788 1.3058 0.9814 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K16 mock treatment 0.0177 0.0166 0.47 0.691 0.0215 0.7 0.0185020885547197 0.0222542372881356 0.674222819091183 1.0605 0.9858 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K17 compound treatment 0.0097 0.0086 0.24 0.657 -0.0125 -0.41 0.00850208855471965 0.0122542372881356 0.371259023764603 0.119 0.1981 3558508 ACon1_001173 CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)/C=C/C(C)C(=O)C2(O)C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)C2[C@H]3OC(=O)CC[C@]31OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K18 compound treatment -0.0113 -0.0124 -0.35 0.668 -0.00152 -0.05 -0.0014979114452804 0.00225423728813554 0.0682952284380236 -0.1903 -0.5306 3558941 ACon1_001174 CC(C)CC(=O)c1c(O)cc(O)cc1OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K19 compound treatment -0.0373 -0.0384 -1.08 0.671 0.00148 0.05 0.00250208855471964 0.00625423728813558 0.189480746568656 -0.4837 -0.4425 3558693 ACon1_001175 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)(O)C(C)Cl)C1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K20 compound treatment 0.0057 0.0046 0.13 0.681 0.0115 0.37 0.00950208855471965 0.0132542372881356 0.401555403297261 0.5215 0.9266 3558988 ACon1_001176 CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K21 compound treatment -0.0083 -0.0094 -0.26 0.677 0.00748 0.24 0.00150208855471966 0.0052542372881356 0.159184367035999 0.08 0.204 3559019 ACon1_001177 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC=C8[C@@H]9CC(C)(C)CC[C@@]9(CC[C@]87C)C(=O)O)[C@]5(C)CO)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K22 compound treatment 0.0147 0.0136 0.38 0.689 0.0195 0.63 -0.50849791144528 -0.504745762711864 -15.2919691946195 -8.2436 -0.5385 3559027 ACon1_001178 CC(=O)OC[C@]1(O)C[C@@]2(C[C@H]1CC[C@H]23)CC[C@@H]4[C@@](C)(CCC[C@@]34C)C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K23 mock treatment 0.0097 0.00864 0.24 0.681 0.0115 0.37 0.00950208855471965 0.0132542372881356 0.401555403297261 0.5869 0.9797 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 K24 mock treatment 0.0157 0.0146 0.41 0.681 0.0115 0.37 0.0145020885547197 0.0182542372881356 0.553037300960552 0.7708 0.9851 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L01 compound treatment -0.0063 -0.00744 -0.21 0.665 -0.00452 -0.15 -0.0074979114452804 -0.00374576271186446 -0.113483048757923 -0.2706 -0.9696 3554154 ACon1_001179 CCC(C)c1cnc(Cc2ccccc2)c(=O)[nH]1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L02 compound treatment -0.0063 -0.0074 -0.21 0.67 4.83E-4 0.02 5.020885547196E-4 0.00425423728813554 0.128887987503339 -0.0363 -0.1483 3557616 ACon1_001180 COc1cc(cc(OC)c1O)C2C(COC3OCC(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L03 compound treatment 7.0E-4 -3.97E-4 -0.01 0.659 -0.0105 -0.34 0.00950208855471965 0.0132542372881356 0.401555403297261 0.0283 0.0538 3554516 ACon1_001181 CO[C@H]1C(=O)Nc2ccc(/C=C/C3(C)CCC(C)(C)CO3)c(O)c2[C@]1(O)c4ccc(OC)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L04 compound treatment -0.0073 -0.00844 -0.24 0.662 -0.00752 -0.24 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.308 -0.8955 3559072 ACon1_001182 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L05 compound treatment 0.0027 0.0016 0.04 0.678 0.00848 0.28 0.0115020885547196 0.0152542372881355 0.462148162362575 0.4517 0.8368 3557828 ACon1_001183 Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L06 compound treatment -0.0023 -0.0034 -0.1 0.672 0.00248 0.08 -4.9791144528036E-4 0.00325423728813558 0.0985916079706827 0.0484 0.3042 2095398 ACon1_001184 CC(=CCCC1(C)Oc2ccc3c4cc(C)c(O)cc4[nH]c3c2C=C1)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L07 mock treatment -0.0083 -0.00944 -0.26 0.666 -0.00352 -0.11 -0.0144979114452804 -0.0107457627118645 -0.325557705486528 -0.4066 -0.9353 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L08 mock treatment -0.0103 -0.0114 -0.32 0.663 -0.00652 -0.21 -0.0274979114452804 -0.0237457627118645 -0.71941063941108 -0.7226 -0.886 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L09 compound treatment 0.0167 0.0156 0.44 0.685 0.0155 0.5 0.0125020885547197 0.0162542372881356 0.492444541895236 0.8276 0.9983 3558935 ACon1_001185 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L10 compound treatment 0.0127 0.0116 0.33 0.684 0.0145 0.47 0.0105020885547197 0.0142542372881356 0.43185178282992 0.7092 0.9892 3558649 ACon1_001186 CC1=CCC2C(C)(C)CCC[C@]2(C)[C@]31CC[C@](C)(CC(=O)O)O3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L11 compound treatment 0.0097 0.0086 0.24 0.683 0.0135 0.44 0.0155020885547197 0.0192542372881356 0.58333368049321 0.7287 0.9487 3557542 ACon1_001187 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)c(C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)c(O)c6)c3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L12 compound treatment 0.0067 0.00564 0.16 0.678 0.00848 0.28 0.00350208855471965 0.00725423728813559 0.219777126101314 0.3772 0.9767 3558613 ACon1_001188 OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L13 compound treatment 0.0137 0.0126 0.35 0.687 0.0175 0.57 0.0165020885547197 0.0202542372881356 0.613630060025867 0.8865 0.9765 3558939 ACon1_001189 CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L14 compound treatment 0.0077 0.0066 0.19 0.681 0.0115 0.37 0.00950208855471965 0.0132542372881356 0.401555403297261 0.5539 0.9578 3558993 ACon1_001190 CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L15 mock treatment 0.0107 0.00964 0.27 0.679 0.00948 0.31 0.0105020885547197 0.0142542372881356 0.43185178282992 0.5831 0.9796 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L16 mock treatment 0.0107 0.0096 0.27 0.679 0.00948 0.31 -0.0354979114452803 -0.0317457627118644 -0.961781675672339 -0.2222 -0.2126 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L17 compound treatment 0.0107 0.00956 0.27 0.696 0.0265 0.86 0.0295020885547197 0.0332542372881356 1.00748299395042 1.2327 0.9123 3559131 ACon1_001191 C[C@@]1(CCC[C@@]2(C)C3CCC4CC3(C[C@@]4(O)CO)CCC12)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L18 compound treatment -0.0233 -0.0244 -0.68 0.67 4.83E-4 0.02 0.0045020885547196 0.00825423728813554 0.250073505633971 -0.2415 -0.3315 3559237 ACon1_001192 O[C@H]1[C@@H](Oc2c([C@H]3[C@@H](Oc4cc(O)cc(O)c4C3=O)c5ccc(O)cc5)c(O)cc(O)c2C1=O)c6ccc(O)cc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L19 compound treatment 0.0077 0.00664 0.19 0.686 0.0165 0.53 0.00150208855471965 0.00525423728813559 0.159184367035999 0.5083 0.8639 3559639 ACon1_001193 CC(=O)/C=C(\O)/C=C/c1ccc(O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L20 compound treatment 0.0067 0.0056 0.16 0.678 0.00848 0.28 0.0105020885547197 0.0142542372881356 0.43185178282992 0.499 0.9315 3554658 ACon1_001194 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)c(O)c3)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L21 compound treatment -3.0E-4 -0.0014 -0.04 0.682 0.0125 0.41 0.00850208855471965 0.0122542372881356 0.371259023764603 0.4256 0.7725 3557983 ACon1_001195 CC1CCC2C1C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L22 compound treatment 0.0117 0.0106 0.3 0.68 0.0105 0.34 0.00250208855471966 0.0062542372881356 0.189480746568657 0.4781 0.9745 3554257 ACon1_001196 CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L23 mock treatment 0.0157 0.0146 0.41 0.685 0.0155 0.5 0.0135020885547197 0.0172542372881356 0.522740921427894 0.8289 0.9948 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 L24 mock treatment 0.0187 0.0176 0.49 0.687 0.0175 0.57 0.0195020885547197 0.0232542372881356 0.704519198623841 1.0193 0.9891 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M01 compound treatment 0.0037 0.0026 0.07 0.674 0.00448 0.15 0.00650208855471965 0.0102542372881356 0.310666264699288 0.3055 0.871 2110684 ACon1_001197 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@@H]3[C@]1(C)CC[C@@H]4C(C)(C)[C@H](CC[C@]43C=O)OC(=O)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M02 compound treatment -0.0083 -0.0094 -0.26 0.643 -0.0265 -0.86 -0.0414979114452804 -0.0377457627118645 -1.14355995286829 -1.3092 -0.8997 3558775 ACon1_001198 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M03 compound treatment -0.0033 -0.0044 -0.12 0.637 -0.0325 -1.06 -0.0104979114452804 -0.00674576271186446 -0.204372187355897 -0.7985 -0.738 3557303 ACon1_001199 COc1cc(O)cc2CC(C)OC(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M04 compound treatment -0.0043 -0.00544 -0.15 0.647 -0.0225 -0.73 -0.0314979114452804 -0.0277457627118645 -0.840596157541711 -0.9953 -0.8853 3558815 ACon1_001200 C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]2(C)CO)[C@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M05 compound treatment -0.0073 -0.0084 -0.24 0.624 -0.0455 -1.48 -0.0274979114452804 -0.0237457627118645 -0.71941063941108 -1.4042 -0.8459 3553725 ACon1_001201 CC(CO)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(CN3CCCC3C(=O)O)[C@@H]21)/CO)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M06 compound treatment 0.0107 0.0096 0.27 0.683 0.0135 0.44 -0.0224979114452804 -0.0187457627118645 -0.567928741747791 0.0802 0.1047 3558829 ACon1_001202 CC1CCCC2=CC(OC2=O)C(C)(C)CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M07 compound treatment 0.0107 0.0096 0.27 0.648 -0.0215 -0.7 0.00950208855471965 0.0132542372881356 0.401555403297261 -0.0159 -0.0187 3558899 ACon1_001203 CC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M08 compound treatment -0.0073 -0.0084 -0.24 0.633 -0.0365 -1.19 -0.0414979114452804 -0.0377457627118645 -1.14355995286829 -1.4804 -0.8899 3558868 ACon1_001204 CC(=O)CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M09 mock treatment 0.0047 0.00364 0.1 0.645 -0.0245 -0.8 0.00550208855471965 0.00925423728813559 0.28036988516663 -0.2386 -0.2807 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M10 mock treatment -0.0183 -0.0194 -0.54 0.626 -0.0435 -1.41 -0.0524979114452804 -0.0487457627118645 -1.47682012772753 -1.9821 -0.9373 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M11 compound treatment -0.0083 -0.00944 -0.26 0.63 -0.0395 -1.28 -0.0404979114452804 -0.0367457627118645 -1.11326357333563 -1.536 -0.8936 3558753 ACon1_001205 CC(=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)c4ccc(O)cc4O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M12 compound treatment -0.0173 -0.0184 -0.51 0.631 -0.0385 -1.25 -0.0484979114452804 -0.0447457627118645 -1.35563460959689 -1.8016 -0.941 3558895 ACon1_001206 C[C@H]1O[C@@H](OC(C)(C)C2CCC(=CC2)C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M13 mock treatment -0.0133 -0.0144 -0.4 0.622 -0.0475 -1.54 -0.0224979114452804 -0.0187457627118645 -0.567928741747791 -1.4513 -0.8576 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M14 mock treatment -0.0103 -0.0114 -0.32 0.665 -0.00452 -0.15 -0.0344979114452804 -0.0307457627118645 -0.931485296139684 -0.8063 -0.8101 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M15 compound treatment -0.0093 -0.0104 -0.29 0.664 -0.00552 -0.18 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.3204 -0.9075 3558864 ACon1_001207 C/C(=C\CC[C@@](C)(O)C=C)/C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@]13OC(=O)\C(=C\CC[C@](C)(O)C=C)\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M16 compound treatment -0.0243 -0.0254 -0.71 0.648 -0.0215 -0.7 -0.0494979114452804 -0.0457457627118645 -1.38593098912955 -1.6151 -0.9456 3558691 ACon1_001208 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(=C)CO)C1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M17 compound treatment 0.0097 0.0086 0.24 0.638 -0.0315 -1.02 0.0125020885547197 0.0162542372881356 0.492444541895236 -0.167 -0.1439 3558897 ACon1_001209 CC(C)C(=O)OCC(O)(COC(=O)C(C)C)c1ccc(C)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M18 compound treatment -0.0473 -0.0484 -1.36 0.661 -0.00852 -0.28 -0.0444979114452804 -0.0407457627118645 -1.23444909146626 -1.6557 -0.8925 3558942 ACon1_001210 CC1=CCC(CC1)C(C)(C)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M19 compound treatment -0.0033 -0.0044 -0.12 0.644 -0.0255 -0.83 5.0208855471965E-4 0.00425423728813559 0.128887987503341 -0.4749 -0.5606 3553659 ACon1_001211 CC(C)CCCC/C=C\CCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M20 compound treatment -0.0193 -0.0204 -0.57 0.662 -0.00752 -0.24 -0.0124979114452804 -0.00874576271186446 -0.264964946421212 -0.6247 -0.9229 3558700 ACon1_001212 CC(=O)OC/C=C(\C)/CC/C=C(\C)/C(C/C=C(\CC/C=C(\C)/COC(=O)C)/C(=O)O)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M21 compound treatment -0.0053 -0.0064 -0.18 0.674 0.00448 0.15 0.0015020885547196 0.00525423728813554 0.159184367035997 0.0723 0.2579 3614729 ACon1_001213 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M22 compound treatment -0.0163 -0.0174 -0.49 0.667 -0.00252 -0.08 -0.0274979114452804 -0.0237457627118645 -0.71941063941108 -0.7448 -0.8525 3559009 ACon1_001214 CCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M23 compound treatment -0.0083 -0.0094 -0.26 0.663 -0.00652 -0.21 -0.0194979114452804 -0.0157457627118645 -0.477039603149817 -0.5497 -0.9403 3558724 ACon1_001215 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](OC(=O)C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 M24 compound treatment -0.0283 -0.0294 -0.83 0.655 -0.0145 -0.47 -0.0124979114452804 -0.00874576271186446 -0.264964946421212 -0.9015 -0.9138 3558423 ACon1_001216 C[C@]1(CCC[C@@]2(C)C3CCC4CC3(CC4=C)CCC12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N01 compound treatment -0.0023 -0.0034 -0.1 0.663 -0.00652 -0.21 -0.0604979114452804 -0.0567457627118645 -1.71919116398879 -1.1697 -0.6743 1000005 ACon1_001217 CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N02 compound treatment -0.0313 -0.0324 -0.91 0.621 -0.0485 -1.57 -0.0304979114452804 -0.0267457627118645 -0.810299778009053 -1.902 -0.9554 2119184 ACon1_001218 CC(=CCC/C(=C/Cc1cc2ccc(=O)oc2cc1O)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N03 compound treatment -0.0153 -0.0164 -0.46 0.645 -0.0245 -0.8 -0.0384979114452804 -0.0347457627118645 -1.05267081427032 -1.3326 -0.9536 3553469 ACon1_001219 CC(C)(O)C1=CC23CC[C@H]4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N04 compound treatment -0.0183 -0.0194 -0.54 0.636 -0.0335 -1.09 -0.0484979114452804 -0.0447457627118645 -1.35563460959689 -1.7254 -0.9472 3614731 ACon1_001220 CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N05 compound treatment -0.0573 -0.0584 -1.64 0.671 0.00148 0.05 -4.979114452804E-4 0.00325423728813554 0.0985916079706815 -0.8599 -0.5244 3558777 ACon1_001221 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N06 compound treatment -0.0063 -0.00744 -0.21 0.65 -0.0195 -0.63 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.5166 -0.7723 3559649 ACon1_001222 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N07 compound treatment -0.0113 -0.0124 -0.35 0.668 -0.00152 -0.05 -0.0734979114452804 -0.0697457627118645 -2.11304409791334 -1.4497 -0.6768 3553701 ACon1_001223 CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N08 compound treatment -0.0073 -0.00844 -0.24 0.659 -0.0105 -0.34 -0.0244979114452804 -0.0207457627118645 -0.628521500813106 -0.6965 -0.9246 3557653 ACon1_001224 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N09 mock treatment -0.0203 -0.0214 -0.6 0.647 -0.0225 -0.73 -0.0154979114452804 -0.0117457627118645 -0.355854085019186 -0.9744 -0.9639 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N10 mock treatment 0.0017 6.42E-4 0.02 0.668 -0.00152 -0.05 0.0015020885547196 0.00525423728813554 0.159184367035997 0.0739 0.4407 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N11 compound treatment -0.0203 -0.0214 -0.6 0.651 -0.0185 -0.6 -0.0274979114452804 -0.0237457627118645 -0.71941063941108 -1.1087 -0.9962 3559029 ACon1_001225 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N12 compound treatment -3.0E-4 -0.0014 -0.04 0.61 -0.0595 -1.93 5.02088554719601E-4 0.00425423728813554 0.128887987503339 -1.0634 -0.5492 1077975 ACon1_001226 COc1cc(CCC(=O)O)cc(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N13 mock treatment -0.1479 -0.149 -4.18 0.654 -0.0155 -0.5 -0.0114979114452804 -0.00774576271186446 -0.234668566888555 -2.8374 -0.6735 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N14 mock treatment -0.0123 -0.0134 -0.38 0.655 -0.0145 -0.47 -0.0104979114452804 -0.00674576271186446 -0.204372187355897 -0.6075 -0.9538 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N15 compound treatment -0.1649 -0.166 -4.65 0.672 0.00248 0.08 -0.0374979114452803 -0.0337457627118644 -1.02237443473765 -3.2301 -0.6779 2060475 ACon1_001227 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N16 compound treatment -0.0123 -0.0134 -0.38 0.659 -0.0105 -0.34 -0.0464979114452804 -0.0427457627118645 -1.29504185053158 -1.1623 -0.8354 3558625 ACon1_001228 COc1c(O)cc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N17 compound treatment -0.0243 -0.0254 -0.71 0.654 -0.0155 -0.5 -0.0164979114452804 -0.0127457627118645 -0.386150464551844 -0.9255 -0.9694 3559125 ACon1_001229 COc1ccc(cc1OC)C2OCC3[C@@H](OCC23)c4ccc(OC)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N18 compound treatment -0.0253 -0.0264 -0.74 0.666 -0.00352 -0.11 -0.0034979114452804 2.5423728813554E-4 0.007702469372708 -0.4888 -0.6526 3559207 ACon1_001230 CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)C=C4CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N19 compound treatment -0.0473 -0.0484 -1.36 0.648 -0.0215 -0.7 -0.0214979114452804 -0.0177457627118645 -0.537632362215133 -1.497 -0.9252 3559663 ACon1_001231 CC(=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N20 compound treatment -0.0243 -0.0254 -0.71 0.656 -0.0135 -0.44 -0.0124979114452803 -0.00874576271186436 -0.264964946421209 -0.8167 -0.9319 3559567 ACon1_001232 COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=CC[C@@H]12)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N21 compound treatment -0.0053 -0.00644 -0.18 0.656 -0.0135 -0.44 -0.0074979114452804 -0.00374576271186446 -0.113483048757923 -0.423 -0.8673 3558313 ACon1_001233 COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N22 compound treatment -0.0083 -0.0094 -0.26 0.66 -0.00952 -0.31 -0.0114979114452804 -0.00774576271186446 -0.234668566888555 -0.4659 -0.9936 3554671 ACon1_001234 COC(=O)C1=C2C(Oc3cc(CO)cc(O)c3C2=O)C(O)C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N23 compound treatment -0.0103 -0.0114 -0.32 0.66 -0.00952 -0.31 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.4115 -0.9085 3558632 ACon1_001235 C/C=C(\C)/C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 N24 compound treatment -0.0013 -0.0024 -0.07 0.669 -5.17E-4 -0.02 -0.0034979114452804 2.5423728813554E-4 0.007702469372708 -0.0441 -0.6319 3559148 ACon1_001236 OCC1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O[C@H]5OC[C@](O)(CO)[C@H]5O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O01 compound treatment 0.0117 0.0106 0.3 0.678 0.00848 0.28 0.0125020885547197 0.0162542372881356 0.492444541895236 0.6149 0.9642 3559908 ACon1_001237 CC1(CO)Oc2cc(O)c3c(=O)c(coc3c2C=C1)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O02 compound treatment -3.0E-4 -0.0014 -0.04 0.672 0.00248 0.08 0.0015020885547196 0.00525423728813554 0.159184367035997 0.1158 0.6339 3558779 ACon1_001238 C[C@H](C[C@@H](O)[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)C3CC[C@]12C)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O03 compound treatment -0.0013 -0.0024 -0.07 0.668 -0.00152 -0.05 -0.0044979114452804 -7.4576271186446E-4 -0.0225939101599498 -0.0803 -0.9299 3553208 ACon1_001239 CC(=O)c1cc(C)c(O)c(COC2OC(CO)C(O)C(O)C2O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O04 compound treatment 0.0017 6.02E-4 0.02 0.674 0.00448 0.15 0.00250208855471964 0.00625423728813558 0.189480746568656 0.2031 0.8482 3558817 ACon1_001240 C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@]2(C)CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O05 compound treatment 0.0037 0.0026 0.07 0.676 0.00648 0.21 0.00350208855471965 0.00725423728813559 0.219777126101314 0.2905 0.9284 3558838 ACon1_001241 COc1cc(CCC(O)CC(=O)CCc2ccccc2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O06 compound treatment -3.0E-4 -0.0014 -0.04 0.673 0.00348 0.11 -0.0014979114452804 0.00225423728813554 0.0682952284380236 0.0821 0.5957 3558830 ACon1_001242 CC(=O)OC1/C=C(/CCC=C(C)C(=O)C=CC1(C)C)\C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O07 compound treatment 0.0127 0.0116 0.33 0.681 0.0115 0.37 0.0105020885547197 0.0142542372881356 0.43185178282992 0.6523 0.9934 3554193 ACon1_001243 CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O08 compound treatment -0.0743 -0.0754 -2.11 0.617 -0.0525 -1.7 -0.0404979114452804 -0.0367457627118645 -1.11326357333563 -2.8473 -0.9702 3558870 ACon1_001244 CC(=O)CCCCCCCc1cc(=O)c2ccccc2[nH]1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O09 compound treatment 0.0077 0.00664 0.19 0.676 0.00648 0.21 0.00750208855471965 0.0112542372881356 0.340962644231946 0.4258 0.9638 3614735 ACon1_001245 OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O10 compound treatment -0.0073 -0.0084 -0.24 0.664 -0.00552 -0.18 -0.0104979114452804 -0.00674576271186446 -0.204372187355897 -0.3573 -0.9938 3558880 ACon1_001246 CC1OC(OC2C(O)C(O)C(OC2Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)c(O)c5)C(=O)O)C(O)C(O)C1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O11 mock treatment -0.0033 -0.00444 -0.12 0.67 4.83E-4 0.02 -0.0044979114452804 -7.4576271186446E-4 -0.0225939101599498 -0.0758 -0.5951 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O12 mock treatment -0.0113 -0.0124 -0.35 0.658 -0.0115 -0.37 -0.0094979114452804 -0.00574576271186446 -0.174075807823239 -0.5176 -0.9586 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O13 compound treatment 0.0127 0.0116 0.33 0.685 0.0155 0.5 0.00850208855471965 0.0122542372881356 0.371259023764603 0.6923 0.9828 3558794 ACon1_001247 CCCCCCCCCCCC(O)CC(=O)OCC(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O14 compound treatment 0.0057 0.00464 0.13 0.677 0.00748 0.24 0.00450208855471965 0.00825423728813559 0.250073505633972 0.3597 0.9668 3555946 ACon1_001248 OC1CCC(O)(C(=O)O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O15 compound treatment 0.0017 6.02E-4 0.02 0.674 0.00448 0.15 0.0055020885547196 0.00925423728813554 0.280369885166628 0.2556 0.8081 3558871 ACon1_001249 CC(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O16 compound treatment 0.0067 0.00564 0.16 0.678 0.00848 0.28 0.00750208855471965 0.0112542372881356 0.340962644231946 0.4471 0.9597 3558697 ACon1_001250 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C/C)/C)C1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O17 compound treatment 0.0047 0.0036 0.1 0.672 0.00248 0.08 0.00250208855471965 0.00625423728813559 0.189480746568656 0.2142 0.9341 3558900 ACon1_001251 CCC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O18 compound treatment -0.0173 -0.0184 -0.52 0.652 -0.0175 -0.57 -0.0194979114452804 -0.0157457627118645 -0.477039603149817 -0.9015 -0.9974 3557674 ACon1_001252 OC1COC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O19 compound treatment -0.0063 -0.00744 -0.21 0.664 -0.00552 -0.18 -0.0084979114452804 -0.00474576271186446 -0.143779428290581 -0.3068 -0.989 3558944 ACon1_001253 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O20 compound treatment -0.0093 -0.0104 -0.29 0.661 -0.00852 -0.28 -0.0094979114452804 -0.00574576271186446 -0.174075807823239 -0.4291 -0.9783 3559017 ACon1_001254 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O21 compound treatment -0.0063 -0.0074 -0.21 0.661 -0.00852 -0.28 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.3274 -0.921 3555821 ACon1_001255 OC(=O)C(CCCCCCOC(=O)C(=O)OCCCCCCC(C(=O)O)C(=C)C(=O)O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O22 compound treatment 0.0017 6.42E-4 0.02 0.673 0.00348 0.11 -0.0024979114452804 0.00125423728813554 0.0379988489053658 0.0976 0.8092 3559011 ACon1_001256 CCCCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O23 compound treatment -0.0103 -0.0114 -0.32 0.648 -0.0215 -0.7 -0.0084979114452804 -0.00474576271186446 -0.143779428290581 -0.6707 -0.8584 3558726 ACon1_001257 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c3c(O)cc(O)c4c(=O)cc(oc34)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 O24 compound treatment -0.0163 -0.0174 -0.49 0.652 -0.0175 -0.57 -0.0114979114452804 -0.00774576271186446 -0.234668566888555 -0.7453 -0.9495 3557891 ACon1_001258 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)CC(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P01 compound treatment 0.0097 0.0086 0.24 0.679 0.00948 0.31 0.0125020885547196 0.0162542372881355 0.492444541895233 0.6012 0.9562 1104287 ACon1_001259 CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P02 compound treatment 0.0047 0.0036 0.1 0.673 0.00348 0.11 0.00550208855471965 0.00925423728813559 0.28036988516663 0.2854 0.8956 3559023 ACon1_001260 CC(=C)C(=O)OC1CC(CO)CCC/C(=C/C2OC(=O)C(=C)C21)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P03 compound treatment 0.0117 0.0106 0.3 0.684 0.0145 0.47 0.0105020885547197 0.0142542372881356 0.43185178282992 0.6923 0.9832 3558101 ACon1_001261 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P04 compound treatment -0.0063 -0.0074 -0.21 0.663 -0.00652 -0.21 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.2899 -0.9421 3554885 ACon1_001262 COc1cc(ccc1O)C2Oc3c(C2CO)c(ccc3O)[C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P05 compound treatment -0.0253 -0.0264 -0.74 0.662 -0.00752 -0.24 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.6168 -0.786 1034727 ACon1_001263 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P06 compound treatment -0.0153 -0.0164 -0.46 0.661 -0.00852 -0.28 -0.0094979114452804 -0.00574576271186446 -0.174075807823239 -0.5262 -0.9314 3559423 ACon1_001264 OCC(Cc1ccc2OCOc2c1)C(CO)Cc3ccc4OCOc4c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P07 compound treatment -0.0043 -0.00544 -0.15 0.665 -0.00452 -0.15 -0.0064979114452804 -0.00274576271186446 -0.0831866692252655 -0.2207 -0.971 1096015 ACon1_001265 CC12CC(O)CC(C)(C)C2=CC(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P08 compound treatment 0.0017 6.02E-4 0.02 0.676 0.00648 0.21 0.00350208855471965 0.00725423728813559 0.219777126101314 0.2581 0.847 1115322 ACon1_001266 COc1ccn(C)c(=O)c1C#N 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P09 compound treatment -0.0123 -0.0134 -0.38 0.657 -0.0125 -0.41 -0.0084979114452804 -0.00474576271186446 -0.143779428290581 -0.5344 -0.9349 3558968 ACon1_001267 O[C@@H]1Cc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5[C@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)c(O)c6)c7ccc(O)cc7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P10 compound treatment -0.0143 -0.0154 -0.43 0.657 -0.0125 -0.41 -0.0154979114452804 -0.0117457627118645 -0.355854085019186 -0.6892 -0.9969 288 ACon1_001268 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P11 mock treatment -0.0223 -0.0234 -0.66 0.646 -0.0235 -0.76 -0.0264979114452804 -0.0227457627118645 -0.689114259878422 -1.2173 -0.998 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P12 mock treatment -0.0023 -0.0034 -0.1 0.667 -0.00252 -0.08 -0.0304979114452804 -0.0267457627118645 -0.810299778009053 -0.57 -0.6952 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P13 compound treatment -0.0193 -0.0204 -0.57 0.647 -0.0225 -0.73 -0.0194979114452804 -0.0157457627118645 -0.477039603149817 -1.0282 -0.9848 3558980 ACon1_001269 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(CO)CCCC12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P14 compound treatment -0.0103 -0.0114 -0.32 0.668 -0.00152 -0.05 -0.0054979114452804 -0.00174576271186446 -0.0528902896926076 -0.2435 -0.7431 3558996 ACon1_001270 CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P15 compound treatment 0.0017 6.02E-4 0.02 0.669 -5.17E-4 -0.02 -0.00349791144528036 2.5423728813558E-4 0.0077024693727092 0.0045 0.1798 3555936 ACon1_001271 Oc1ccc(/C=C/c2cc3O[C@H]([C@@H](c3c(O)c2)c4cc5O[C@@H]([C@H](c5c(O)c4)c6cc(O)cc(O)c6)c7ccc(O)c(O)c7)c8ccc(O)cc8)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P16 compound treatment -0.0223 -0.0234 -0.66 0.64 -0.0295 -0.96 -0.0234979114452804 -0.0197457627118645 -0.598225121280448 -1.2779 -0.978 3559197 ACon1_001272 CO/C(=C\1/OC(=O)C=C1OC)/[C@@H]2O[C@H]2c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P17 compound treatment -0.0213 -0.0224 -0.63 0.651 -0.0185 -0.6 -0.0204979114452804 -0.0167457627118645 -0.507335982682475 -1.0024 -0.996 3559114 ACon1_001273 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P18 compound treatment 0.0047 0.0036 0.1 0.677 0.00748 0.24 0.00550208855471965 0.00925423728813559 0.28036988516663 0.3604 0.9375 1025510 ACon1_001274 COc1ccc(cc1OC)C2OCC3(O)C(OCC23)c4ccc(OC)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P19 compound treatment -0.0073 -0.0084 -0.24 0.647 -0.0225 -0.73 -0.0024979114452804 0.00125423728813554 0.0379988489053658 -0.5359 -0.6972 2141039 ACon1_001275 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P20 compound treatment 0.0067 0.00564 0.16 0.672 0.00248 0.08 0.00150208855471964 0.00525423728813558 0.159184367035998 0.2298 0.9636 3552212 ACon1_001276 C[C@@H]([C@@H]1CC[C@@](C)(O1)C=C)C(=O)CC=C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P21 compound treatment 0.0077 0.0066 0.19 0.677 0.00748 0.24 0.00850208855471965 0.0122542372881356 0.371259023764603 0.4614 0.9599 3552101 ACon1_001277 C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P22 compound treatment -0.0013 -0.00244 -0.07 0.668 -0.00152 -0.05 -0.0024979114452804 0.00125423728813554 0.0379988489053658 -0.046 -0.4973 3558924 ACon1_001278 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P23 compound treatment -0.0053 -0.0064 -0.18 0.668 -0.00152 -0.05 -0.0024979114452804 0.00125423728813554 0.0379988489053658 -0.1101 -0.5797 3557752 ACon1_001279 OCC1OC(Oc2cc(O)c3C(=O)C(O)C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2293 P24 compound treatment -0.0043 -0.0054 -0.15 0.668 -0.00152 -0.05 -0.0034979114452804 2.5423728813554E-4 0.007702469372708 -0.1114 -0.6989 1102176 ACon1_001280 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A01 compound treatment 0.0432 0.0431 1.21 0.7 0.0377 1.22 0.0566721311475408 0.0583114754098361 1.76662659012564 2.4255 0.9833 3555976 ACon1_001281 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A02 compound treatment 0.0272 0.0271 0.76 0.668 0.00574 0.19 -0.0123278688524592 -0.0106885245901639 -0.323823597627753 0.3597 0.4245 3557285 ACon1_001282 COC(=O)[C@]12Oc3cc(C)c(c(O)c3C(=O)C2=C(O)CC[C@@H]1O)c4ccc(O)c5C(=O)C6=C(O)C[C@H](C)[C@H](OC(=O)C)[C@@]6(Oc45)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A03 compound treatment -0.0018 -0.00187 -0.05 0.674 0.0117 0.38 0.00167213114754081 0.00331147540983607 0.100325715829457 0.2476 0.623 3554124 ACon1_001283 CCC(C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A04 compound treatment 0.0063 0.00618 0.17 0.656 -0.00626 -0.2 -0.0053278688524592 -0.00368852459016394 -0.111748940899148 -0.0818 -0.2827 3558541 ACon1_001284 OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A05 compound treatment -0.0748 -0.0749 -2.1 0.6 -0.0623 -2.02 -0.0753278688524593 -0.073688524590164 -2.2324955081852 -3.6675 -0.9991 3559091 ACon1_001285 OC1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)OC3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]1[C@@H]3OC(=O)c6cc(O)c(O)c(O)c6c7c(O)c(O)c(O)cc7C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A06 compound treatment 0.0053 0.00518 0.15 0.641 -0.0213 -0.69 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 -0.3091 -0.4383 3559109 ACon1_001286 COc1c(O)c(O)cc2ccc3cccc(O)c3c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A07 compound treatment 0.0202 0.0201 0.56 0.594 -0.0683 -2.22 -0.0353278688524592 -0.0336885245901639 -1.02064032687888 -1.5425 -0.6161 3557604 ACon1_001287 COc1cc(O[C@@H]2O[C@H](COC3OCC(O)C(O)C3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A08 compound treatment 0.0172 0.0172 0.48 0.656 -0.00626 -0.2 -0.269327868852459 -0.267688524590164 -8.1099931375208 -4.5219 -0.5564 3559066 ACon1_001288 OC[C@H]1O[C@@H](Oc2ccc(COC(=O)CC(O)(CC(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)C(=O)OCc5ccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A09 compound treatment -0.0308 -0.0309 -0.86 0.716 0.0537 1.74 0.0046721311475408 0.00631147540983606 0.19121485442743 0.6179 0.3159 3559055 ACon1_001289 C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c5ccccc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A10 compound treatment -0.0208 -0.0209 -0.58 0.628 -0.0343 -1.11 -0.0463278688524592 -0.0446885245901639 -1.35390050173812 -1.7612 -0.9536 3559247 ACon1_001290 COc1c(C)c(O)c(C)c(O)c1C(=O)CCc2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A11 compound treatment -0.0168 -0.0169 -0.47 0.688 0.0257 0.84 -0.0063278688524592 -0.00468852459016394 -0.142045320431806 0.1272 0.131 3552701 ACon1_001291 C[C@@H]1CC[C@]2(C)[C@@]3(C)CC[C@@]2(OC3=O)[C@]41C[C@@H](OC4=O)c5ccoc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A12 compound treatment 0.0072 0.00713 0.2 0.643 -0.0193 -0.63 0.0166721311475408 0.0183114754098361 0.554771408819324 0.0748 0.087 3559273 ACon1_001292 COC(=O)[C@H](OC(=O)C)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H](C3=C)[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A13 mock treatment -0.0238 -0.0239 -0.67 0.653 -0.00926 -0.3 0.00967213114754081 0.0113114754098361 0.34269675209072 -0.3621 -0.4472 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A14 mock treatment -0.0338 -0.0339 -0.95 0.666 0.00374 0.12 0.00867213114754081 0.0103114754098361 0.312400372558062 -0.2975 -0.2956 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A15 compound treatment 2.0E-4 1.29E-4 0.0 0.689 0.0267 0.87 -0.0623278688524592 -0.0606885245901639 -1.83864257426064 -0.5584 -0.2747 2097145 ACon1_001293 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(CC(C)C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A16 compound treatment 0.0192 0.0191 0.54 0.667 0.00474 0.15 -0.0123278688524592 -0.0106885245901639 -0.323823597627753 0.2118 0.3281 3559137 ACon1_001294 O=C(CCc1ccccc1)/C=C/CCc2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A17 compound treatment -0.0508 -0.0509 -1.43 0.663 7.38E-4 0.02 -0.0853278688524592 -0.0836885245901639 -2.53545930351177 -2.2732 -0.7814 3552685 ACon1_001295 C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)c4c(O)cccc4C(=O)C23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A18 compound treatment 0.0522 0.0522 1.46 0.647 -0.0153 -0.5 -0.0353278688524592 -0.0336885245901639 -1.02064032687888 -0.0309 -0.0167 3559173 ACon1_001296 COc1cc(OC)c(cc1OC)C(O)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A19 compound treatment 0.0083 0.00818 0.23 0.661 -0.00126 -0.04 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -0.2531 -0.3786 3189183 ACon1_001297 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A20 compound treatment 0.0072 0.00716 0.2 0.592 -0.0703 -2.28 -0.0043278688524592 -0.00268852459016394 -0.08145256136649 -1.2477 -0.5447 3559107 ACon1_001298 CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CCC(C)(C=C3CCC12)C(=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A21 compound treatment -0.0628 -0.0629 -1.76 0.558 -0.104 -3.38 -0.0393278688524592 -0.0376885245901639 -1.14182584500951 -3.6306 -0.9116 3557672 ACon1_001299 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A22 compound treatment 0.0462 0.0461 1.29 0.587 -0.0753 -2.44 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 -0.6931 -0.2507 3559201 ACon1_001300 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A23 compound treatment -0.0418 -0.0419 -1.17 0.507 -0.155 -5.04 -0.00932786885245919 -0.00768852459016393 -0.232934459029779 -3.7215 -0.7186 2089505 ACon1_001301 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 A24 compound treatment -0.0548 -0.0549 -1.54 0.653 -0.00926 -0.3 -0.0273278688524592 -0.0256885245901639 -0.77826929061762 -1.5108 -0.8635 3557367 ACon1_001302 CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(O)C[C@@]42C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B01 compound treatment -0.0568 -0.0569 -1.59 0.617 -0.0453 -1.47 0.0086721311475408 0.0103114754098361 0.312400372558062 -1.588 -0.7251 3553926 ACon1_001303 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B02 compound treatment -0.0658 -0.0659 -1.85 0.61 -0.0523 -1.7 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -2.2497 -0.8885 3614774 ACon1_001304 CCCC(O)c1c(O)cccc1C(=O)CC(O)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B03 compound treatment -0.0258 -0.0259 -0.72 0.653 -0.00926 -0.3 -0.0763278688524592 -0.0746885245901639 -2.26279188771785 -1.8984 -0.7927 3553162 ACon1_001305 C[C@H]1OC(=O)c2c(O)c(C(=O)O)c(O)c(C)c2[C@@H]1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B04 compound treatment 0.0163 0.0162 0.45 0.651 -0.0113 -0.37 -0.172327868852459 -0.170688524590164 -5.171244322853 -2.9348 -0.5639 3614776 ACon1_001306 COc1ccc(/C=C/c2cc(OC)cc3OC(C)(C)CCc23)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B05 compound treatment -0.0168 -0.0169 -0.47 0.59 -0.0723 -2.35 -0.0603278688524592 -0.0586885245901639 -1.77804981519533 -2.6537 -0.8902 3614779 ACon1_001307 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)/C(=C\C)/C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2CC1(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B06 compound treatment -0.0448 -0.0449 -1.26 0.46 -0.202 -6.56 -0.0373278688524592 -0.0356885245901639 -1.0812330859442 -5.1402 -0.7592 1032451 ACon1_001308 CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B07 compound treatment -0.0978 -0.0979 -2.74 0.647 -0.0153 -0.5 -0.0023278688524592 -6.8852459016394E-4 -0.0208598023011744 -1.8819 -0.675 3614784 ACon1_001309 CC(C)C1=C(O)C(=O)C2=C([C@@H](CC3C(C)(C)CCC[C@@]32CO)OC(=O)C)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B08 compound treatment 0.0212 0.0212 0.59 0.572 -0.0903 -2.93 -0.112327868852459 -0.110688524590164 -3.35346155089353 -3.2849 -0.7313 3614787 ACon1_001310 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]([C@H](C)OC(=O)C)[C@@H]1CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B09 compound treatment -0.0948 -0.0949 -2.66 0.674 0.0117 0.38 0.0136721311475408 0.0153114754098361 0.463882270221351 -1.0476 -0.3843 3614791 ACon1_001311 CCC(C)CCC(O)C1=C(C)C(O)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B10 compound treatment -0.0088 -0.00885 -0.25 0.678 0.0157 0.51 -0.0043278688524592 -0.00268852459016394 -0.08145256136649 0.1046 0.1823 3554503 ACon1_001312 CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B11 compound treatment -0.0057 -0.00582 -0.16 0.663 7.38E-4 0.02 -0.221327868852459 -0.219688524590164 -6.65576691995323 -3.9231 -0.5892 3614794 ACon1_001313 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B12 compound treatment -0.0268 -0.0269 -0.75 0.665 0.00274 0.09 -0.0343278688524592 -0.0326885245901639 -0.990343947346224 -0.9551 -0.7658 3614796 ACon1_001314 COc1c(C)c(OC/C=C(\C)/C(=O)OCC(O)C(O)C(O)C(O)CO)cc(CO)c1CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B13 mock treatment 0.0082 0.00816 0.23 0.592 -0.0703 -2.28 -0.00832786885245919 -0.00668852459016393 -0.202638079497121 -1.3015 -0.5657 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B14 mock treatment 0.0122 0.0122 0.34 0.663 7.38E-4 0.02 -0.0063278688524592 -0.00468852459016394 -0.142045320431806 0.1286 0.3476 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B15 compound treatment -0.0458 -0.0459 -1.29 0.644 -0.0183 -0.59 -0.0763278688524592 -0.0746885245901639 -2.26279188771785 -2.3911 -0.8958 3614799 ACon1_001315 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B16 compound treatment -0.0088 -0.00885 -0.25 0.659 -0.00326 -0.11 -0.0113278688524592 -0.00968852459016394 -0.293527218095095 -0.3739 -0.9378 3614803 ACon1_001316 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@@](C[C@@H]5OC)(OC)C6[C@@H](O)C32)[C@@H]61 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B17 compound treatment -0.0528 -0.0529 -1.48 0.654 -0.00826 -0.27 -0.0143278688524592 -0.0126885245901639 -0.384416356693068 -1.2326 -0.7928 3614807 ACon1_001317 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B18 compound treatment -0.0268 -0.0269 -0.75 0.661 -0.00126 -0.04 0.0036721311475408 0.00531147540983606 0.160918474894772 -0.3657 -0.474 3614809 ACon1_001318 COc1ccc2nccc(C(O)C3CC4CC[N+]3([O-])CC4C=C)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B19 compound treatment 0.0192 0.0191 0.54 0.509 -0.153 -4.97 -0.0543278688524592 -0.0526885245901639 -1.59627153799938 -3.4834 -0.6633 3614812 ACon1_001319 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(CCC6(CCC54C)C(=O)OC7OC(CO)C(O)C(O)C7O)C(=O)O)C2(C)CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B20 compound treatment -0.7278 -0.728 -20.41 0.567 -0.0953 -3.09 -0.116327868852459 -0.114688524590164 -3.47464706902416 -15.5732 -0.744 3614813 ACon1_001320 CCN1C[C@]2(COC)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)CC32)[C@H]16 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B21 compound treatment -0.1368 -0.137 -3.84 0.587 -0.0753 -2.44 -0.0713278688524592 -0.0696885245901639 -2.11130999005456 -4.8447 -0.9661 3558920 ACon1_001321 Oc1cc(cc(O)c1O)C(=O)O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@H]3[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]2OC(=O)c7cc(O)c(O)c(O)c7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B22 compound treatment 0.0043 0.00418 0.12 0.641 -0.0213 -0.69 -0.0903278688524592 -0.088688524590164 -2.68694120117506 -1.8821 -0.6778 1099690 ACon1_001322 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5ccc(OC)cc45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B23 compound treatment -0.0088 -0.00887 -0.25 0.646 -0.0163 -0.53 -0.103327868852459 -0.101688524590164 -3.08079413509961 -2.227 -0.7102 3614819 ACon1_001323 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8OC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 B24 compound treatment 0.0153 0.0152 0.43 0.668 0.00574 0.19 6.721311475408E-4 0.00231147540983606 0.0700293362967991 0.3937 0.8379 3614822 ACon1_001324 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3O)c2cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C01 compound treatment -0.0057 -0.00582 -0.16 0.673 0.0107 0.35 0.00967213114754081 0.0113114754098361 0.34269675209072 0.3048 0.5916 3180147 ACon1_001325 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C02 compound treatment 0.0152 0.0151 0.42 0.666 0.00374 0.12 0.0016721311475408 0.00331147540983606 0.100325715829457 0.3732 0.8239 3558915 ACon1_001326 Oc1ccc(cc1)C2Oc3cc(O)cc(O)c3C(=O)C2C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C03 compound treatment 0.0163 0.0162 0.45 0.668 0.00574 0.19 0.0176721311475408 0.0193114754098361 0.585067788351982 0.7072 0.9264 3559041 ACon1_001327 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C04 compound treatment -0.0038 -0.00387 -0.11 0.652 -0.0103 -0.33 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 -0.5119 -0.9038 3559084 ACon1_001328 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c(C(=O)c3ccc(O)cc3)c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C05 compound treatment 0.0362 0.0361 1.01 0.66 -0.00226 -0.07 6.72131147540799E-4 0.00231147540983606 0.070029336296799 0.5829 0.5726 3554661 ACon1_001329 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C06 compound treatment 0.0122 0.0121 0.34 0.67 0.00774 0.25 0.0156721311475408 0.0173114754098361 0.524475029286666 0.6444 0.9563 3558716 ACon1_001330 COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C07 compound treatment 0.0092 0.00918 0.26 0.679 0.0167 0.54 0.0116721311475408 0.0133114754098361 0.403289511156035 0.6951 0.9602 3552084 ACon1_001331 C/C=C/C=C/C(=O)N1CC[C@]23[C@@H]1N4CC[C@]3([C@H]5Nc6ccccc62)c7c(cccc7[C@@H]4C8OC8(C)C)N5C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C08 compound treatment 0.0162 0.0162 0.45 0.677 0.0147 0.48 0.0446721311475408 0.0463114754098361 1.40307003573374 1.3478 0.8695 3559229 ACon1_001332 OC[C@H]1O[C@@H](Oc2ccc(cc2)c3cc(=O)c4c(O)cc(O)cc4o3)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C09 compound treatment 0.0192 0.0192 0.54 0.676 0.0137 0.45 0.0176721311475408 0.0193114754098361 0.585067788351982 0.9053 0.994 3559102 ACon1_001333 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C3(C)C)O[C@@H]([C@H]2O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C10 compound treatment 0.0072 0.00715 0.2 0.684 0.0217 0.71 0.0106721311475408 0.0123114754098361 0.372993131623377 0.7384 0.8974 3559180 ACon1_001334 C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C=CC7=C8CC(C)(C)CC[C@]8(CO)CC[C@]76C)[C@]4(C)CO)O[C@@H]3CO)[C@@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C11 mock treatment 0.0053 0.00518 0.15 0.662 -2.62E-4 -0.01 -0.00832786885245919 -0.00668852459016393 -0.202638079497121 -0.0381 -0.1526 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C12 mock treatment 0.0063 0.00618 0.17 0.662 -2.62E-4 -0.01 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 0.1006 0.5789 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C13 compound treatment 0.0042 0.00416 0.12 0.663 7.38E-4 0.02 -0.0063278688524592 -0.00468852459016394 -0.142045320431806 -9.0E-4 -0.0046 3558601 ACon1_001335 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C14 compound treatment 0.0042 0.00415 0.12 0.68 0.0177 0.58 0.0126721311475408 0.0143114754098361 0.433585890688693 0.6499 0.8902 3557383 ACon1_001336 CO[C@H]1C(O[C@@H]2C[C@H]3O[C@@H]([C@@H](O)[C@H](OC(=O)/C(=C/C)/CO)[C@]3(O)O[C@H]12)C(=O)OC)n4cnc5c(N)ncnc45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C15 mock treatment 0.0083 0.00818 0.23 0.673 0.0107 0.35 0.0026721311475408 0.00431147540983606 0.130622095362115 0.409 0.9357 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C16 mock treatment 0.0073 0.00718 0.2 0.651 -0.0113 -0.37 0.00967213114754081 0.0113114754098361 0.34269675209072 0.103 0.1908 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C17 compound treatment 0.0292 0.0291 0.82 0.692 0.0297 0.97 0.0196721311475408 0.0213114754098361 0.645660547417298 1.4015 0.9872 3555977 ACon1_001337 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C18 compound treatment 0.0103 0.0102 0.29 0.657 -0.00526 -0.17 0.00567213114754081 0.00731147540983607 0.221511233960088 0.1941 0.4856 3559187 ACon1_001338 CC(C)C[C@@](O)(CC(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C19 compound treatment 0.0013 0.00118 0.03 0.69 0.0277 0.9 0.00667213114754081 0.00831147540983607 0.251807613492746 0.6842 0.7315 3614831 ACon1_001339 C[C@H]1O[C@@H](OC/2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/CC\C=C\C=C\C=C\C=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C20 compound treatment 0.0163 0.0162 0.45 0.685 0.0227 0.74 -3.2786885245919E-4 0.00131147540983607 0.0397329567641415 0.7109 0.8198 3559183 ACon1_001340 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C21 compound treatment -0.0027 -0.00282 -0.08 0.66 -0.00226 -0.07 0.0146721311475408 0.0163114754098361 0.494178649754008 0.1973 0.39 3558289 ACon1_001341 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)O[C@@]%101CCC(C)CO%10 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C22 compound treatment 0.0083 0.00818 0.23 0.679 0.0167 0.54 0.00167213114754081 0.00331147540983607 0.100325715829457 0.5039 0.8426 3559203 ACon1_001342 C[C@H]1[C@@H]2CC[C@]3(C)O[C@]4(C)C(O)[C@@H]5[C@H]6[C@H](C(=C7[C@@H]6C[C@@](C)(O)C[C@H]8[C@H](C)C(=O)O[C@@H]87)C)C4(C53)[C@H]2OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C23 compound treatment 0.0112 0.0111 0.31 0.033 -0.629 -20.42 -0.0023278688524592 -6.8852459016394E-4 -0.0208598023011744 -11.6224 -0.569 3554240 ACon1_001343 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 C24 compound treatment 0.0143 0.0142 0.4 0.672 0.00974 0.32 6.72131147540805E-4 0.00231147540983606 0.0700293362967992 0.4524 0.8825 3555026 ACon1_001344 COc1cc2[C@@H]3CCN4CC=C[C@]56CC[C@H]3[C@]64N(C(=O)C5)c2cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D01 compound treatment 0.0152 0.0151 0.42 0.674 0.0117 0.38 0.0106721311475408 0.0123114754098361 0.372993131623377 0.6805 0.9983 3553596 ACon1_001345 CC(C)C1NC(=O)/C(=C/c2c[nH]cn2)/NC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D02 compound treatment 2.0E-4 1.79E-4 0.01 0.671 0.00874 0.28 -0.0293278688524592 -0.0276885245901639 -0.838862049682936 -0.3177 -0.3588 3614835 ACon1_001346 OCc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D03 compound treatment -8.0E-4 -8.71E-4 -0.02 0.664 0.00174 0.06 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -0.186 -0.5175 3559559 ACon1_001347 C[C@@H]1C2[C@@H](CC(C)C(=O)C/C=C(\C)/C[C@@H]2O)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D04 compound treatment -0.0408 -0.0409 -1.15 0.675 0.0127 0.41 0.0016721311475408 0.00331147540983606 0.100325715829457 -0.365 -0.2986 3614837 ACon1_001348 C[C@H]1C2[C@H](CC3C4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]8OC(=O)C)[C@]5(C)C4CC[C@]23C)O[C@]91OCC(=C)[C@H](OC%10OC(C)C(O)C(O)C%10O)[C@@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D05 compound treatment 0.0162 0.0161 0.45 0.685 0.0227 0.74 -3.27868852459182E-4 0.00131147540983608 0.0397329567641418 0.7104 0.8197 3614840 ACon1_001349 OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D06 compound treatment -0.0388 -0.0389 -1.09 0.664 0.00174 0.06 -0.0253278688524592 -0.0236885245901639 -0.717676531552304 -1.0107 -0.7741 3614842 ACon1_001350 COc1cc(OC)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(OC)c2)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D07 compound treatment 0.0042 0.00413 0.12 0.662 -2.62E-4 -0.01 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 0.0674 0.5785 1054271 ACon1_001351 COc1ccc(cc1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D08 compound treatment 0.0102 0.0102 0.28 0.683 0.0207 0.67 0.0186721311475408 0.0203114754098361 0.61536416788464 0.9083 0.9507 3614846 ACon1_001352 CC/C=C/c1ccc(C)cc1\C=C\CCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D09 compound treatment 0.0112 0.0112 0.31 0.65 -0.0123 -0.4 -0.0373278688524592 -0.0356885245901639 -1.0812330859442 -0.6734 -0.564 3614849 ACon1_001353 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D10 compound treatment -0.0158 -0.0158 -0.44 0.656 -0.00626 -0.2 -0.0313278688524592 -0.0296885245901639 -0.899454808748251 -0.8931 -0.8725 3614853 ACon1_001354 CCC(O)C(O)/C=C\C/C=C\CCCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D11 mock treatment 0.0232 0.0232 0.65 0.682 0.0197 0.64 -0.0063278688524592 -0.00468852459016394 -0.142045320431806 0.6627 0.7179 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D12 mock treatment -0.0147 -0.0148 -0.42 0.656 -0.00626 -0.2 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -0.5617 -0.9642 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D13 compound treatment -0.0178 -0.0178 -0.5 0.613 -0.0493 -1.6 -0.0383278688524592 -0.0366885245901639 -1.11152946547686 -1.8536 -0.922 3614858 ACon1_001355 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C2C(C(C2c3ccc(O)c(O)c3)c4ccc(O)c(O)c4)C(=O)OC(Cc5ccc(O)c(O)c5)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D14 compound treatment -0.0138 -0.0138 -0.39 0.697 0.0347 1.13 0.00767213114754081 0.00931147540983607 0.282103993025404 0.5897 0.4813 3614860 ACon1_001356 OC/C=C\1/CN2CC[C@]34[C@@H]2C[C@@H]1[C@@H]5[C@@H]4N(C(=O)CC5O)c6ccccc63 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D15 mock treatment -0.0098 -0.00984 -0.28 0.668 0.00574 0.19 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 -0.3087 -0.5555 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D16 mock treatment -8.0E-4 -8.21E-4 -0.02 0.68 0.0177 0.58 0.00667213114754081 0.00831147540983607 0.251807613492746 0.4645 0.7387 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D17 compound treatment -0.0047 -0.00482 -0.14 0.661 -0.00126 -0.04 0.00367213114754081 0.00531147540983607 0.160918474894773 -0.0088 -0.041 3614863 ACon1_001357 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D18 compound treatment 0.0123 0.0122 0.34 0.666 0.00374 0.12 -0.675327868852459 -0.673688524590164 -20.4103232277799 -11.5167 -0.5642 1099692 ACon1_001358 CCC1C2N3CCC24C(=C(C1CC3)C(=O)OC)Nc5ccccc54 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D19 compound treatment 0.0132 0.0131 0.37 0.666 0.00374 0.12 0.00967213114754081 0.0113114754098361 0.34269675209072 0.4807 0.9285 3614868 ACon1_001359 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C1=CC(=O)C(C)CO1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D20 compound treatment -0.0348 -0.0349 -0.98 0.64 -0.0223 -0.72 -0.0303278688524592 -0.0286885245901639 -0.869158429215593 -1.4831 -0.9927 3614872 ACon1_001360 CCC1CC2CC3(C1N(CCc4c3[nH]c5ccc(OC)cc45)C2=O)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D21 compound treatment 0.0032 0.00315 0.09 0.683 0.0207 0.67 -3.2786885245918E-4 0.00131147540983608 0.0397329567641418 0.4625 0.6802 3614874 ACon1_001361 CC(C1CC(O)C(C)(C)O1)C2CC[C@@]3(C)C4CC[C@H]5C(C)C(CC[C@]65C[C@@]46CC[C@]23C)OC7OC(COC(=O)C)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(C)C(O)C(O)C%10O)C8O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D22 compound treatment 0.0032 0.00318 0.09 0.658 -0.00426 -0.14 -0.0113278688524592 -0.00968852459016394 -0.293527218095095 -0.1979 -0.588 3614877 ACon1_001362 CC(C)C(NC=O)C(=O)N1CCC2Oc3ccc(/C=C\NC(=O)C(Cc4ccccc4)NC(=O)C21)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D23 compound treatment 0.0052 0.00515 0.14 0.672 0.00974 0.32 -0.00732786885245919 -0.00568852459016393 -0.172341699964463 0.1663 0.4288 3614881 ACon1_001363 CO[C@H]1[C@H](O)[C@@H](O)[C@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)O[C@@H]1CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 D24 compound treatment 0.0112 0.0112 0.31 0.688 0.0257 0.84 0.0176721311475408 0.0193114754098361 0.585067788351982 1.0007 0.9381 3614885 ACon1_001364 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)[N+]4([O-])C\C5=C\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E01 mock treatment 0.0092 0.00915 0.26 0.656 -0.00626 -0.2 -3.278688524592E-4 0.00131147540983606 0.0397329567641412 0.0537 0.1629 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E02 mock treatment -0.0138 -0.0139 -0.39 0.683 0.0207 0.67 -0.00132786885245918 3.1147540983608E-4 0.00943657723148402 0.1698 0.2185 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E03 compound treatment -0.0118 -0.0119 -0.33 0.662 -2.62E-4 -0.01 0.0066721311475408 0.00831147540983606 0.251807613492746 -0.0514 -0.1232 3559005 ACon1_001365 CC1OC(O[C@H]2[C@@H](C)O[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(C=O)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](OC%11OC(CO)C(O)C(O)C%11O)[C@H]2O)C(O)C(O)C1OC%12OCC(O)C(O)C%12O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E04 compound treatment 2.0E-4 1.29E-4 0.0 0.681 0.0187 0.61 -0.00732786885245919 -0.00568852459016393 -0.172341699964463 0.2537 0.4014 3472823 ACon1_001366 COc1ccc(cc1)C(C)C(=O)c2ccc(O)cc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E05 compound treatment -0.0138 -0.0139 -0.39 0.672 0.00974 0.32 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 -0.0366 -0.0731 3554702 ACon1_001367 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c(Cl)c(C)c(Cl)c2OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E06 compound treatment -0.1038 -0.104 -2.91 0.552 -0.11 -3.58 -0.0833278688524593 -0.081688524590164 -2.47486654444646 -5.1763 -0.9887 3559119 ACon1_001368 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E07 compound treatment 0.0102 0.0101 0.28 0.685 0.0227 0.74 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 0.3856 0.445 3558966 ACon1_001369 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@H]1C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E08 compound treatment -0.0818 -0.0819 -2.3 0.684 0.0217 0.71 0.00467213114754081 0.00631147540983607 0.191214854427431 -0.8075 -0.3352 3559152 ACon1_001370 OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)c4ccccc4)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E09 mock treatment 0.0052 0.00513 0.14 0.673 0.0107 0.35 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 0.2897 0.7681 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E10 mock treatment -0.0048 -0.00487 -0.14 0.656 -0.00626 -0.2 0.0186721311475408 0.0203114754098361 0.61536416788464 0.1591 0.2402 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E11 compound treatment -0.0108 -0.0109 -0.3 0.683 0.0207 0.67 0.0056721311475408 0.00731147540983606 0.221511233960088 0.3408 0.442 3554750 ACon1_001371 COC1=CC(=O)O[C@@H](CCc2ccc3OCOc3c2)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E12 compound treatment -0.2688 -0.269 -7.54 0.632 -0.0303 -0.98 6.721311475408E-4 0.00231147540983606 0.0700293362967991 -4.8785 -0.6418 3558916 ACon1_001372 CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E13 compound treatment -0.0098 -0.00987 -0.28 0.669 0.00674 0.22 6.721311475408E-4 0.00231147540983606 0.0700293362967991 0.0069 0.0192 3555404 ACon1_001373 CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4/C(=C/c5c[nH]cn5)/C(=O)N[C@]143)C(C)(C)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E14 compound treatment 0.0112 0.0111 0.31 0.662 -2.62E-4 -0.01 -0.0273278688524592 -0.0256885245901639 -0.77826929061762 -0.2738 -0.3264 3558010 ACon1_001374 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO)C(O)C(O)C4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E15 compound treatment 0.0112 0.0111 0.31 0.678 0.0157 0.51 0.0136721311475408 0.0153114754098361 0.463882270221351 0.7429 0.981 3554188 ACon1_001375 CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E16 compound treatment 0.0113 0.0112 0.31 0.664 0.00174 0.06 0.0046721311475408 0.00631147540983606 0.19121485442743 0.3239 0.872 3557363 ACon1_001376 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)[C@H](O)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E17 mock treatment -0.0098 -0.00985 -0.28 0.679 0.0167 0.54 -0.0353278688524592 -0.0336885245901639 -1.02064032687888 -0.4351 -0.366 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E18 mock treatment -0.0178 -0.0179 -0.5 0.683 0.0207 0.67 0.00667213114754081 0.00831147540983607 0.251807613492746 0.2447 0.2793 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E19 compound treatment -0.0248 -0.0249 -0.7 0.661 -0.00126 -0.04 -0.0193278688524592 -0.0176885245901639 -0.535898254356357 -0.7356 -0.8356 1001646 ACon1_001377 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]3OC(=O)C)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E20 compound treatment 2.0E-4 1.29E-4 0.0 0.643 -0.0193 -0.63 0.00867213114754082 0.0103114754098361 0.312400372558062 -0.1785 -0.2554 3557369 ACon1_001378 CC1(C[C@@H](O)[C@H]2C3[C@H]1O)C2(C)CCC[C@]3(C)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E21 compound treatment 0.0113 0.0112 0.31 0.588 -0.0743 -2.41 0.0176721311475408 0.0193114754098361 0.585067788351982 -0.8727 -0.3491 3553566 ACon1_001379 CC(C)c1cc2CCC3C(C)(COC(=O)C)C[C@H](O)C[C@]3(C)c2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E22 compound treatment 0.0063 0.00618 0.17 0.641 -0.0213 -0.69 0.00667213114754081 0.00831147540983607 0.251807613492746 -0.153 -0.2027 3558597 ACon1_001380 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E23 compound treatment 0.0043 0.00418 0.12 0.63 -0.0323 -1.05 0.00867213114754081 0.0103114754098361 0.312400372558062 -0.3565 -0.3244 3553861 ACon1_001381 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 E24 compound treatment 0.0122 0.0122 0.34 0.685 0.0227 0.74 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 0.3659 0.3949 3557439 ACon1_001382 OC(=O)C[C@@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F01 mock treatment -8.0E-4 -8.21E-4 -0.02 0.598 -0.0643 -2.09 -0.00932786885245921 -0.00768852459016395 -0.232934459029779 -1.3519 -0.6442 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F02 mock treatment -0.1408 -0.141 -3.95 0.591 -0.0713 -2.31 -0.121327868852459 -0.119688524590164 -3.62612896668745 -5.7088 -0.9777 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F03 compound treatment -0.2058 -0.206 -5.77 0.519 -0.143 -4.65 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -6.221 -0.8384 3559574 ACon1_001383 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F04 compound treatment 0.0142 0.0141 0.4 0.533 -0.129 -4.2 -0.165327868852459 -0.163688524590164 -4.95916966612439 -5.0562 -0.777 3614899 ACon1_001384 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F05 compound treatment -0.1288 -0.129 -3.61 0.48 -0.182 -5.92 -0.0873278688524592 -0.0856885245901639 -2.59605206257709 -7.0 -0.9457 3614903 ACon1_001385 C/C=C(\C)/C(=O)OC1C(OC(=O)\C=C(\C)/CC(=O)O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(=O)O)C(C)(C)C5CCC43C)C2CC1(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F06 compound treatment -0.1388 -0.139 -3.89 0.617 -0.0453 -1.47 0.0016721311475408 0.00331147540983606 0.100325715829457 -3.0378 -0.7299 2119735 ACon1_001386 C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F07 compound treatment -0.0128 -0.0129 -0.36 0.574 -0.0883 -2.86 -0.0633278688524592 -0.0616885245901639 -1.8689389537933 -2.9409 -0.8551 3614907 ACon1_001387 CCCCCCCC(O)/C=C\C(O)CCC(O)CCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F08 compound treatment 0.0212 0.0212 0.59 0.674 0.0117 0.38 -0.109327868852459 -0.107688524590164 -3.26257241229556 -1.3212 -0.3958 3614911 ACon1_001388 COc1cc(ccc1O)C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(OCC23)c5ccc(O)c(OC)c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F09 mock treatment -0.0178 -0.0178 -0.5 0.568 -0.0943 -3.06 -0.156327868852459 -0.154688524590164 -4.68650225033047 -4.7608 -0.8473 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F10 mock treatment 0.0222 0.0222 0.62 0.463 -0.199 -6.47 0.00367213114754081 0.00531147540983607 0.160918474894773 -3.2821 -0.505 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F11 compound treatment -0.0358 -0.0359 -1.01 0.682 0.0197 0.64 -0.158327868852459 -0.156688524590164 -4.74709500939579 -2.9512 -0.603 3614913 ACon1_001389 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F12 compound treatment -0.0498 -0.0499 -1.4 0.565 -0.0973 -3.16 -0.0333278688524592 -0.0316885245901639 -0.960047567813567 -3.184 -0.8885 3614916 ACon1_001390 COC(=O)C[C@H]1/C(=C/C)/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F13 compound treatment 0.0162 0.0162 0.45 0.562 -0.1 -3.25 -0.186327868852459 -0.184688524590164 -5.59539363631021 -4.8476 -0.7471 3614920 ACon1_001391 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C(CO)[C@]2(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F14 compound treatment -0.0978 -0.0979 -2.74 0.665 0.00274 0.09 0.0146721311475408 0.0163114754098361 0.494178649754008 -1.2476 -0.4473 3614922 ACon1_001392 OC/C=C\1/CN2CCC3(C2CC1C4=CCC(=O)N5C43)c6ccccc56 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F15 compound treatment 0.0073 0.00718 0.2 0.578 -0.0843 -2.73 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -1.8245 -0.6486 3614924 ACon1_001393 CC(C)CCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F16 compound treatment -0.0778 -0.0779 -2.18 0.683 0.0207 0.67 -0.100327868852459 -0.0986885245901638 -2.98990499650163 -2.5982 -0.6905 1244529 ACon1_001394 CN1CCc2cc3OCOc3c4-c5ccccc5CC1c24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F17 mock treatment 0.0182 0.0182 0.51 0.607 -0.0553 -1.79 0.0136721311475408 0.0153114754098361 0.463882270221351 -0.4737 -0.2466 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F18 mock treatment -0.0118 -0.0119 -0.33 0.693 0.0307 1.0 -0.00832786885245919 -0.00668852459016393 -0.202638079497121 0.2671 0.2495 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F19 compound treatment 0.0192 0.0192 0.54 0.655 -0.00726 -0.24 -0.104327868852459 -0.102688524590164 -3.11109051463227 -1.6221 -0.5124 3614927 ACon1_001395 COc1cc-2c(C[C@H]3COC(=O)[C@@H]3Cc4c(OC)c(OC)c(OC)cc42)c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F20 compound treatment -0.5658 -0.566 -15.86 0.673 0.0107 0.35 -0.0823278688524592 -0.0806885245901639 -2.4445701649138 -10.3697 -0.6459 3614931 ACon1_001396 CC(=O)N1CCC(CCC(=O)c2ccnc3ccccc23)C(C1)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F21 compound treatment -0.0508 -0.0509 -1.43 0.68 0.0177 0.58 -0.116327868852459 -0.114688524590164 -3.47464706902416 -2.4969 -0.6571 3614932 ACon1_001397 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C[C@@H]4C(=CC[C@H]5[C@]6(C)C[C@@H](O)[C@H]([C@@](C)(OC(=O)C)C(=O)/C=C/C(C)(C)O)[C@@]6(C)CC(=O)[C@]54C)C(C)(C)C3=O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F22 compound treatment -0.0138 -0.0139 -0.39 0.635 -0.0273 -0.88 -0.115327868852459 -0.113688524590164 -3.4443506894915 -2.7236 -0.7614 3614935 ACon1_001398 CCN1C[C@]2(COC)CC[C@H](O)[C@]3(C4C[C@H]5[C@@H](OC(=O)C)C4[C@@](C[C@@H]5OC)(OC(=O)C)C6[C@H](OC)C32)[C@@H]61 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F23 compound treatment -0.1698 -0.17 -4.76 0.64 -0.0223 -0.72 -0.0913278688524592 -0.089688524590164 -2.71723758070772 -4.7357 -0.8563 3554229 ACon1_001399 CCCc1c(C(=O)O)c(O)cc2C(=O)c3cccc(O)c3C(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 F24 compound treatment 0.0072 0.00716 0.2 0.595 -0.0673 -2.18 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -1.4888 -0.6553 3614940 ACon1_001400 CN1CCc2cc3OCOc3cc2C4OC(O)c5c6OCOc6ccc5C41 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G01 compound treatment 0.0123 0.0122 0.34 0.66 -0.00226 -0.07 -0.0063278688524592 -0.00468852459016394 -0.142045320431806 0.0727 0.1929 3554156 ACon1_001401 CCC(C)C1NC(=O)C(CCC(=O)O)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(OC(=O)C(CCC(=O)O)N(C)C(=O)C(NC(=O)C4CCCCN4C1=O)C(C)C)C(C)CC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G02 compound treatment -0.0058 -0.00584 -0.16 0.654 -0.00826 -0.27 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 -0.2789 -0.8761 3558958 ACon1_001402 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G03 mock treatment 0.0062 0.00615 0.17 0.681 0.0187 0.61 0.0136721311475408 0.0153114754098361 0.463882270221351 0.7185 0.9164 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G04 mock treatment 0.0322 0.0321 0.9 0.681 0.0187 0.61 0.00967213114754081 0.0113114754098361 0.34269675209072 1.069 0.9381 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G05 compound treatment 0.0292 0.0292 0.82 0.699 0.0367 1.19 -0.0373278688524592 -0.0356885245901639 -1.0812330859442 0.5361 0.297 3557320 ACon1_001403 CN/1C(=O)c2ccccc2NC(=O)\C1=C/c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G06 compound treatment -0.0188 -0.0188 -0.53 0.634 -0.0283 -0.92 -0.0273278688524592 -0.0256885245901639 -0.77826929061762 -1.2839 -0.9772 3559121 ACon1_001404 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G07 compound treatment 0.0352 0.0352 0.99 0.701 0.0387 1.26 0.0196721311475408 0.0213114754098361 0.645660547417298 1.6678 0.9679 3559035 ACon1_001405 OC[C@@]12O[C@H]2[C@@H](O)[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G08 compound treatment 0.0322 0.0322 0.9 0.683 0.0207 0.67 0.0216721311475408 0.0233114754098361 0.706253306482613 1.3169 0.9913 3559216 ACon1_001406 CC(=CCC/C(=C/Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G09 compound treatment -0.0908 -0.0909 -2.55 0.684 0.0217 0.71 0.0326721311475408 0.0343114754098361 1.03951348134185 -0.4635 -0.1632 3559155 ACon1_001407 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)C[C@@H](O)[C@@]31O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G10 compound treatment 0.0083 0.00818 0.23 0.688 0.0257 0.84 0.0156721311475408 0.0173114754098361 0.524475029286666 0.9175 0.906 1089114 ACon1_001408 COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G11 compound treatment 0.0103 0.0102 0.29 0.684 0.0217 0.71 0.0186721311475408 0.0203114754098361 0.61536416788464 0.9274 0.9476 3553711 ACon1_001409 CC(CCCc1ccoc1)C2CC=C(CCC=C(C)C)C(=O)O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G12 compound treatment 0.0082 0.00816 0.23 0.638 -0.0243 -0.79 0.0256721311475408 0.0273114754098361 0.827438824613244 0.1552 0.1332 3557253 ACon1_001410 CC(=CCC/C(=C/CC[C@]1(C)Oc2c3CNC(=O)c3cc(O)c2C[C@@H]1O)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G13 compound treatment 0.0252 0.0252 0.71 0.68 0.0177 0.58 0.0186721311475408 0.0203114754098361 0.61536416788464 1.0949 0.9963 3554972 ACon1_001411 COc1cc(O)c(CCO)c2O[C@H](C)CC(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G14 compound treatment -0.1528 -0.153 -4.29 0.653 -0.00926 -0.3 0.0236721311475408 0.0253114754098361 0.766846065547929 -2.205 -0.5053 3557300 ACon1_001412 CC(O)CC1CCC(O1)C(C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G15 compound treatment 0.0312 0.0311 0.87 0.687 0.0247 0.8 0.0216721311475408 0.0233114754098361 0.706253306482613 1.3752 0.9963 3553811 ACon1_001413 CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G16 compound treatment 0.0172 0.0171 0.48 0.679 0.0167 0.54 0.0136721311475408 0.0153114754098361 0.463882270221351 0.859 0.9976 3558027 ACon1_001414 C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G17 compound treatment 0.0342 0.0342 0.96 0.687 0.0247 0.8 0.0296721311475408 0.0313114754098361 0.948624342743876 1.5642 0.9969 3553505 ACon1_001415 CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G18 compound treatment 0.0292 0.0291 0.82 0.668 0.00574 0.19 0.0126721311475408 0.0143114754098361 0.433585890688693 0.8294 0.8793 3557922 ACon1_001416 CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G19 mock treatment 0.0252 0.0252 0.71 0.683 0.0207 0.67 0.00467213114754081 0.00631147540983607 0.191214854427431 0.9062 0.9121 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G20 mock treatment 0.0053 0.00518 0.15 0.69 0.0277 0.9 0.0186721311475408 0.0203114754098361 0.61536416788464 0.9589 0.8716 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G21 compound treatment 0.0292 0.0291 0.82 0.685 0.0227 0.74 0.00467213114754081 0.00631147540983607 0.191214854427431 1.008 0.9022 3552815 ACon1_001417 C[C@]1(C[C@]2(O)O[C@@H]3O1)[C@]4(C[C@@H]2[C@@]34COC(=O)c5ccccc5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G22 compound treatment 0.0043 0.00418 0.12 0.676 0.0137 0.45 0.00367213114754081 0.00531147540983607 0.160918474894773 0.418 0.856 1109010 ACon1_001418 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5cc(OC)c(OC)c(OC)c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G23 compound treatment 0.0162 0.0161 0.45 0.685 0.0227 0.74 0.0106721311475408 0.0123114754098361 0.372993131623377 0.9028 0.9577 3557629 ACon1_001419 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(O)C(O)C4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 G24 compound treatment -0.0057 -0.00582 -0.16 0.678 0.0157 0.51 0.00567213114754081 0.00731147540983607 0.221511233960088 0.3286 0.5664 3553937 ACon1_001420 CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H01 compound treatment 0.0212 0.0211 0.59 0.672 0.00974 0.32 -3.27868852459196E-4 0.00131147540983606 0.0397329567641414 0.5477 0.8138 3555028 ACon1_001421 COc1cc2C(O)CCC(=O)c2c(O)c1CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H02 compound treatment -0.0048 -0.00487 -0.14 0.436 -0.226 -7.34 6.72131147540798E-4 0.00231147540983606 0.070029336296799 -4.278 -0.5825 3614951 ACon1_001422 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H03 mock treatment -0.0018 -0.00187 -0.05 0.663 7.38E-4 0.02 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 -0.046 -0.5967 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H04 mock treatment 0.0112 0.0111 0.31 0.682 0.0197 0.64 0.0156721311475408 0.0173114754098361 0.524475029286666 0.8528 0.9639 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H05 compound treatment 0.0382 0.0381 1.07 0.703 0.0407 1.32 0.0406721311475408 0.0423114754098361 1.28188451760311 2.1206 0.9959 1074963 ACon1_001423 Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(=C7C(=O)c8c(O)cc(C)cc8C(=O)C647)O)C53C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H06 compound treatment 0.0192 0.0191 0.54 0.663 7.38E-4 0.02 0.0086721311475408 0.0103114754098361 0.312400372558062 0.5042 0.811 3614955 ACon1_001424 CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(CC(=O)O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC3OC(CO)C(O)C(O)C3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H07 compound treatment 0.0152 0.0152 0.43 0.676 0.0137 0.45 0.0216721311475408 0.0233114754098361 0.706253306482613 0.9106 0.9716 3614956 ACon1_001425 C[C@H]1OC(=O)[C@@]2(C(=C)[C@]3(C)C[C@@H]4C(=C)[C@]5(CC[C@]42C)C=CC(=O)OC5(C)C)[C@@]1(O)C3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H08 compound treatment 0.0042 0.00415 0.12 0.677 0.0147 0.48 0.0146721311475408 0.0163114754098361 0.494178649754008 0.6286 0.9012 3614960 ACon1_001426 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H09 compound treatment 0.0292 0.0291 0.82 0.666 0.00374 0.12 6.72131147540799E-4 0.00231147540983606 0.070029336296799 0.582 0.7024 3614965 ACon1_001427 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O)[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O[C@@H]%11OC[C@H](O)[C@H](O)[C@H]%11O)[C@H]%10O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H10 compound treatment 0.0013 0.00118 0.03 0.704 0.0417 1.35 0.0406721311475408 0.0423114754098361 1.28188451760311 1.5413 0.8263 3614969 ACon1_001428 C[C@H]1OC(=O)CC[C@@H](O)/C=C/[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H11 compound treatment 0.0052 0.00515 0.14 0.677 0.0147 0.48 0.0156721311475408 0.0173114754098361 0.524475029286666 0.6623 0.9143 3614972 ACon1_001429 COc1cc(ccc1O)C2OC(c3ccc(O)c(OC)c3)C(C)(O)C2C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H12 compound treatment 0.0153 0.0152 0.43 0.682 0.0197 0.64 0.0126721311475408 0.0143114754098361 0.433585890688693 0.8659 0.9808 3614974 ACon1_001430 C[C@@H]1CCC2C(C)(C)[C@H](OC(=O)C)[C@@H](O)C[C@]2(C)C31Cc4c(O3)c5CN([C@@H](CCC(=O)O)C(=O)O)C(=O)c5cc4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H13 compound treatment 0.0202 0.0202 0.57 0.665 0.00274 0.09 -0.0313278688524592 -0.0296885245901639 -0.899454808748251 -0.1417 -0.1329 3559258 ACon1_001431 CC1OC(OC2C(O)C(CO)OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C3(C)C)C2O)C(O)C(OC%10OCC(O)(CO)C%10O)C1OC%11OCC(O)(CO)C%11O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H14 compound treatment 0.0123 0.0122 0.34 0.685 0.0227 0.74 0.0246721311475408 0.0263114754098361 0.797142445080587 1.0834 0.9515 3614977 ACon1_001432 COc1cc2N3C4C5C(CC3=O)OCC=C6CN(C)CCC4(C(=O)CC56)c2cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H15 compound treatment 0.0302 0.0301 0.84 0.695 0.0327 1.06 0.0306721311475408 0.0323114754098361 0.978920722276534 1.6663 0.9957 3614978 ACon1_001433 CC1CC(=O)C2=C(O1)OC3(C)CCC4C(C)(C)C(O)CC(O)C4(C)C3C2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H16 compound treatment 0.0262 0.0262 0.73 0.683 0.0207 0.67 -0.00932786885245918 -0.00768852459016392 -0.232934459029779 0.6775 0.6627 3614980 ACon1_001434 OC(C1CC2CC[N+]1([O-])CC2C=C)c3ccnc4ccccc34 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H17 compound treatment 0.0202 0.0202 0.57 0.693 0.0307 1.0 0.0206721311475408 0.0223114754098361 0.675956926949955 1.2925 0.9711 3614982 ACon1_001435 CC1OC(OC2C(O)C(OC3OC(C)C(OC(=O)C)C(O)C3O)C(CO)OC2OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](OC9OC(CO)C(OC%10OC(CO)C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)C(O)C9O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H18 compound treatment -0.0018 -0.00182 -0.05 0.663 7.38E-4 0.02 0.0046721311475408 0.00631147540983606 0.19121485442743 0.0947 0.4753 3614986 ACon1_001436 C=CC1CN(CCC1CCC(=O)c2ccnc3ccccc23)C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H19 mock treatment 0.0063 0.00618 0.17 0.665 0.00274 0.09 0.00467213114754081 0.00631147540983607 0.191214854427431 0.2617 0.959 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H20 mock treatment 0.0192 0.0192 0.54 0.68 0.0177 0.58 0.0116721311475408 0.0133114754098361 0.403289511156035 0.8753 0.9895 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H21 compound treatment 0.0103 0.0102 0.29 0.669 0.00674 0.22 0.00667213114754081 0.00831147540983607 0.251807613492746 0.4364 0.9942 3614988 ACon1_001437 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C=CC(C3=O)c5ccc(O)c(O)c45)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H22 compound treatment -0.0798 -0.0799 -2.24 0.615 -0.0473 -1.53 -0.0473278688524592 -0.0456885245901639 -1.38419688127078 -2.9773 -0.9773 3614991 ACon1_001438 C=Cc1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H23 compound treatment 0.0052 0.00515 0.14 0.691 0.0287 0.93 0.0336721311475408 0.0353114754098361 1.06980986087451 1.2395 0.8688 3614994 ACon1_001439 CC1OC(O[C@H]2[C@@H](O)C[C@]3(C)C4CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]5(C)[C@]4(C)C[C@@H](O)C3[C@]2(C)CO)C(=O)OC7OC(C)C(OC8OCC(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)C7O)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 H24 compound treatment 0.0232 0.0232 0.65 0.66 -0.00226 -0.07 0.00367213114754081 0.00531147540983607 0.160918474894773 0.4254 0.6321 3614997 ACon1_001440 CN1Cc2cc3OCOc3cc2CCC(=O)c4cc5OCOc5cc4C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I01 compound treatment 0.0022 0.00215 0.06 0.643 -0.0193 -0.63 -0.0313278688524592 -0.0296885245901639 -0.899454808748251 -0.8454 -0.7707 3552717 ACon1_001441 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CN([C@@H](CCC(=O)O)C(=O)O)C(=O)c5cc4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I02 compound treatment -0.0148 -0.0149 -0.42 0.672 0.00974 0.32 -0.0063278688524592 -0.00468852459016394 -0.142045320431806 -0.1403 -0.2587 3559086 ACon1_001442 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I03 compound treatment 0.0063 0.00618 0.17 0.637 -0.0253 -0.82 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -0.5778 -0.6351 3559083 ACon1_001443 OCC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I04 compound treatment -0.0168 -0.0168 -0.47 0.652 -0.0103 -0.33 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -0.8093 -0.9745 3559093 ACon1_001444 COc1cc(ccc1O)[C@@H]2[C@@H](CO)[C@](O)(CO)Cc3cc(OC)c(O)cc23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I05 mock treatment 0.0063 0.00618 0.17 0.661 -0.00126 -0.04 0.00467213114754081 0.00631147540983607 0.191214854427431 0.1868 0.7149 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I06 mock treatment -0.0178 -0.0178 -0.5 0.655 -0.00726 -0.24 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 -0.6818 -0.9606 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I07 compound treatment 0.0043 0.00418 0.12 0.655 -0.00726 -0.24 -0.00432786885245919 -0.00268852459016393 -0.0814525613664897 -0.1154 -0.4189 3558957 ACon1_001445 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I08 compound treatment -0.0108 -0.0108 -0.3 0.652 -0.0103 -0.33 -0.0153278688524592 -0.0136885245901639 -0.414712736225726 -0.6072 -0.9912 3557372 ACon1_001446 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC3[C@@]4(C)CC[C@H](O)C[C@]54OO[C@@]23C=C5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I09 compound treatment 0.0112 0.0112 0.31 0.656 -0.00626 -0.2 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 0.0687 0.1842 3615002 ACon1_001447 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)O[C@@]%101CC[C@@](C)(CO[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)O%10 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I10 compound treatment 0.0092 0.00915 0.26 0.676 0.0137 0.45 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 0.376 0.7273 3558208 ACon1_001448 COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@@H]3C4O[C@]4(CO)C5C3C=CO[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H]2OC(=O)C)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I11 compound treatment -0.0078 -0.00784 -0.22 0.648 -0.0143 -0.46 0.0206721311475408 0.0223114754098361 0.675956926949955 -0.0039 -0.0046 3553143 ACon1_001449 C[C@H]1CC[C@H]2O[C@]23C(=O)c4occ(C)c4[C@@H](OC(=O)C)[C@]13C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I12 compound treatment 0.0013 0.00118 0.03 0.667 0.00474 0.15 -0.0093278688524592 -0.00768852459016394 -0.232934459029779 -0.0266 -0.0947 3557701 ACon1_001450 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I13 compound treatment 0.0032 0.00318 0.09 0.664 0.00174 0.06 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 0.0545 0.4648 3552066 ACon1_001451 C/C=C/C=C/C(=C/1\[C@@H]2[C@@H]([C@@H](C(=O)\C=C\C=C\C)[C@](C)(C1=O)C(=O)C2(C)O)[C@]3(C)OC(=O)C(=C3O)C)/O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I14 compound treatment -0.0177 -0.0178 -0.5 0.653 -0.00926 -0.3 -0.0313278688524592 -0.0296885245901639 -0.899454808748251 -0.9813 -0.9155 3558037 ACon1_001452 OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)c3c(O)cccc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I15 compound treatment -0.0108 -0.0108 -0.3 0.668 0.00574 0.19 0.00167213114754081 0.00331147540983607 0.100325715829457 -0.01 -0.0271 3555441 ACon1_001453 CSCC1OC(C(O)C1O)n2cnc3c(=O)[nH]cnc23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I16 compound treatment -0.0138 -0.0139 -0.39 0.656 -0.00626 -0.2 0.0026721311475408 0.00431147540983606 0.130622095362115 -0.2665 -0.582 3557495 ACon1_001454 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I17 compound treatment 0.0062 0.00613 0.17 0.656 -0.00626 -0.2 -0.0253278688524592 -0.0236885245901639 -0.717676531552304 -0.4325 -0.565 3555348 ACon1_001455 COc1nc(C/C=C(\C)/C\C=C\C(=C\[C@@H](C)[C@@H](O)\C(=C\C)\C)\C)c(C)c(O)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I18 compound treatment 0.0342 0.0341 0.96 0.644 -0.0183 -0.59 -0.0183278688524592 -0.0166885245901639 -0.5056018748237 -0.0816 -0.0662 3559191 ACon1_001456 CC(C)C[C@@](O)([C@H](O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I19 compound treatment -0.0028 -0.00287 -0.08 0.663 7.38E-4 0.02 0.0146721311475408 0.0163114754098361 0.494178649754008 0.2527 0.5041 3555032 ACon1_001457 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I20 compound treatment -0.0158 -0.0158 -0.44 0.667 0.00474 0.15 -0.0043278688524592 -0.00268852459016394 -0.08145256136649 -0.2147 -0.45 3559208 ACon1_001458 COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4C(=O)O)CC[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I21 mock treatment 0.0222 0.0222 0.62 0.662 -2.62E-4 -0.01 -0.0173278688524592 -0.0156885245901639 -0.475305495291042 0.0794 0.1015 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I22 mock treatment 0.0033 0.00318 0.09 0.253 -0.409 -13.28 0.0116721311475408 0.0133114754098361 0.403289511156035 -7.3843 -0.5557 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I23 compound treatment 0.0192 0.0192 0.54 0.676 0.0137 0.45 0.00567213114754081 0.00731147540983607 0.221511233960088 0.6954 0.9495 3552080 ACon1_001459 C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 I24 compound treatment -0.0077 -0.00782 -0.22 0.654 -0.00826 -0.27 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -0.6433 -0.8983 3557310 ACon1_001460 CC(O)Cc1cc2c(C)cc(O)cc2c(=O)o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J01 compound treatment -0.0168 -0.0168 -0.47 0.647 -0.0153 -0.5 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -0.9204 -0.9919 3557337 ACon1_001461 C[C@H](O)CC1=C[C@H](O)[C@@H](C)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J02 compound treatment -0.0438 -0.0439 -1.23 0.656 -0.00626 -0.2 -0.0093278688524592 -0.00768852459016394 -0.232934459029779 -0.962 -0.7585 3553966 ACon1_001462 CC1CC(=O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J03 compound treatment -0.0308 -0.0309 -0.87 0.631 -0.0313 -1.01 -0.0373278688524592 -0.0356885245901639 -1.0812330859442 -1.7097 -0.9959 3559779 ACon1_001463 C[C@H]1[C@@H](O)[C@H](O)C[C@]2(C)CC[C@H](C=C12)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J04 compound treatment 0.0022 0.00218 0.06 0.627 -0.0353 -1.14 -0.0103278688524592 -0.00868852459016394 -0.263230838562437 -0.7774 -0.6611 3615013 ACon1_001464 CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J05 mock treatment -0.0188 -0.0189 -0.53 0.666 0.00374 0.12 -0.0113278688524592 -0.00968852459016394 -0.293527218095095 -0.4046 -0.6561 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J06 mock treatment -0.0188 -0.0188 -0.53 0.664 0.00174 0.06 -0.637327868852459 -0.635688524590164 -19.2590608055389 -11.3916 -0.5913 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J07 compound treatment -0.0127 -0.0128 -0.36 0.639 -0.0233 -0.75 -0.0263278688524592 -0.0246885245901639 -0.747972911084962 -1.0753 -0.9584 3615015 ACon1_001465 COC(=O)Cc1c(CCC(=O)O)oc2cc(C)cc(O)c2c1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J08 compound treatment -0.0448 -0.0449 -1.26 0.613 -0.0493 -1.6 -0.0193278688524592 -0.0176885245901639 -0.535898254356357 -1.9588 -0.9311 1057044 ACon1_001466 COc1ccc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J09 compound treatment -0.0548 -0.0549 -1.54 0.669 0.00674 0.22 -0.0183278688524592 -0.0166885245901639 -0.5056018748237 -1.0539 -0.6449 3615018 ACon1_001467 O[C@@H]1CO[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J10 compound treatment -0.0188 -0.0188 -0.53 0.663 7.38E-4 0.02 -0.0023278688524592 -6.8852459016394E-4 -0.0208598023011744 -0.3032 -0.5729 3615022 ACon1_001468 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC4C3(C)C=CC(=O)OC4(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J11 compound treatment -0.0048 -0.00484 -0.14 0.653 -0.00926 -0.3 -0.0283278688524592 -0.0266885245901639 -0.808565670150278 -0.7187 -0.8231 3615023 ACon1_001469 CC1CCC2C(C)(C)CCCC2(C)C1(O)/C=C/C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J12 compound treatment -0.0088 -0.00884 -0.25 0.641 -0.0213 -0.69 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -0.9034 -0.9365 2060335 ACon1_001470 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J13 compound treatment -0.0208 -0.0209 -0.59 0.609 -0.0533 -1.73 -0.0203278688524592 -0.0186885245901639 -0.566194633889015 -1.6627 -0.8702 3615027 ACon1_001471 C[C@H]1[C@H]2OC3=C(C(=O)OC3(C)O)C(=O)[C@]1(C)[C@H]4CCCC[C@]4(O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J14 compound treatment -0.0298 -0.0299 -0.84 0.64 -0.0223 -0.72 -0.0113278688524592 -0.00968852459016394 -0.293527218095095 -1.0701 -0.9351 3615031 ACon1_001472 C1Oc2cc3CCNC4Cc5ccccc5-c(c2O1)c43 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J15 compound treatment -0.0208 -0.0209 -0.58 0.658 -0.00426 -0.14 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -0.6218 -0.8917 3557473 ACon1_001473 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J16 compound treatment -0.0058 -0.00587 -0.16 0.572 -0.0903 -2.93 -0.0153278688524592 -0.0136885245901639 -0.414712736225726 -2.0258 -0.6836 1093674 ACon1_001474 COc1ccc(Cc2nccc3cc(O)c(OC)cc23)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J17 compound treatment -0.0048 -0.00482 -0.14 0.645 -0.0173 -0.56 -0.0373278688524592 -0.0356885245901639 -1.0812330859442 -1.0258 -0.8372 3615035 ACon1_001475 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J18 compound treatment -0.0037 -0.00382 -0.11 0.671 0.00874 0.28 -0.0023278688524592 -6.8852459016394E-4 -0.0208598023011744 0.0898 0.2957 1014127 ACon1_001476 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC21 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J19 compound treatment -0.0798 -0.0799 -2.24 0.598 -0.0643 -2.09 -0.0733278688524592 -0.0716885245901639 -2.17190274911988 -3.751 -0.9996 3615039 ACon1_001477 COC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J20 compound treatment 0.0142 0.0142 0.4 0.661 -0.00126 -0.04 0.00167213114754081 0.00331147540983607 0.100325715829457 0.2635 0.6402 3615041 ACon1_001478 CCC1C2C34CC[N+]2([O-])CCC1C(=C4Nc5c3cccc5OC)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J21 mock treatment 0.0012 0.00118 0.03 0.668 0.00574 0.19 0.00367213114754081 0.00531147540983607 0.160918474894773 0.2195 0.8839 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J22 mock treatment 0.0052 0.00515 0.14 0.626 -0.0363 -1.18 -0.0303278688524592 -0.0286885245901639 -0.869158429215593 -1.0979 -0.7468 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J23 compound treatment -0.0168 -0.0168 -0.47 0.642 -0.0203 -0.66 -0.0233278688524592 -0.0216885245901639 -0.657083772486989 -1.0316 -0.9894 3615043 ACon1_001479 CCCC(O)c1c(O)cccc1C/2(O)CC(=O)C\C2=C/C(O)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 J24 compound treatment -0.0057 -0.00582 -0.16 0.663 7.38E-4 0.02 0.00367213114754081 0.00531147540983607 0.160918474894773 0.0125 0.0543 3615046 ACon1_001480 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K01 compound treatment 0.0242 0.0242 0.68 0.653 -0.00926 -0.3 0.0076721311475408 0.00931147540983606 0.282103993025404 0.3804 0.4797 3559758 ACon1_001481 CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K02 compound treatment -0.0058 -0.00587 -0.16 0.67 0.00774 0.25 0.0016721311475408 0.00331147540983606 0.100325715829457 0.1079 0.3408 3559087 ACon1_001482 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K03 compound treatment -0.0018 -0.00187 -0.05 0.666 0.00374 0.12 0.0016721311475408 0.00331147540983606 0.100325715829457 0.0977 0.5887 3559128 ACon1_001483 C[N+](C)(C)C(Cc1ccccc1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K04 compound treatment 0.0052 0.00515 0.14 0.675 0.0127 0.41 0.0126721311475408 0.0143114754098361 0.433585890688693 0.5724 0.9288 3558370 ACon1_001484 CC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K05 compound treatment 0.0032 0.00318 0.09 0.684 0.0217 0.71 0.0186721311475408 0.0203114754098361 0.61536416788464 0.8141 0.8657 3559003 ACon1_001485 COc1ccc(CC2C(Cc3ccc4OCOc4c3)COC2=O)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K06 compound treatment 0.0192 0.0191 0.54 0.688 0.0257 0.84 0.0026721311475408 0.00431147540983606 0.130622095362115 0.8676 0.8663 3553192 ACon1_001486 CC(=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K07 mock treatment -0.0068 -0.00684 -0.19 0.673 0.0107 0.35 0.0176721311475408 0.0193114754098361 0.585067788351982 0.4283 0.6053 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K08 mock treatment 0.0113 0.0112 0.31 0.687 0.0247 0.8 0.0216721311475408 0.0233114754098361 0.706253306482613 1.0522 0.9443 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K09 compound treatment 0.0162 0.0161 0.45 0.711 0.0487 1.58 0.0186721311475408 0.0203114754098361 0.61536416788464 1.5299 0.871 3554961 ACon1_001487 COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K10 compound treatment -0.3208 -0.321 -9.0 0.66 -0.00226 -0.07 0.0106721311475408 0.0123114754098361 0.372993131623377 -5.021 -0.5576 3558843 ACon1_001488 COc1cc2c(ccc3cc(OC)c(OC)c(O)c32)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K11 compound treatment 0.0182 0.0181 0.51 0.446 -0.216 -7.02 0.0086721311475408 0.0103114754098361 0.312400372558062 -3.5781 -0.508 1254 ACon1_001489 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K12 compound treatment 0.0282 0.0281 0.79 0.694 0.0317 1.03 0.0306721311475408 0.0323114754098361 0.978920722276534 1.6155 0.9939 3557313 ACon1_001490 C[C@H]1CC[C@@H]2[C@H]([C@@H](C)C=C[C@H]2C1)C(=O)c3c(O)c(c[nH]c3=O)[C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K13 compound treatment -0.0118 -0.0118 -0.33 0.671 0.00874 0.28 0.00267213114754081 0.00431147540983607 0.130622095362115 0.0475 0.1042 3555009 ACon1_001491 COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(c4c5[C@H](O)[C@H](C)OCc5c(O)c6c(OC)cc(OC)cc46)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K14 compound treatment 0.0132 0.0131 0.37 0.674 0.0117 0.38 0.00967213114754081 0.0113114754098361 0.34269675209072 0.6306 0.999 3559158 ACon1_001492 Cc1ccc2C(=O)c3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc3C(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K15 mock treatment 0.0362 0.0362 1.01 0.692 0.0297 0.97 0.0296721311475408 0.0313114754098361 0.948624342743876 1.6902 0.9996 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K16 mock treatment 0.0162 0.0162 0.45 0.688 0.0257 0.84 0.0256721311475408 0.0273114754098361 0.827438824613244 1.2216 0.9695 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K17 compound treatment 0.0022 0.00218 0.06 0.675 0.0127 0.41 0.0136721311475408 0.0153114754098361 0.463882270221351 0.5418 0.8677 3552826 ACon1_001493 C[C@]1(CO)CCC[C@@]2(C)C1[C@H](O)CC3=C2COC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K18 compound treatment 0.0262 0.0262 0.73 0.675 0.0127 0.41 0.0136721311475408 0.0153114754098361 0.463882270221351 0.93 0.9674 3559193 ACon1_001494 CC(C)C[C@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)OCc4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K19 compound treatment 0.0212 0.0212 0.59 0.677 0.0147 0.48 0.0186721311475408 0.0203114754098361 0.61536416788464 0.9739 0.9943 3557988 ACon1_001495 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K20 compound treatment -0.0037 -0.00382 -0.11 0.68 0.0177 0.58 0.0126721311475408 0.0143114754098361 0.433585890688693 0.5208 0.7149 3557832 ACon1_001496 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K21 compound treatment 0.0232 0.0231 0.65 0.678 0.0157 0.51 0.00267213114754081 0.00431147540983607 0.130622095362115 0.7447 0.8911 3557515 ACon1_001497 OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K22 compound treatment 0.0022 0.00218 0.06 0.683 0.0207 0.67 0.0226721311475408 0.0243114754098361 0.736549686015271 0.8491 0.8494 3559214 ACon1_001498 CC/C=C\C=C\1/C(CCCCCCCC(=O)O)C=CC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K23 mock treatment 0.0192 0.0192 0.54 0.683 0.0207 0.67 0.0146721311475408 0.0163114754098361 0.494178649754008 0.984 0.9911 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 K24 mock treatment 0.0113 0.0112 0.31 0.688 0.0257 0.84 0.0186721311475408 0.0203114754098361 0.61536416788464 1.0185 0.9397 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L01 compound treatment -0.0168 -0.0169 -0.47 0.652 -0.0103 -0.33 -0.0093278688524592 -0.00768852459016394 -0.232934459029779 -0.5999 -0.9619 3552939 ACon1_001499 C[C@H](O)c1nc2ccccc2c(=O)[nH]1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L02 compound treatment -0.0128 -0.0128 -0.36 0.669 0.00674 0.22 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 -0.1111 -0.2619 3615055 ACon1_001500 CC/C=C/c1ccc(C)cc1CCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L03 compound treatment -8.0E-4 -8.21E-4 -0.02 0.659 -0.00326 -0.11 -0.0103278688524592 -0.00868852459016394 -0.263230838562437 -0.2264 -0.7953 3559801 ACon1_001501 C[C@@H]1[C@H]2[C@H](OC1=O)[C@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L04 compound treatment 0.0072 0.00715 0.2 0.637 -0.0253 -0.82 -0.0253278688524592 -0.0236885245901639 -0.717676531552304 -0.772 -0.6968 3615060 ACon1_001502 COc1cc(O)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(O)c2)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L05 compound treatment -0.0158 -0.0158 -0.44 0.668 0.00574 0.19 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 -0.1784 -0.3685 3615064 ACon1_001503 COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L06 compound treatment 0.0242 0.0242 0.68 0.674 0.0117 0.38 -0.0063278688524592 -0.00468852459016394 -0.142045320431806 0.529 0.6696 3615066 ACon1_001504 CCCC1=C(/C=C/C(=O)O)C(=O)C(O1)C(C)(C)C2OC(=C(/C=C/C(=O)O)C2=O)CCC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L07 mock treatment 0.0072 0.00715 0.2 0.667 0.00474 0.15 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -0.1399 -0.2159 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L08 mock treatment 0.0112 0.0111 0.31 0.66 -0.00226 -0.07 -0.0373278688524592 -0.0356885245901639 -1.0812330859442 -0.4862 -0.431 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L09 compound treatment 0.0232 0.0232 0.65 0.686 0.0237 0.77 -0.0053278688524592 -0.00368852459016394 -0.111748940899148 0.7552 0.7449 2113350 ACon1_001505 COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L10 compound treatment -0.0128 -0.0128 -0.36 0.684 0.0217 0.71 0.0176721311475408 0.0193114754098361 0.585067788351982 0.5372 0.5456 3615071 ACon1_001506 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OC[C@@H]3[C@H](C)[C@H](C[C@H]3C(CO)CO)OC(=O)CC4\C(=C\C)\C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L11 compound treatment 3.0E-4 1.79E-4 0.01 0.67 0.00774 0.25 0.0076721311475408 0.00931147540983606 0.282103993025404 0.3108 0.8227 3615072 ACon1_001507 CC1CC(=O)[C@]2(C)CC[C@]3(C)C(=C(O)C(O)C4[C@@]5(C)CC[C@H](O)C(C)(C5CC[C@]43C)C(=O)O)C2C1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L12 compound treatment -0.0028 -0.00287 -0.08 0.663 7.38E-4 0.02 0.0016721311475408 0.00331147540983606 0.100325715829457 0.0253 0.1932 3557524 ACon1_001508 OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L13 compound treatment 0.0192 0.0192 0.54 0.671 0.00874 0.28 -0.0113278688524592 -0.00968852459016394 -0.293527218095095 0.3044 0.4512 3615077 ACon1_001509 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/COC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L14 compound treatment -0.0088 -0.00882 -0.25 0.668 0.00574 0.19 0.00567213114754081 0.00731147540983607 0.221511233960088 0.0926 0.2433 3615080 ACon1_001510 CCC(O)CC1CCCC(CC(O)c2ccccc2)N1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L15 mock treatment 0.0182 0.0182 0.51 0.655 -0.00726 -0.24 -0.0113278688524592 -0.00968852459016394 -0.293527218095095 -0.0116 -0.0183 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L16 mock treatment 0.0152 0.0151 0.42 0.683 0.0207 0.67 0.0026721311475408 0.00431147540983606 0.130622095362115 0.7092 0.8794 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L17 compound treatment -0.0288 -0.0289 -0.81 0.686 0.0237 0.77 0.0206721311475408 0.0223114754098361 0.675956926949955 0.368 0.2819 3615082 ACon1_001511 C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@]5(O[C@@]6(O)[C@H]7C[C@@H](O)[C@H]5[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O)[C@@]7(C)CC[C@@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L18 compound treatment 0.0252 0.0252 0.71 0.665 0.00274 0.09 -0.0023278688524592 -6.8852459016394E-4 -0.0208598023011744 0.4465 0.6278 3615084 ACon1_001512 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@@](C[C@@H]5OC)(OC)C6[C@@H](OC(=O)C)C32)[C@@H]61 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L19 compound treatment 0.0142 0.0141 0.4 0.682 0.0197 0.64 0.0116721311475408 0.0133114754098361 0.403289511156035 0.8317 0.9732 3615086 ACon1_001513 CC(C)C1NC(=O)C(C)NC(=O)CCCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)NC(=O)C(NC(=O)C(NC1=O)C(C)c4ccccc4)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L20 compound treatment 0.0242 0.0241 0.68 0.661 -0.00126 -0.04 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 0.1625 0.2125 1050697 ACon1_001514 CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C21 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L21 compound treatment -0.0178 -0.0178 -0.5 0.669 0.00674 0.22 0.0026721311475408 0.00431147540983606 0.130622095362115 -0.0871 -0.1552 3615088 ACon1_001515 C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]8O)[C@@](C)(CO)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O[C@@H]%11O[C@@H](CO)[C@H](O)[C@H]%11O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L22 compound treatment 0.0042 0.00415 0.12 0.679 0.0167 0.54 6.72131147540799E-4 0.00231147540983606 0.070029336296799 0.4212 0.7523 3615092 ACon1_001516 COc1cc2CCN(C)C3c4c(CC3(O)c2cc1O)ccc5OCOc54 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L23 mock treatment 0.0182 0.0182 0.51 0.683 0.0207 0.67 0.0196721311475408 0.0213114754098361 0.645660547417298 1.0553 0.9931 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 L24 mock treatment 0.0242 0.0242 0.68 0.685 0.0227 0.74 0.0166721311475408 0.0183114754098361 0.554771408819324 1.1374 0.9933 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M01 compound treatment -0.0027 -0.00282 -0.08 0.657 -0.00526 -0.17 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 -0.1388 -0.7366 3553702 ACon1_001517 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M02 compound treatment -0.0278 -0.0278 -0.78 0.618 -0.0443 -1.44 -0.0403278688524592 -0.0386885245901639 -1.17212222454217 -1.9568 -0.9727 3559098 ACon1_001518 COc1c(O)cc(cc1O)[C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M03 compound treatment -0.0318 -0.0319 -0.89 0.642 -0.0203 -0.66 -3.27868852459201E-4 0.00131147540983606 0.0397329567641412 -0.8723 -0.7861 3559053 ACon1_001519 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c6ccccc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M04 compound treatment -0.0108 -0.0108 -0.3 0.635 -0.0273 -0.88 -0.0243278688524592 -0.0226885245901639 -0.687380152019646 -1.0832 -0.933 3559037 ACon1_001520 COc1cc(ccc1O)C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M05 compound treatment -0.0278 -0.0279 -0.78 0.644 -0.0183 -0.59 0.0026721311475408 0.00431147540983606 0.130622095362115 -0.7179 -0.7256 3554112 ACon1_001521 CCC(C)/C=C/C1=CC2=C(Cl)C(=O)C3(C)OC(=O)C(C3C2=CO1)C(=O)C(C)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M06 compound treatment 0.0022 0.00218 0.06 0.639 -0.0233 -0.75 0.0146721311475408 0.0163114754098361 0.494178649754008 -0.1153 -0.1275 3559185 ACon1_001522 C[C@]12C[C@H](OC(=O)C2CC[C@]3(C)[C@H]1[C@@H]4OC(=O)[C@@]3(O)C=C4)c5ccoc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M07 compound treatment -0.0027 -0.00282 -0.08 0.651 -0.0113 -0.37 0.0116721311475408 0.0133114754098361 0.403289511156035 -0.0238 -0.0433 3559057 ACon1_001523 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H]2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M08 compound treatment -0.0107 -0.0108 -0.3 0.65 -0.0123 -0.4 -0.0023278688524592 -6.8852459016394E-4 -0.0208598023011744 -0.417 -0.8325 3557382 ACon1_001524 CC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M09 mock treatment -0.0378 -0.0379 -1.06 0.672 0.00974 0.32 -3.278688524592E-4 0.00131147540983606 0.0397329567641412 -0.4073 -0.3676 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M10 mock treatment -0.0338 -0.0339 -0.95 0.628 -0.0343 -1.11 -0.0493278688524592 -0.0476885245901639 -1.44478964033609 -2.0244 -0.9848 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M11 compound treatment -0.0178 -0.0179 -0.5 0.632 -0.0303 -0.98 -0.00932786885245921 -0.00768852459016395 -0.232934459029779 -0.9905 -0.8791 3553353 ACon1_001525 CC(=O)OC/1C\C=C(/C)\CC(OC(=O)/C(=C\CO)/C)C2C(OC(=O)C2=C)\C=C1/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M12 compound treatment -0.0198 -0.0199 -0.56 0.607 -0.0553 -1.79 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -1.7012 -0.8634 3558922 ACon1_001526 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M13 mock treatment -0.0298 -0.0299 -0.84 0.647 -0.0153 -0.5 -0.0103278688524592 -0.00868852459016394 -0.263230838562437 -0.9212 -0.9143 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M14 mock treatment 0.0052 0.00518 0.15 0.64 -0.0223 -0.72 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 -0.5902 -0.6856 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M15 compound treatment -0.0388 -0.0389 -1.09 0.65 -0.0123 -0.4 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -1.2034 -0.9224 3554846 ACon1_001527 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(OC)c2)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M16 compound treatment -0.0138 -0.0139 -0.39 0.6 -0.0623 -2.02 -0.0303278688524592 -0.0286885245901639 -0.869158429215593 -1.893 -0.8474 3558380 ACon1_001528 COc1cc(CCOC2OC(CO)C(OC(=O)/C=C/c3ccc(O)c(OC)c3)C(OC4OC(C)C(O)C(O)C4O)C2O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M17 compound treatment -0.0598 -0.0599 -1.68 0.679 0.0167 0.54 0.0106721311475408 0.0123114754098361 0.372993131623377 -0.4402 -0.2441 3554709 ACon1_001529 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M18 compound treatment 0.0032 0.00318 0.09 0.665 0.00274 0.09 0.0026721311475408 0.00431147540983606 0.130622095362115 0.1782 0.9823 3557627 ACon1_001530 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M19 compound treatment 0.0083 0.00818 0.23 0.633 -0.0293 -0.95 0.00467213114754081 0.00631147540983607 0.191214854427431 -0.3055 -0.3069 3552018 ACon1_001531 C/C=C(/C)\C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)C3[C@@](O)(CC[C@@]31C)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M20 compound treatment -0.0058 -0.00584 -0.16 0.65 -0.0123 -0.4 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -0.5288 -0.9488 3558024 ACon1_001532 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M21 compound treatment -0.0018 -0.00187 -0.05 0.662 -2.62E-4 -0.01 -0.0123278688524592 -0.0106885245901639 -0.323823597627753 -0.2222 -0.677 3553253 ACon1_001533 CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M22 compound treatment -0.0028 -0.00284 -0.08 0.67 0.00774 0.25 -0.0153278688524592 -0.0136885245901639 -0.414712736225726 -0.1404 -0.2858 3559206 ACon1_001534 CC1(C)C(O)CCC2(C)C3CCC4CC3(CC4(O)CO)CCC12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M23 compound treatment -0.0078 -0.00784 -0.22 0.648 -0.0143 -0.46 -0.0183278688524592 -0.0166885245901639 -0.5056018748237 -0.6861 -0.953 3559039 ACon1_001535 COc1cc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 M24 compound treatment -0.0148 -0.0148 -0.42 0.648 -0.0143 -0.46 -0.0153278688524592 -0.0136885245901639 -0.414712736225726 -0.7469 -0.9987 3553939 ACon1_001536 CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N01 compound treatment -0.0468 -0.0469 -1.31 0.628 -0.0343 -1.11 -0.0193278688524592 -0.0176885245901639 -0.535898254356357 -1.7101 -0.9485 1037131 ACon1_001537 Cc1cc(C)c(O)c(c1)C(=O)CC2CC(=O)NC(=O)C2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N02 compound treatment -0.0318 -0.0318 -0.89 0.646 -0.0163 -0.53 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -1.1645 -0.9734 3615103 ACon1_001538 CC1CC(O)CC(C)(C)C1(O)/C=C/C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N03 compound treatment -0.0148 -0.0148 -0.42 0.637 -0.0253 -0.82 -0.0413278688524592 -0.0396885245901639 -1.20241860407483 -1.4078 -0.9301 3559788 ACon1_001539 CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](O)[C@@H]([C@H]21)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N04 compound treatment -0.0268 -0.0268 -0.75 0.607 -0.0553 -1.79 -0.0333278688524592 -0.0316885245901639 -0.960047567813567 -2.0242 -0.9332 3615108 ACon1_001540 CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N05 compound treatment -0.0278 -0.0278 -0.78 0.648 -0.0143 -0.46 -0.0293278688524592 -0.0276885245901639 -0.838862049682936 -1.2022 -0.9728 3069522 ACon1_001541 COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N06 compound treatment -0.0378 -0.0378 -1.06 0.657 -0.00526 -0.17 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -0.9156 -0.8092 3615112 ACon1_001542 CCCC(O)c1ccc(C)cc1CCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N07 compound treatment -0.0348 -0.0349 -0.98 0.644 -0.0183 -0.59 -0.0333278688524592 -0.0316885245901639 -0.960047567813567 -1.4609 -0.9786 3615113 ACon1_001543 Cc1cc(C(=O)Oc2c(C)cc(C(=O)O)c(O)c2C)c(O)c(C)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N08 compound treatment -0.0308 -0.0308 -0.86 0.635 -0.0273 -0.88 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -1.3544 -0.9862 3559245 ACon1_001544 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c3c(O)cc4oc(cc(=O)c4c3O)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N09 mock treatment -0.0538 -0.0538 -1.51 0.632 -0.0303 -0.98 -0.0233278688524592 -0.0216885245901639 -0.657083772486989 -1.8179 -0.9483 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N10 mock treatment -0.0178 -0.0179 -0.5 0.666 0.00374 0.12 -0.0253278688524592 -0.0236885245901639 -0.717676531552304 -0.6333 -0.7169 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N11 compound treatment -0.0098 -0.00987 -0.28 0.647 -0.0153 -0.5 -0.0283278688524592 -0.0266885245901639 -0.808565670150278 -0.9126 -0.9239 3615116 ACon1_001545 COC(/C=C/CC\C=C\C(=O)O)C(O)C(C)C(O)/C(=C/C(C)C(=O)CCCC1CC(=O)NC(=O)C1)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N12 compound treatment 0.0013 0.00118 0.03 0.659 -0.00326 -0.11 -0.00932786885245921 -0.00768852459016395 -0.232934459029779 -0.1765 -0.6842 3615120 ACon1_001546 CCCC[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N13 mock treatment -0.0268 -0.0268 -0.75 0.642 -0.0203 -0.66 -0.00332786885245919 -0.00168852459016393 -0.0511561818338319 -0.8437 -0.8431 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N14 mock treatment 0.0082 0.00818 0.23 0.647 -0.0153 -0.5 -0.0113278688524592 -0.00968852459016394 -0.293527218095095 -0.3231 -0.5213 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N15 compound treatment -0.0408 -0.0408 -1.15 0.685 0.0227 0.74 0.0136721311475408 0.0153114754098361 0.463882270221351 0.0328 0.0228 3615123 ACon1_001547 COC(=O)c1cccc(O)c1C(=O)c2c(O)cc(C)cc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N16 compound treatment -0.0158 -0.0158 -0.44 0.627 -0.0353 -1.14 -0.0273278688524592 -0.0256885245901639 -0.77826929061762 -1.3662 -0.94 3615126 ACon1_001548 COc1ccc(cc1Cl)C(=O)NCCc2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N17 compound treatment -0.0048 -0.00487 -0.14 0.636 -0.0263 -0.85 -0.0593278688524592 -0.0576885245901639 -1.74775343566267 -1.58 -0.8105 3615128 ACon1_001549 COc1cc(OC)c(cc1OC)c2coc3c4C=CC(C)(C)Oc4c(OC)cc3c2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N18 compound treatment -0.0178 -0.0179 -0.5 0.618 -0.0443 -1.44 -0.0303278688524592 -0.0286885245901639 -0.869158429215593 -1.6201 -0.9247 2259 ACon1_001550 CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N19 compound treatment -0.0258 -0.0258 -0.72 0.657 -0.00526 -0.17 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -0.8788 -0.9031 3615132 ACon1_001551 COc1ccc2C[C@@H]3[C@H](COC3=O)[C@H](OC(=O)/C(=C\C)/C)c4cc(OC)c(OC)cc4-c2c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N20 compound treatment -0.0398 -0.0399 -1.12 0.634 -0.0283 -0.92 -0.0063278688524592 -0.00468852459016394 -0.142045320431806 -1.2566 -0.8651 3615136 ACon1_001552 CC(O)c1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N21 compound treatment -0.0288 -0.0289 -0.81 0.654 -0.00826 -0.27 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 -0.6164 -0.7233 3615138 ACon1_001553 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)CC3)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N22 compound treatment -0.3658 -0.366 -10.26 0.646 -0.0163 -0.53 -0.0183278688524592 -0.0166885245901639 -0.5056018748237 -6.519 -0.6339 3615141 ACon1_001554 C/C=C(/C)\C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N23 compound treatment -0.0078 -0.00785 -0.22 0.662 -2.62E-4 -0.01 -0.0263278688524592 -0.0246885245901639 -0.747972911084962 -0.5638 -0.7231 3614951 ACon1_001555 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 N24 compound treatment -0.5258 -0.526 -14.74 0.657 -0.00526 -0.17 -0.0053278688524592 -0.00368852459016394 -0.111748940899148 -8.6752 -0.5884 3615144 ACon1_001556 CO/C=C(/C1CC2N(CCC23C(=O)Nc4ccccc43)CC1C=C)\C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O01 compound treatment -0.0078 -0.00784 -0.22 0.661 -0.00126 -0.04 0.0016721311475408 0.00331147540983606 0.100325715829457 -0.0926 -0.378 3559328 ACon1_001557 CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(=C(C)C)C[C@H]3[C@]2(C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O02 compound treatment 0.0062 0.00615 0.17 0.663 7.38E-4 0.02 0.0026721311475408 0.00431147540983606 0.130622095362115 0.1888 0.8675 3559070 ACon1_001558 C[C@@H]1C[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@]5(C)[C@H](CCC=C5C)[C@@]1(C)CC[C@](C)(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O03 compound treatment 0.0022 0.00218 0.06 0.645 -0.0173 -0.56 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -0.6326 -0.7708 1093459 ACon1_001559 COc1cc(CC2COC(=O)C2(O)Cc3ccc(O)c(OC)c3)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O04 compound treatment 0.0082 0.00815 0.23 0.669 0.00674 0.22 -0.0103278688524592 -0.00868852459016394 -0.263230838562437 0.1062 0.2581 3559095 ACon1_001560 C/C=C(/C)\C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@@H]41 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O05 compound treatment 0.0033 0.00318 0.09 0.669 0.00674 0.22 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 0.1482 0.6133 3558913 ACon1_001561 OC(=O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O06 compound treatment 0.0112 0.0111 0.31 0.655 -0.00726 -0.24 0.0016721311475408 0.00331147540983606 0.100325715829457 0.1023 0.2532 3559222 ACon1_001562 COc1c(O)cc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O07 compound treatment -0.0188 -0.0188 -0.53 0.668 0.00574 0.19 6.721311475408E-4 0.00231147540983606 0.0700293362967991 -0.157 -0.2782 3557351 ACon1_001563 C[C@@H](OC(=O)C)[C@@H]1[C@]23O[C@@]3([C@H](O)c4c(O)c(ccc4C2=O)c5ccc6C(=O)[C@@]78O[C@@]8([C@H](O)c6c5O)C(=O)C[C@](C)(O)[C@@H]7[C@@H](C)OC(=O)C)C(=O)C[C@]1(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O08 compound treatment 0.0102 0.0101 0.28 0.65 -0.0123 -0.4 -0.0173278688524592 -0.0156885245901639 -0.475305495291042 -0.3399 -0.4983 3559212 ACon1_001564 CC(C)C(C)(O)C(=O)OCC1=CCN2CCC(O)C21 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O09 compound treatment 0.0042 0.00418 0.12 0.673 0.0107 0.35 0.00667213114754081 0.00831147540983607 0.251807613492746 0.4142 0.9295 3615151 ACon1_001565 C[C@@H]1C2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)O[C@@]91CC[C@@](C)(CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)O9 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O10 compound treatment -0.0088 -0.00887 -0.25 0.64 -0.0223 -0.72 -0.0213278688524592 -0.0196885245901639 -0.596491013421673 -0.9051 -0.9337 3557334 ACon1_001566 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)/C(=C/c5cnc[nH]5)/NC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O11 mock treatment -0.0088 -0.00884 -0.25 0.664 0.00174 0.06 -0.0023278688524592 -6.8852459016394E-4 -0.0208598023011744 -0.1226 -0.4806 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O12 mock treatment 0.0032 0.00318 0.09 0.651 -0.0113 -0.37 -0.0123278688524592 -0.0106885245901639 -0.323823597627753 -0.3465 -0.6981 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O13 compound treatment -0.5548 -0.555 -15.56 0.682 0.0197 0.64 0.0166721311475408 0.0183114754098361 0.554771408819324 -8.2913 -0.5322 3554512 ACon1_001567 CO[C@H]1/C=C/C=C(\C)/C[C@H](C)[C@H](O)[C@H](C)/C=C(\C)/C=C(\OC)/C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)\C=C\[C@H](C)[C@H](O)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O14 compound treatment -0.0018 -0.00182 -0.05 0.673 0.0107 0.35 0.00767213114754081 0.00931147540983607 0.282103993025404 0.3346 0.7415 3180421 ACon1_001568 COc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O15 compound treatment 0.0123 0.0122 0.34 0.67 0.00774 0.25 0.00567213114754081 0.00731147540983607 0.221511233960088 0.47 0.9828 3557322 ACon1_001569 CC/C=C/C=C/1\CO[C@@]2(CC[C@@H](CO)O2)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O16 compound treatment 0.0082 0.00815 0.23 0.674 0.0117 0.38 0.0076721311475408 0.00931147540983606 0.282103993025404 0.5147 0.9782 3557362 ACon1_001570 CC(=O)c1nc2ccccc2c(=O)[nH]1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O17 compound treatment 3.0E-4 1.79E-4 0.01 0.676 0.0137 0.45 0.0126721311475408 0.0143114754098361 0.433585890688693 0.5106 0.8211 3553815 ACon1_001571 CC[C@H]/1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)/C=C/[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@H](C)C\C=C\C=C1)[C@H]2C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O18 compound treatment 0.0013 0.00118 0.03 0.654 -0.00826 -0.27 -0.0113278688524592 -0.00968852459016394 -0.293527218095095 -0.3052 -0.765 3558879 ACon1_001572 CC(CO)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(=C)[C@@H]21)/CO)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O19 compound treatment -0.0178 -0.0178 -0.5 0.648 -0.0143 -0.46 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 -0.813 -0.9988 3554106 ACon1_001573 CCC(C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]42[C@H]3[C@@]5(C)[C@H](O)C(=O)C=C(C)[C@@H]5C[C@H]4OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O20 compound treatment -0.0138 -0.0138 -0.39 0.643 -0.0193 -0.63 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -0.9468 -0.9796 3559210 ACon1_001574 C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O21 compound treatment 3.0E-4 1.79E-4 0.01 0.652 -0.0103 -0.33 -0.0143278688524592 -0.0126885245901639 -0.384416356693068 -0.4113 -0.8087 3558433 ACon1_001575 CC1OC(OC2C(OC3OCC(O)C(O)C3O)C(OCCc4ccc(O)c(O)c4)OC(CO)C2OC(=O)/C=C/c5ccc(O)c(O)c5)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O22 compound treatment 0.0022 0.00215 0.06 0.654 -0.00826 -0.27 -0.0133278688524592 -0.0116885245901639 -0.35411997716041 -0.3245 -0.7239 3557365 ACon1_001576 CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(O)[C@H](O)[C@@]42C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O23 compound treatment -0.0088 -0.00885 -0.25 0.649 -0.0133 -0.43 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 -0.6487 -0.9726 3558906 ACon1_001577 CCC(C)C(=O)OC/C=C(\C)/CC[C@H]1C(=C)C(O)CC2[C@@](C)(COC(=O)C)CC(O)C[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 O24 compound treatment -0.0037 -0.00382 -0.11 0.65 -0.0123 -0.4 -0.0183278688524592 -0.0166885245901639 -0.5056018748237 -0.5835 -0.8946 3557395 ACon1_001578 CC1(CO)CC(O)CC2(C)C1CCC3=C2COC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P01 compound treatment -0.0158 -0.0158 -0.44 0.661 -0.00126 -0.04 -0.0083278688524592 -0.00668852459016394 -0.202638079497121 -0.3971 -0.8105 1000475 ACon1_001579 O=c1ccc2cc3ccoc3cc2o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P02 compound treatment -0.0047 -0.00482 -0.14 0.666 0.00374 0.12 -0.0073278688524592 -0.00568852459016394 -0.172341699964464 -0.1075 -0.4294 3615161 ACon1_001580 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@](C)(C5CC[C@]43C)C(=O)O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P03 compound treatment -0.0298 -0.0298 -0.84 0.672 0.00974 0.32 0.0106721311475408 0.0123114754098361 0.372993131623377 -0.0852 -0.088 3553075 ACon1_001581 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P04 compound treatment -0.0368 -0.0368 -1.03 0.643 -0.0193 -0.63 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -1.3192 -0.9697 3615165 ACon1_001582 Cc1cc(O)c(C)c2Oc3c(C)c(O)c(O)c(C)c3OC(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P05 compound treatment -0.0107 -0.0108 -0.3 0.651 -0.0113 -0.37 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 -0.6431 -0.988 3615168 ACon1_001583 Oc1cccc2C(=O)Nc3ccccc3-c4nc5ccccc5c(=O)n4-c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P06 compound treatment 0.0053 0.00518 0.15 0.649 -0.0133 -0.43 -0.0163278688524592 -0.0146885245901639 -0.445009115758384 -0.4216 -0.663 3615170 ACon1_001584 CC1CC(OC=O)C2C(C)C(CCC2(C)C31CCC4(COC(=O)C4)O3)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P07 compound treatment -0.0218 -0.0218 -0.61 0.656 -0.00626 -0.2 -0.0093278688524592 -0.00768852459016394 -0.232934459029779 -0.6054 -0.8825 3615172 ACon1_001585 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OC(CC4OC)O[C@H]5CC[C@]6(C)C7CC(OC(=O)c8ccccc8)[C@]9(C)[C@@](O)(CC[C@]9(O)[C@]7(O)CC=C6C5)C(=O)C)OC(C)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P08 compound treatment -0.0128 -0.0128 -0.36 0.667 0.00474 0.15 0.0036721311475408 0.00531147540983606 0.160918474894772 -0.0262 -0.0618 3615176 ACon1_001586 O[C@@H]1[C@@H](O)[C@H](Oc2c(O)c(c(O)cc2c3ccccc3)c4ccccc4)O[C@@H]([C@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P09 compound treatment -0.0178 -0.0179 -0.5 0.658 -0.00426 -0.14 -0.0123278688524592 -0.0106885245901639 -0.323823597627753 -0.5558 -0.9082 3615180 ACon1_001587 Cc1cc2C(=O)c3ccccc3C(=O)c2cc1O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P10 compound treatment -0.0058 -0.00584 -0.16 0.645 -0.0173 -0.56 -0.0203278688524592 -0.0186885245901639 -0.566194633889015 -0.7449 -0.916 3615183 ACon1_001588 CC(=O)[C@@]12C[C@@H](CC[C@@]2(C)CC[C@@H]1O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P11 mock treatment -0.0238 -0.0238 -0.67 0.648 -0.0143 -0.46 -0.0223278688524592 -0.0206885245901639 -0.626787392954331 -1.015 -0.9887 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P12 mock treatment -0.0148 -0.0148 -0.42 0.663 7.38E-4 0.02 -0.0043278688524592 -0.00268852459016394 -0.08145256136649 -0.2734 -0.6439 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P13 compound treatment -0.0027 -0.00282 -0.08 0.633 -0.0293 -0.95 -0.0313278688524592 -0.0296885245901639 -0.899454808748251 -1.1133 -0.8496 3615185 ACon1_001589 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@@]56CCC(C)(C)C[C@H]6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P14 compound treatment 0.0332 0.0331 0.93 0.682 0.0197 0.64 0.0186721311475408 0.0203114754098361 0.61536416788464 1.2617 0.9814 3615189 ACon1_001590 COc1cc(nc(/C=N/O)c1S(=O)C)c2ccccn2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P15 compound treatment 2.0E-4 1.29E-4 0.0 0.675 0.0127 0.41 -0.0033278688524592 -0.00168852459016394 -0.0511561818338322 0.2112 0.5071 3557312 ACon1_001591 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P16 compound treatment -0.0098 -0.00984 -0.28 0.657 -0.00526 -0.17 -0.0103278688524592 -0.00868852459016394 -0.263230838562437 -0.4099 -0.981 3615194 ACon1_001592 CC(C)(C=C)C12CC3N(C2Nc4ccccc41)C(=O)C(Cc5c[nH]cn5)NC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P17 compound treatment -0.0208 -0.0209 -0.59 0.623 -0.0393 -1.27 -0.0433278688524592 -0.0416885245901639 -1.26301136314014 -1.8027 -0.9553 3558732 ACon1_001593 O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P18 compound treatment -0.0168 -0.0168 -0.47 0.668 0.00574 0.19 0.0036721311475408 0.00531147540983606 0.160918474894772 -0.0722 -0.1356 3615196 ACon1_001594 COC(=O)C1(CO)C/2CCN(C\C2=C/C)Cc3c1[nH]c4ccccc34 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P19 compound treatment -0.0028 -0.00287 -0.08 0.673 0.0107 0.35 0.0056721311475408 0.00731147540983606 0.221511233960088 0.2826 0.6718 3615200 ACon1_001595 C/C(=C\CCC(C)(O)C=C)/C(=O)OC1C2OC2(C)C3C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)OC=CC13O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P20 compound treatment 3.0E-4 1.79E-4 0.01 0.667 0.00474 0.15 -3.278688524592E-4 0.00131147540983606 0.0397329567641412 0.1146 0.7214 2096349 ACon1_001596 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3=O)c2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P21 compound treatment 0.0012 0.00113 0.03 0.676 0.0137 0.45 0.0116721311475408 0.0133114754098361 0.403289511156035 0.5085 0.8447 1054272 ACon1_001597 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)cc3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P22 compound treatment -0.0047 -0.00482 -0.14 0.668 0.00574 0.19 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 0.0349 0.1517 1874510 ACon1_001598 CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC61CCC(C)CN6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P23 compound treatment -0.0178 -0.0178 -0.5 0.668 0.00574 0.19 -0.0013278688524592 3.1147540983606E-4 0.00943657723148341 -0.1758 -0.3294 3615206 ACon1_001599 CC1OC(O[C@H]2[C@@H](O)C[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)OC7OC(C)C(OC8OCC(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)C7O)[C@]2(C)CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2294 P24 compound treatment 0.0362 0.0362 1.01 0.674 0.0117 0.38 -3.27868852459201E-4 0.00131147540983606 0.0397329567641412 0.8282 0.7642 1707947 ACon1_001600 CN1CCc2cc3OCOc3cc2C1C4OC(=O)c5c6OCOc6ccc45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A01 compound treatment 0.0204 0.0213 0.6 0.701 0.0435 1.41 0.0352977470558112 0.0360645161290323 1.09262426830682 1.7918 0.9514 3615211 ACon1_001601 COc1cc2CCN(C)C3Cc4ccc(O)c(O)c4-c(c1OC)c32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A02 compound treatment 0.0054 0.00637 0.18 0.649 -0.00848 -0.28 0.0252977470558112 0.0260645161290323 0.789660472980244 0.4 0.4678 3615213 ACon1_001602 CC1OC(Oc2cc(O)c(C3OC(C)C(O)C(O)C3O)c4oc(cc(=O)c24)c5ccc(O)cc5)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A03 compound treatment 0.0414 0.0424 1.19 0.667 0.00952 0.31 -0.0207022529441888 -0.0199354838709677 -0.603972985522016 0.5156 0.3768 3484788 ACon1_001603 CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A04 compound treatment -6.0E-4 3.57E-4 0.01 0.672 0.0145 0.47 0.00229774705581115 0.00306451612903225 0.0928437437291123 0.3314 0.69 3615215 ACon1_001604 COc1cc(cc(OC)c1O)C(=O)OC[C@@]2(O)CO[C@H](OC3C(O)C(O)C(Oc4cc(OC)c(OC)c(OC)c4)OC3CO)[C@@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A05 compound treatment 0.0284 0.0294 0.82 0.681 0.0235 0.76 0.0242977470558112 0.0250645161290323 0.759364093447586 1.3546 0.9993 3557487 ACon1_001605 CC1(O)CC2(CC1CCC23)CC(=O)C4C(CO)(CCCC34C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A06 compound treatment -0.0666 -0.0657 -1.84 0.668 0.0105 0.34 0.00429774705581115 0.00506451612903225 0.153436502794428 -0.7771 -0.4137 3615219 ACon1_001606 CCCCCC(=O)CC(O)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A07 compound treatment 0.0064 0.00737 0.21 0.657 -4.84E-4 -0.02 0.00229774705581115 0.00306451612903225 0.0928437437291123 0.1638 0.7215 3553900 ACon1_001607 CC1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](O)[C@@H]3[C@@H]2OC(=O)C3=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A08 compound treatment -0.0416 -0.0406 -1.14 0.676 0.0185 0.6 0.0102977470558112 0.0110645161290323 0.335214779990376 -0.1173 -0.0881 3615221 ACon1_001608 CC1(CCCC2(C)C1C(O)CC3(CC4(O)CC=C32)C(=O)C4=C)C(=O)OC5OC(CO)C(O)C(O)C5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A09 compound treatment 0.0194 0.0203 0.57 0.666 0.00852 0.28 0.0302977470558112 0.0310645161290323 0.941142370643533 1.0323 0.9097 3615223 ACon1_001609 C[C@@]1(O)C[C@@H](O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A10 compound treatment -0.0186 -0.0176 -0.49 0.691 0.0335 1.09 -0.00170225294418884 -9.35483870967743E-4 -0.0283417744015186 0.326 0.2727 3615227 ACon1_001610 C[C@@]12CCC[C@@]3(C)C2[C@@H](C[C@@]4(CO4)[C@]3(O)CCc5ccoc5)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A11 compound treatment 0.0164 0.0174 0.49 0.682 0.0245 0.8 0.0182977470558112 0.0190645161290323 0.577585816251639 1.0741 0.9789 1088391 ACon1_001611 CC1=CC(=O)c2c(O)cccc2C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A12 compound treatment -0.0076 -0.00663 -0.19 0.682 0.0245 0.8 0.0132977470558112 0.0140645161290323 0.42610391858835 0.598 0.6489 3615231 ACon1_001612 COC(/C=C/C(OC(=O)C)C(C)OC(=O)C)C(O)C1CC=CC(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A13 mock treatment 0.0184 0.0194 0.54 0.668 0.0105 0.34 -0.153702252944189 -0.152935483870968 -4.63339146336551 -2.1644 -0.4627 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A14 mock treatment -0.0036 -0.00264 -0.07 0.668 0.0105 0.34 0.00229774705581116 0.00306451612903226 0.0928437437291126 0.2079 0.5754 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A15 compound treatment -0.0166 -0.0156 -0.44 0.644 -0.0135 -0.44 -0.00570225294418891 -0.00493548387096781 -0.149527292532152 -0.5919 -0.9292 3615235 ACon1_001613 OC1Cc2c(O)c3C(C(O)C(Oc3cc2OC1c4ccc(O)c(O)c4)c5ccc(O)c(O)c5)c6ccc(O)cc6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A16 compound treatment -6.0E-4 3.65E-4 0.01 0.676 0.0185 0.6 0.00429774705581116 0.00506451612903226 0.153436502794428 0.4414 0.7117 3615238 ACon1_001614 CC(C)/C=C/C=C(\C)/CC/C=C(\C)/CCOc1c(O)cc2C(=O)NCc2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A17 compound treatment -0.0176 -0.0167 -0.47 0.661 0.00352 0.11 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 -0.255 -0.5217 3615241 ACon1_001615 C[C@@H]1O[C@@H](OC(=O)c2c(C)coc2C)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A18 compound treatment 0.0184 0.0194 0.54 0.663 0.00552 0.18 2.97747055811163E-4 0.00106451612903226 0.0322509846637971 0.4353 0.7605 3615246 ACon1_001616 C[C@@H]1O[C@@H](OC2C(O)C(O)C(OC3C(O)COC(O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)CC[C@@]8(CC[C@]76C)C(=O)OC9OC(CO)C(O)C(O)C9O)C4(C)C)C3O)OC2C(=O)O)[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A19 compound treatment -0.0056 -0.00465 -0.13 0.672 0.0145 0.47 0.00429774705581116 0.00506451612903226 0.153436502794428 0.2853 0.5568 3615250 ACon1_001617 OC1CCC(=O)c2c(O)cccc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A20 compound treatment -0.0046 -0.00365 -0.1 0.651 -0.00648 -0.21 -0.0097022529441888 -0.0089354838709677 -0.27071281066278 -0.3369 -0.9415 3559151 ACon1_001618 CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)COC8OC(CO)C(O)C(O)C8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A21 compound treatment 0.0094 0.0103 0.29 0.652 -0.00548 -0.18 0.00129774705581116 0.00206451612903226 0.0625473641964548 0.1008 0.2914 3615252 ACon1_001619 OC(=O)CCCCCCC/C=C\CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A22 compound treatment -0.1185 -0.118 -3.3 0.664 0.00652 0.21 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 -1.8321 -0.5545 1018507 ACon1_001620 Oc1ccc(C=O)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A23 compound treatment 0.0064 0.00736 0.21 0.672 0.0145 0.47 0.00329774705581115 0.00406451612903225 0.12314012326177 0.4622 0.874 3615257 ACon1_001621 CC(=O)OC(CCCCc1ccc(O)c(O)c1)CCc2ccc(O)c(O)c2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 A24 compound treatment -0.1185 -0.118 -3.3 0.653 -0.00448 -0.15 -0.0157022529441889 -0.0149354838709678 -0.45249108785873 -2.2481 -0.6751 3559182 ACon1_001622 COc1cc(cc(OC)c1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B01 compound treatment -0.0566 -0.0557 -1.56 0.674 0.0165 0.54 0.00129774705581116 0.00206451612903226 0.0625473641964548 -0.5553 -0.3363 3615259 ACon1_001623 COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@H](C)O[C@H]2OCC4OC(Oc5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)cc7)C(O)C(O)C4O)cc(OC)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B02 compound treatment -0.0166 -0.0157 -0.44 0.463 -0.194 -6.31 0.00129774705581115 0.00206451612903225 0.0625473641964545 -3.8614 -0.6103 3615262 ACon1_001624 OCCCCCCCC=C(C(=O)O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B03 compound treatment -0.7165 -0.716 -20.06 0.644 -0.0135 -0.44 0.00329774705581116 0.00406451612903226 0.12314012326177 -11.764 -0.5863 3615264 ACon1_001625 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B04 compound treatment 0.0144 0.0154 0.43 0.627 -0.0305 -0.99 -0.00770225294418891 -0.00693548387096781 -0.210120051597468 -0.4439 -0.4038 3615266 ACon1_001626 CN1C(=O)c2ccccc2-n3c(nc4ccccc4c3=O)[C@]51O[C@H]5c6ccccc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B05 compound treatment 0.0054 0.00637 0.18 0.675 0.0175 0.57 -0.00770225294418884 -0.00693548387096774 -0.210120051597466 0.31 0.4906 3615270 ACon1_001627 COc1c(Cc2ccccc2O)c(O)c(Cc3ccccc3O)c(O)c1C(=O)CCc4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B06 compound treatment 0.0104 0.0113 0.32 0.654 -0.00348 -0.11 -0.00570225294418881 -0.00493548387096771 -0.149527292532149 0.0321 0.0868 3615272 ACon1_001628 CCC(C)CC(C)/C=C\C1OC2=C(C(O)C1O)C(=O)OC2(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B07 compound treatment 0.0104 0.0114 0.32 0.64 -0.0175 -0.57 -0.0107022529441889 -0.0099354838709678 -0.301009190195441 -0.3177 -0.4431 3615275 ACon1_001629 CC(=CCCC(C)(O)C(O)Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B08 compound treatment 0.0194 0.0204 0.57 0.653 -0.00448 -0.15 0.00829774705581116 0.00906451612903226 0.27462202092506 0.4044 0.6218 3054974 ACon1_001630 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B09 compound treatment -0.0256 -0.0247 -0.69 0.672 0.0145 0.47 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 -0.1784 -0.2121 3615278 ACon1_001631 CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(/C=C/C(C)(C)O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B10 compound treatment -0.3785 -0.378 -10.59 0.674 0.0165 0.54 -0.0267022529441888 -0.0259354838709677 -0.785751262717963 -6.2557 -0.5886 3559815 ACon1_001632 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B11 compound treatment 0.0384 0.0394 1.1 0.667 0.00952 0.31 -0.0137022529441889 -0.0129354838709678 -0.391898328793414 0.5893 0.4865 3559060 ACon1_001633 COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@]3(O)c2cc1OC)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B12 compound treatment -0.0086 -0.00764 -0.21 0.664 0.00652 0.21 -0.0017022529441888 -9.35483870967703E-4 -0.0283417744015174 -0.0179 -0.0593 3076873 ACon1_001634 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B13 mock treatment 0.0084 0.00936 0.26 0.637 -0.0205 -0.66 -0.00470225294418884 -0.00393548387096774 -0.119230912999492 -0.3012 -0.4157 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B14 mock treatment 0.0274 0.0284 0.8 0.658 5.16E-4 0.02 -0.00370225294418881 -0.00293548387096771 -0.0889345334668334 0.4175 0.5216 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B15 compound treatment 0.0084 0.00936 0.26 0.655 -0.00248 -0.08 -0.00470225294418891 -0.00393548387096781 -0.119230912999494 0.0361 0.1206 3615283 ACon1_001635 COc1cc(oc(=O)c1C)C(C)C=C(C)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B16 compound treatment -0.237 -0.236 -6.62 0.435 -0.222 -7.22 -0.223702252944189 -0.222935483870968 -6.75413803065156 -11.889 -0.9993 3615285 ACon1_001636 OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B17 compound treatment -0.1345 -0.134 -3.74 0.656 -0.00148 -0.05 2.9774705581115E-4 0.00106451612903225 0.0322509846637967 -2.1707 -0.5797 3615286 ACon1_001637 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(CO)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B18 compound treatment 0.0214 0.0223 0.63 0.651 -0.00648 -0.21 2.9774705581114E-4 0.00106451612903224 0.0322509846637964 0.2589 0.3912 3615290 ACon1_001638 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(oc3c2)c7ccc(O)c(O)c7)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B19 compound treatment -0.1445 -0.144 -4.02 0.644 -0.0135 -0.44 -0.00270225294418884 -0.00193548387096774 -0.0586381539341765 -2.6102 -0.6447 3615295 ACon1_001639 COc1cc2c(cc1O)C(=O)CC3C(C)(C)C(=O)CCC32C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B20 compound treatment 0.0214 0.0223 0.63 0.665 0.00752 0.24 0.0172977470558112 0.0180645161290323 0.547289436718981 0.8185 0.9442 3615297 ACon1_001640 CC1(CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC3C(=CCC4[C@@](C)(CCC[C@]34C)C(=O)O)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B21 compound treatment 0.0084 0.00936 0.26 0.669 0.0115 0.37 -0.00570225294418883 -0.00493548387096773 -0.14952729253215 0.2809 0.5846 3615299 ACon1_001641 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)cc(O)c2C)C1=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B22 compound treatment 0.0054 0.00635 0.18 0.648 -0.00948 -0.31 -0.00670225294418881 -0.00593548387096771 -0.179823672064807 -0.1788 -0.4487 3615301 ACon1_001642 COc1cc(/C=C/COC2OC(CO)C(O)C(O)C2O)cc3C(CO)C(Oc31)c4ccc(OC)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B23 compound treatment -0.0016 -6.43E-4 -0.02 0.651 -0.00648 -0.21 -0.0127022529441889 -0.0119354838709678 -0.361601949260756 -0.3407 -0.8135 3615306 ACon1_001643 COc1cc2oc(cc(=O)c2c(OC)c1OC)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 B24 compound treatment 0.0194 0.0204 0.57 0.668 0.0105 0.34 -0.00770225294418885 -0.00693548387096775 -0.210120051597466 0.4053 0.5811 3558267 ACon1_001644 C[C@@]12CC[C@@H](O)C(=C)C2C[C@@H](CC1)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C01 compound treatment 0.0184 0.0193 0.54 0.676 0.0185 0.6 0.00829774705581115 0.00906451612903225 0.274622020925059 0.8187 0.9577 3615308 ACon1_001645 COC(=O)[C@@H]1C[C@@]2(C=CC[N+]3([O-])CC[C@]45[C@H]23)C(C)[C@]51Nc6ccccc64 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C02 compound treatment -0.1305 -0.13 -3.63 0.67 0.0125 0.41 0.0102977470558112 0.0110645161290323 0.335214779990376 -1.669 -0.4547 3615312 ACon1_001646 OCC1OC(OCC2OC(OC(CCc3ccccc3)CC(=O)CCc4ccccc4)C(O)C(O)C2O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C03 compound treatment 0.0154 0.0163 0.46 0.678 0.0205 0.67 0.0132977470558112 0.0140645161290323 0.42610391858835 0.895 0.9795 3554647 ACon1_001647 COC(=O)C(=C)[C@]1(O[C@@]/23CC[C@@](C)(O)CC1=O)[C@H](C[C@@]3(C)OC(=O)\C2=C\C)OC(=O)C(=C)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C04 compound treatment 0.0144 0.0154 0.43 0.402 -0.255 -8.29 0.0032977470558112 0.0040645161290323 0.123140123261772 -4.4675 -0.538 3615314 ACon1_001648 COc1cc(cc(OC)c1O)C(=O)OC[C@@]2(O)CO[C@H](OC3C(O)C(O)C(OC(C)/C=C/C4(O)C(C)CC(O)CC4(C)C)OC3CO)[C@@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C05 compound treatment 0.0404 0.0414 1.16 0.655 -0.00248 -0.08 0.00729774705581116 0.00806451612903226 0.244325641392402 0.7641 0.6432 3553387 ACon1_001649 CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C06 compound treatment -0.0976 -0.0966 -2.71 0.656 -0.00148 -0.05 0.00529774705581117 0.00606451612903227 0.183732882327086 -1.4862 -0.5471 3615318 ACon1_001650 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@H]1C)C(=O)OC6OC(COC7OC(CO)C(O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(O)C7O)C(O)C(O)C6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C07 compound treatment 0.0134 0.0144 0.4 0.668 0.0105 0.34 0.0132977470558112 0.0140645161290323 0.42610391858835 0.6755 0.9958 3558295 ACon1_001651 CC(C)c1cc2CCC3C(C)(C)C[C@H](O)C[C@]3(C)c2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C08 compound treatment -0.6555 -0.655 -18.35 0.669 0.0115 0.37 0.0202977470558112 0.0210645161290323 0.638178575316955 -10.0108 -0.5451 3615325 ACon1_001652 CC1OC(OC2C(O)C(O)C(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC2C(=O)O)C(OC9OCC(O)C(O)C9O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C09 compound treatment 0.0254 0.0263 0.74 0.601 -0.0565 -1.83 0.0152977470558112 0.0160645161290323 0.486696677653665 -0.3509 -0.1724 3558212 ACon1_001653 C[C@@]1(O)CCC2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1C[C@H](O)C3=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C10 compound treatment 0.0194 0.0204 0.57 0.673 0.0155 0.5 0.0172977470558112 0.0180645161290323 0.547289436718981 0.9361 0.9987 3615328 ACon1_001654 CC1OC(OCC2OC(OCC3(C)C(O)CCC4(C)C3CCC5(C)C4CCC6C7=CC(C)(C)CCC7(CCC65C)C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C11 mock treatment -0.1155 -0.115 -3.21 0.656 -0.00148 -0.05 0.0102977470558112 0.0110645161290323 0.335214779990376 -1.6886 -0.5228 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C12 mock treatment -0.2575 -0.257 -7.19 0.669 0.0115 0.37 0.00329774705581116 0.00406451612903226 0.12314012326177 -3.866 -0.5367 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C13 compound treatment 0.0214 0.0223 0.63 0.654 -0.00348 -0.11 0.0122977470558112 0.0130645161290323 0.395807539055692 0.525 0.7003 3553489 ACon1_001655 CC(C)[C@@H](NC(=O)C)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C14 compound treatment 0.0194 0.0204 0.57 0.685 0.0275 0.89 0.0132977470558112 0.0140645161290323 0.42610391858835 1.0913 0.9552 3615331 ACon1_001656 CCCCCCCCC/C=C/CCCCC(=O)C1C(=O)CCC(O)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C15 mock treatment 0.0164 0.0173 0.49 0.672 0.0145 0.47 0.00329774705581116 0.00406451612903226 0.12314012326177 0.6239 0.9065 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C16 mock treatment 0.0254 0.0264 0.74 0.67 0.0125 0.41 0.00829774705581115 0.00906451612903225 0.274622020925059 0.8199 0.9242 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C17 compound treatment -0.0376 -0.0366 -1.03 0.627 -0.0305 -0.99 -0.0107022529441888 -0.0099354838709677 -0.301009190195438 -1.3382 -0.918 3615336 ACon1_001657 OC(=O)C(OC(=O)/C=C/c1ccc(O)c(O)c1)C(OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC(=O)/C=C/c3ccc(O)c(O)c3)C(OC(=O)/C=C/c4ccc(O)c(O)c4)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C18 compound treatment 0.0154 0.0164 0.46 0.668 0.0105 0.34 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 0.4104 0.7095 3615339 ACon1_001658 CC(C)/C=C/C=C(\C)/CCC\C(=C\COc1c(O)cc2C(=O)NCc2c1O)\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C19 compound treatment 0.0134 0.0144 0.4 0.665 0.00752 0.24 0.0112977470558112 0.0120645161290323 0.365511159523034 0.5843 0.9804 3554116 ACon1_001659 CCC(C)[C@@H]1N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C20 compound treatment 0.0194 0.0203 0.57 0.668 0.0105 0.34 0.00329774705581116 0.00406451612903226 0.12314012326177 0.5975 0.8838 3615343 ACon1_001660 C[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H](CC2(C)C)C4=CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)C6CC[C@@]5(C)[C@]4(C)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C21 compound treatment -0.0086 -0.00762 -0.21 0.671 0.0135 0.44 0.00629774705581115 0.00706451612903225 0.214029261859744 0.2534 0.4756 3558893 ACon1_001661 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C22 compound treatment 0.0214 0.0223 0.63 0.62 -0.0375 -1.22 0.00729774705581116 0.00806451612903226 0.244325641392402 -0.1996 -0.1436 3559174 ACon1_001662 OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(CC(=O)c23)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C23 compound treatment 0.0044 0.00536 0.15 0.654 -0.00348 -0.11 -0.0027022529441889 -0.0019354838709678 -0.0586381539341783 -0.0124 -0.0631 3615348 ACon1_001663 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(CN4CCCC4C(=O)O)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 C24 compound treatment 0.0214 0.0223 0.63 0.674 0.0165 0.54 0.00229774705581116 0.00306451612903226 0.0928437437291126 0.7248 0.8735 3559220 ACon1_001664 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D01 compound treatment 0.0174 0.0183 0.51 0.435 -0.222 -7.22 2.9774705581116E-4 0.00106451612903226 0.032250984663797 -3.8532 -0.5323 3615352 ACon1_001665 C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc3ccc(=O)oc13)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D02 compound treatment 0.0114 0.0124 0.35 0.649 -0.00848 -0.28 0.00129774705581115 0.00206451612903225 0.0625473641964545 0.0771 0.1725 3615355 ACon1_001666 O[C@@H]1CC(=O)c2cccc(O)c2[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D03 compound treatment 0.0024 0.00336 0.09 0.651 -0.00648 -0.21 -0.00270225294418884 -0.00193548387096774 -0.0586381539341765 -0.101 -0.4247 3615359 ACon1_001667 OCCCCC/C=C\C/C=C\C(O)CC1CCC(CC(=O)O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D04 compound treatment -0.0956 -0.0946 -2.65 0.663 0.00552 0.18 0.0142977470558112 0.0150645161290323 0.456400298121008 -1.165 -0.4318 3615363 ACon1_001668 COCC1OC(OC(C)(C)C2CCC3(C)C=C(CCC3O2)C4CCC5C4(C)CC(O)C6OC(CCC56C)C(C)(C)OC7OC(CO)C(O)C(O)C7NC(=O)C)C(NC(=O)C)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D05 compound treatment 0.0064 0.00736 0.21 0.658 5.16E-4 0.02 0.00929774705581117 0.0100645161290323 0.304918400457718 0.3048 0.8271 3615365 ACon1_001669 Cc1cc(O)c2c(=O)c3c(cc(O)cc3oc2c1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D06 compound treatment -0.4885 -0.488 -13.67 0.647 -0.0105 -0.34 -0.00770225294418885 -0.00693548387096775 -0.210120051597466 -8.2098 -0.6003 3615368 ACon1_001670 CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)CC(CCCCCCCCCC(C)C)OC1=O)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D07 compound treatment 0.0014 0.00236 0.07 0.661 0.00352 0.11 0.0132977470558112 0.0140645161290323 0.42610391858835 0.35 0.7848 3615370 ACon1_001671 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)COc2c3ccoc3cc4oc(=O)ccc24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D08 compound treatment -0.4405 -0.44 -12.32 0.664 0.00652 0.21 0.0102977470558112 0.0110645161290323 0.335214779990376 -6.7992 -0.5515 3554551 ACon1_001672 COC(=O)[C@]1(C)CC[C@@H](OC(=O)C)[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3([C@H](OC(=O)C)C4=C)[C@H](CC12)OC(=O)[C@]5(C)O[C@@H]5C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D09 compound treatment 0.0284 0.0294 0.82 0.652 -0.00548 -0.18 -0.0147022529441888 -0.0139354838709677 -0.422194708326069 0.1289 0.1368 3615375 ACon1_001673 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D10 compound treatment 0.0064 0.00737 0.21 0.645 -0.0125 -0.41 -0.0167022529441888 -0.0159354838709677 -0.482787467391385 -0.3934 -0.5932 3559785 ACon1_001674 COc1ccc(cc1)C2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D11 mock treatment -0.4685 -0.468 -13.11 0.676 0.0185 0.6 0.00829774705581117 0.00906451612903227 0.27462202092506 -7.0625 -0.5381 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D12 mock treatment -0.1325 -0.132 -3.69 0.622 -0.0355 -1.15 0.0122977470558112 0.0130645161290323 0.395807539055692 -2.5658 -0.6606 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D13 compound treatment 0.0214 0.0223 0.63 0.665 0.00752 0.24 0.00329774705581116 0.00406451612903226 0.12314012326177 0.5737 0.8393 3559167 ACon1_001675 COc1cc(/C=C/CO)cc2[C@@H](CO)[C@H](Oc21)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D14 compound treatment -0.0146 -0.0136 -0.38 0.653 -0.00448 -0.15 -0.00670225294418883 -0.00593548387096773 -0.179823672064807 -0.4084 -0.9145 3615378 ACon1_001676 CCCCCCc1cc(O)c(C)c(OC(=O)C)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D15 mock treatment 0.0024 0.00336 0.09 0.65 -0.00748 -0.24 -0.00870225294418885 -0.00793548387096775 -0.240416431130124 -0.2247 -0.6339 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D16 mock treatment 0.0044 0.00536 0.15 0.669 0.0115 0.37 0.0102977470558112 0.0110645161290323 0.335214779990376 0.4961 0.9466 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D17 compound treatment 0.0104 0.0113 0.32 0.651 -0.00648 -0.21 0.00629774705581117 0.00706451612903227 0.214029261859744 0.1857 0.4247 3615380 ACon1_001677 COc1cc(oc(=O)c1C)C(C)CC(C)(O)CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D18 compound treatment -0.6525 -0.652 -18.27 0.658 5.16E-4 0.02 0.0122977470558112 0.0130645161290323 0.395807539055692 -10.3086 -0.5642 3615382 ACon1_001678 COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D19 compound treatment 0.0024 0.00336 0.09 0.653 -0.00448 -0.15 -7.0225294418884E-4 6.4516129032257E-5 0.00195460513113918 -0.0286 -0.1647 3559250 ACon1_001679 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D20 compound treatment -0.2265 -0.226 -6.32 0.657 -4.84E-4 -0.02 0.00529774705581116 0.00606451612903226 0.183732882327086 -3.5537 -0.5618 3615386 ACon1_001680 COc1ccc(/C=C/c2cc(OC)cc(O)c2CC=C(C)C)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D21 compound treatment -0.0056 -0.00464 -0.13 0.681 0.0235 0.76 -0.00270225294418884 -0.00193548387096774 -0.0586381539341765 0.3316 0.4271 3615390 ACon1_001681 CC/C=C\CC/1C(=O)C=C\C1=C\CCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D22 compound treatment 0.0204 0.0213 0.6 0.645 -0.0125 -0.41 -0.0167022529441888 -0.0159354838709677 -0.482787467391385 -0.1671 -0.1923 3615393 ACon1_001682 CC1C2C(O)C(=O)C3(C)C(CCC4/C(=C(\CCC=C(C)C)/C(=O)O)/C(CC43C)OC(=O)C)C2(C)CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D23 compound treatment 4.0E-4 0.00136 0.04 0.672 0.0145 0.47 0.0122977470558112 0.0130645161290323 0.395807539055692 0.5226 0.8477 3559227 ACon1_001683 COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(COC(=O)c4ccc(O)c(OC)c4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 D24 compound treatment 0.0124 0.0134 0.38 0.682 0.0245 0.8 -0.0037022529441888 -0.0029354838709677 -0.0889345334668331 0.6246 0.7065 3615396 ACon1_001684 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)C6[C@@H](OC)C32)[C@@H]61 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E01 mock treatment 0.0064 0.00736 0.21 0.666 0.00852 0.28 -0.0177022529441888 -0.0169354838709677 -0.513083846924043 -0.0175 -0.0283 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E02 mock treatment -0.5345 -0.534 -14.96 0.651 -0.00648 -0.21 0.00229774705581117 0.00306451612903227 0.0928437437291129 -8.7043 -0.5818 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E03 compound treatment 0.0094 0.0104 0.29 0.64 -0.0175 -0.57 -0.0057022529441888 -0.0049354838709677 -0.149527292532149 -0.2463 -0.3762 3557617 ACon1_001685 CC1CC[C@H](OC(=O)c2ccoc2)[C@@]3(C)[C@H](C[C@@H]4C[C@]13OC4(C)C)OC(=O)c5ccccc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E04 compound treatment -0.0046 -0.00364 -0.1 0.658 5.16E-4 0.02 -0.0407022529441888 -0.0399354838709677 -1.20990057617517 -0.7478 -0.6158 3615401 ACon1_001686 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E05 compound treatment 0.0164 0.0174 0.49 0.68 0.0225 0.73 -0.0177022529441888 -0.0169354838709677 -0.513083846924043 0.407 0.4001 3557658 ACon1_001687 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E06 compound treatment -0.2355 -0.235 -6.58 0.679 0.0215 0.7 -7.022529441888E-4 6.4516129032297E-5 0.00195460513114039 -3.3921 -0.513 3615406 ACon1_001688 CO[C@@H]1[C@@H](C)O[C@@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E07 compound treatment 0.0454 0.0464 1.3 0.688 0.0305 0.99 0.00929774705581119 0.0100645161290323 0.304918400457718 1.4984 0.9013 3552666 ACon1_001689 C[C@@H]1C[C@H]2OCC3=CCC[C@@H]([C@@]23CO)[C@]1(CC(O)c4ccoc4)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E08 compound treatment 0.0034 0.00437 0.12 0.664 0.00652 0.21 0.0232977470558112 0.0240645161290323 0.729067713914928 0.6137 0.7981 3615410 ACon1_001690 COC1OC(O)C(O)C21CC[C@@]3(O2)[C@H](C)C[C@H]4OC(=O)[C@@]5(C)CCC[C@]3(C)C45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E09 mock treatment -0.4125 -0.412 -11.54 0.683 0.0255 0.83 0.0132977470558112 0.0140645161290323 0.42610391858835 -5.9374 -0.5129 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E10 mock treatment -0.0816 -0.0806 -2.26 0.691 0.0335 1.09 0.0262977470558112 0.0270645161290323 0.819956852512901 -0.2038 -0.0772 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E11 compound treatment -0.0146 -0.0136 -0.38 0.686 0.0285 0.93 0.0142977470558112 0.0150645161290323 0.456400298121008 0.577 0.5243 3615414 ACon1_001691 CC(C)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E12 compound treatment -0.0016 -6.43E-4 -0.02 0.656 -0.00148 -0.05 0.00629774705581115 0.00706451612903225 0.214029261859744 0.0854 0.3878 3615416 ACon1_001692 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)CC[C@@]31O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E13 compound treatment 0.0254 0.0264 0.74 0.653 -0.00448 -0.15 2.97747055811161E-4 0.00106451612903226 0.032250984663797 0.3616 0.4793 905 ACon1_001693 CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E14 compound treatment 0.0084 0.00935 0.26 0.661 0.00352 0.11 -0.00370225294418883 -0.00293548387096773 -0.088934533466834 0.1658 0.554 3615420 ACon1_001694 CC1CCC2(C)C(CC(O)C(O)C2(O)CO)C1(C)CCc3ccoc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E15 compound treatment 0.0054 0.00637 0.18 0.66 0.00252 0.08 0.00629774705581117 0.00706451612903227 0.214029261859744 0.2738 0.9427 3615422 ACon1_001695 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c3c(O)cc(O)c4c(=O)cc(oc34)c5ccccc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E16 compound treatment 0.0204 0.0213 0.6 0.654 -0.00348 -0.11 0.00829774705581117 0.00906451612903227 0.27462202092506 0.4388 0.6568 3615425 ACon1_001696 CCCCCC[C@H](O)/C=C/CC1=C(O)CC[C@H](O)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E17 mock treatment -0.0076 -0.00665 -0.19 0.685 0.0275 0.89 -0.0457022529441888 -0.0449354838709677 -1.36138247383846 -0.3781 -0.2307 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E18 mock treatment 0.0254 0.0264 0.74 0.668 0.0105 0.34 -0.0427022529441888 -0.0419354838709677 -1.27049333524049 -0.1095 -0.0726 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E19 compound treatment 0.0154 0.0164 0.46 0.665 0.00752 0.24 -0.0387022529441888 -0.0379354838709677 -1.14930781710986 -0.2576 -0.2042 3558102 ACon1_001697 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E20 compound treatment -0.0556 -0.0546 -1.53 0.631 -0.0265 -0.86 0.0092977470558112 0.0100645161290323 0.304918400457719 -1.2046 -0.6757 3558556 ACon1_001698 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E21 compound treatment 0.0084 0.00936 0.26 0.609 -0.0485 -1.57 -0.0587022529441888 -0.0579354838709677 -1.75523540776301 -1.7704 -0.7464 3615429 ACon1_001699 OC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)cc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E22 compound treatment -6.0E-4 3.67E-4 0.01 0.671 0.0135 0.44 -0.124702252944189 -0.123935483870968 -3.75479645691844 -1.9086 -0.5049 3559178 ACon1_001700 CC1(CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)OC(=O)/C=C/c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E23 compound treatment 0.0104 0.0114 0.32 0.648 -0.00948 -0.31 -0.0527022529441888 -0.0519354838709677 -1.57345713056707 -0.9023 -0.552 3615432 ACon1_001701 CC(=O)NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 E24 compound treatment -0.0156 -0.0146 -0.41 0.685 0.0275 0.89 -0.00270225294418886 -0.00193548387096776 -0.0586381539341771 0.2449 0.2487 3557371 ACon1_001702 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O)c2)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F01 mock treatment -0.0746 -0.0737 -2.07 0.596 -0.0615 -2.0 -0.00570225294418884 -0.00493548387096774 -0.14952729253215 -2.4306 -0.8453 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F02 mock treatment 0.0084 0.00935 0.26 0.639 -0.0185 -0.6 -0.0157022529441889 -0.0149354838709678 -0.45249108785873 -0.4563 -0.5734 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F03 compound treatment 0.0214 0.0223 0.63 0.544 -0.113 -3.68 0.00129774705581116 0.00206451612903226 0.0625473641964548 -1.7286 -0.4626 3615435 ACon1_001703 C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC(O)[C@@]2(C)C3CC[C@@H]4[C@]5(C[C@@]35CC(O)[C@]12C)CC[C@H](O[C@@H]6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C4(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F04 compound treatment -0.0206 -0.0196 -0.55 0.672 0.0145 0.47 -0.122702252944189 -0.121935483870968 -3.69420369785312 -2.1789 -0.5788 3615438 ACon1_001704 CC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)c6ccc(O)c(O)c6)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F05 compound treatment -0.1365 -0.136 -3.8 0.623 -0.0345 -1.12 -0.00170225294418884 -9.35483870967743E-4 -0.0283417744015186 -2.8564 -0.7211 3615441 ACon1_001705 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(C)OC(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F06 compound treatment -0.1655 -0.165 -4.61 0.642 -0.0155 -0.5 -0.0017022529441888 -9.35483870967703E-4 -0.0283417744015174 -2.9701 -0.64 3554104 ACon1_001706 CCC(C)(NC(=O)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)N)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F07 compound treatment -0.1405 -0.14 -3.91 0.64 -0.0175 -0.57 -0.0527022529441888 -0.0519354838709677 -1.57345713056707 -3.4947 -0.8214 3615443 ACon1_001707 COc1cc(O)c2c(=O)oc(/C=C/C(=O)O)cc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F08 compound treatment 0.0234 0.0244 0.68 0.656 -0.00148 -0.05 -0.0087022529441888 -0.0079354838709677 -0.240416431130122 0.228 0.314 3559796 ACon1_001708 CC(=O)OC1CCC2(C)C(CC[C@@H]3[C@@H]2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F09 mock treatment -0.0636 -0.0626 -1.76 0.653 -0.00448 -0.15 -0.108702252944189 -0.107935483870968 -3.27005438439591 -2.9858 -0.8038 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F10 mock treatment -0.0066 -0.00565 -0.16 0.622 -0.0355 -1.15 -0.0167022529441888 -0.0159354838709677 -0.482787467391385 -1.0351 -0.8224 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F11 compound treatment -0.1235 -0.123 -3.44 0.657 -4.84E-4 -0.02 -0.235702252944189 -0.234935483870968 -7.11769458504345 -6.1023 -0.7721 3615449 ACon1_001709 C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2(C)C3CC[C@@H]4[C@]5(C[C@@]35CC(O)[C@]12C)CC[C@H](OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C4(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F12 compound treatment -0.0496 -0.0487 -1.36 0.645 -0.0125 -0.41 -0.0217022529441889 -0.0209354838709678 -0.634269365054677 -1.3877 -0.8907 3557871 ACon1_001710 OC(=O)[C@]1(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)/C=C/c4ccc(O)c(O)c4)OC(=O)/C=C/c5ccc(O)c(O)c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F13 compound treatment -0.1145 -0.114 -3.18 0.648 -0.00948 -0.31 0.00229774705581117 0.00306451612903227 0.0928437437291129 -1.9619 -0.6132 3553379 ACon1_001711 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)C)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)c5cccnc5)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F14 compound treatment -0.2765 -0.276 -7.73 0.626 -0.0315 -1.02 -0.119702252944189 -0.118935483870968 -3.60331455925515 -7.1307 -0.8305 3615454 ACon1_001712 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F15 compound treatment -0.0606 -0.0597 -1.67 0.652 -0.00548 -0.18 -0.119702252944189 -0.118935483870968 -3.60331455925515 -3.1487 -0.7918 3615457 ACon1_001713 CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F16 compound treatment 0.0034 0.00437 0.12 0.68 0.0225 0.73 -0.0717022529441888 -0.0709354838709677 -2.14908834168756 -0.7482 -0.3291 3615460 ACon1_001714 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(Oc5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F17 mock treatment -0.0316 -0.0306 -0.86 0.63 -0.0275 -0.89 0.0182977470558112 0.0190645161290323 0.577585816251639 -0.6774 -0.4958 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F18 mock treatment -0.0786 -0.0777 -2.18 0.667 0.00952 0.31 0.0142977470558112 0.0150645161290323 0.456400298121008 -0.8152 -0.363 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F19 compound treatment -0.7475 -0.747 -20.93 0.659 0.00152 0.05 0.0162977470558112 0.0170645161290323 0.516993057186323 -11.7574 -0.5616 3559265 ACon1_001715 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@@H]5OC[C@@]6(C)C5[C@]1(C)[C@H](C[C@H]6OC(=O)C)OC(=O)/C(=C/C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F20 compound treatment 0.0104 0.0114 0.32 0.457 -0.2 -6.51 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 -3.6242 -0.5563 3615464 ACon1_001716 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H](Cl)[C@@](O)(COC(=O)c4ccccc4)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F21 compound treatment -0.0726 -0.0717 -2.01 0.631 -0.0265 -0.86 -0.109702252944189 -0.108935483870968 -3.30035076392857 -3.5616 -0.8998 3615468 ACon1_001717 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C1O)[C@H]2CC(O)[C@@]3(C)C4CC[C@@H]5[C@]6(C[C@@]46CC(O)[C@]23C)CC[C@H](O[C@@H]7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C5(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F22 compound treatment -0.0456 -0.0447 -1.25 0.666 0.00852 0.28 -0.00670225294418883 -0.00593548387096773 -0.179823672064807 -0.6671 -0.5152 3615471 ACon1_001718 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F23 compound treatment 0.0114 0.0124 0.35 0.618 -0.0395 -1.28 -0.0107022529441888 -0.0099354838709677 -0.301009190195438 -0.7133 -0.524 3615473 ACon1_001719 CCCCCCCCC#CC#C/C=C/CCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 F24 compound treatment 0.0384 0.0393 1.1 0.685 0.0275 0.89 0.0412977470558112 0.0420645161290323 1.27440254550277 1.8883 0.9899 3615477 ACon1_001720 COc1cc(nc(/C=N/O)c1SC)c2ccccn2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G01 compound treatment 0.0284 0.0294 0.82 0.647 -0.0105 -0.34 -0.00470225294418881 -0.00393548387096771 -0.119230912999491 0.2101 0.2337 3615480 ACon1_001721 C/C=C/C#CC#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G02 compound treatment 0.0104 0.0114 0.32 0.661 0.00352 0.11 0.0152977470558112 0.0160645161290323 0.486696677653665 0.5309 0.8955 3615484 ACon1_001722 CC1OC(Oc2ccc(cc2)c3cc(=O)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4o3)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G03 mock treatment -0.0596 -0.0587 -1.64 0.648 -0.00948 -0.31 0.0132977470558112 0.0140645161290323 0.42610391858835 -0.8811 -0.5104 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G04 mock treatment 0.0344 0.0354 0.99 0.673 0.0155 0.5 0.0132977470558112 0.0140645161290323 0.42610391858835 1.1092 0.9314 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G05 compound treatment 0.0344 0.0354 0.99 0.692 0.0345 1.12 0.0322977470558112 0.0330645161290323 1.00173512970885 1.7976 0.9984 3552804 ACon1_001723 C[C@@H]1O[C@@H](Oc2ccc(cc2)c3coc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G06 compound treatment -0.0216 -0.0206 -0.58 0.632 -0.0255 -0.83 -0.0277022529441889 -0.0269354838709678 -0.816047642250624 -1.2826 -0.9882 3615487 ACon1_001724 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c3cc(O)c(O)c(O)c3)C1O)c4c(O)cc(O)c(C(=O)c5ccc(O)cc5)c4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G07 compound treatment 0.0074 0.00837 0.23 0.642 -0.0155 -0.5 0.00929774705581119 0.0100645161290323 0.304918400457718 0.0213 0.0337 3557601 ACon1_001725 CO[C@@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)C23)c4c(O)c(O)c(cc14)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G08 compound treatment 0.0144 0.0154 0.43 0.667 0.00952 0.31 -7.022529441888E-4 6.4516129032297E-5 0.00195460513114039 0.4283 0.8077 3615490 ACon1_001726 CC1(CO)CC[C@@]2(COC34C=CC5[C@@]6(C)CC[C@H](OC7OCC(O)C(O)C7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)CC2O)C3C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G09 compound treatment 0.0224 0.0233 0.65 0.674 0.0165 0.54 0.0292977470558112 0.0300645161290323 0.910845991110875 1.2133 0.976 3559858 ACon1_001727 CCCCC[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G10 compound treatment -0.3845 -0.384 -10.75 0.689 0.0315 1.02 0.0232977470558112 0.0240645161290323 0.729067713914928 -5.1971 -0.48 3615494 ACon1_001728 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)[C@H]4[C@@H]1[C@H](O)C[C@]4(C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G11 compound treatment 0.0244 0.0253 0.71 0.679 0.0215 0.7 0.0132977470558112 0.0140645161290323 0.42610391858835 1.0595 0.9777 3557471 ACon1_001729 COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G12 compound treatment -0.0436 -0.0426 -1.2 0.659 0.00152 0.05 0.0272977470558112 0.0280645161290323 0.850253232045559 -0.1708 -0.1164 3615499 ACon1_001730 C[C@H]1CCc2cccnc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G13 compound treatment 0.0424 0.0434 1.22 0.614 -0.0435 -1.41 0.0212977470558112 0.0220645161290323 0.668474954849612 0.2731 0.138 3615503 ACon1_001731 CCCCCCCCCCCCCCCC(=O)CCO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G14 compound treatment 0.0154 0.0164 0.46 0.68 0.0225 0.73 0.0102977470558112 0.0110645161290323 0.335214779990376 0.8801 0.951 3557525 ACon1_001732 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c4ccc(O)c(O)c4)C(OC5OCC(O)C(O)C5O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G15 compound treatment 0.0254 0.0264 0.74 0.702 0.0445 1.44 0.0282977470558112 0.0290645161290323 0.880549611578217 1.7695 0.9583 3615506 ACon1_001733 Cc1ccc(c(O)c1)C(O)(CO)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G16 compound treatment 0.0114 0.0124 0.35 0.668 0.0105 0.34 -0.00470225294418891 -0.00393548387096781 -0.119230912999494 0.3281 0.6555 3615508 ACon1_001734 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G17 compound treatment -0.0396 -0.0386 -1.08 0.701 0.0435 1.41 0.0312977470558112 0.0320645161290323 0.97143875017619 0.7509 0.3703 3615509 ACon1_001735 COc1cccc2C(=O)c3c(C(O)c12)c(SCC(NC(=O)C)C(=O)O)cc4C(O)C(C)CC(=O)c43 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G18 compound treatment -0.0706 -0.0697 -1.95 0.686 0.0285 0.93 0.0132977470558112 0.0140645161290323 0.42610391858835 -0.3472 -0.1576 3615511 ACon1_001736 CCC(C)C(NC(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(=O)CCC(NC(=O)C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G19 mock treatment 0.0224 0.0234 0.66 0.65 -0.00748 -0.24 0.00929774705581115 0.0100645161290322 0.304918400457717 0.4142 0.5432 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G20 mock treatment 0.0044 0.00537 0.15 0.654 -0.00348 -0.11 0.0172977470558112 0.0180645161290323 0.547289436718981 0.3376 0.5833 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G21 compound treatment 0.0394 0.0404 1.13 0.682 0.0245 0.8 0.0152977470558112 0.0160645161290323 0.486696677653665 1.3938 0.9504 2106469 ACon1_001737 COc1ccc2ccc(=O)oc2c1C(O)C(O)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G22 compound treatment 0.0204 0.0213 0.6 0.681 0.0235 0.76 0.0122977470558112 0.0130645161290323 0.395807539055692 1.0147 0.9686 3615514 ACon1_001738 COC1=CC(=O)OC1C(O)C(O)C(OC(=O)C)c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G23 compound treatment 0.0214 0.0223 0.63 0.684 0.0265 0.86 0.0152977470558112 0.0160645161290323 0.486696677653665 1.1396 0.9736 3615516 ACon1_001739 C[C@@H]1O[C@@H](Oc2ccc(cc2O)C3Oc4cc(O)cc(O)c4C(=O)C3O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 G24 compound treatment -0.0096 -0.00864 -0.24 0.662 0.00452 0.15 0.00629774705581115 0.00706451612903225 0.214029261859744 0.0683 0.1924 3559198 ACon1_001740 C[C@H]1[C@@]2(O)[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@@]32C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)O[C@@]91CCC(C)CO9 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H01 compound treatment 0.0224 0.0233 0.65 0.667 0.00952 0.31 0.00229774705581116 0.00306451612903226 0.0928437437291126 0.6098 0.8357 3615520 ACon1_001741 CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)C3CCC4CC3(CC4(O)CO)CC[C@H]12)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H02 compound treatment 0.0024 0.00335 0.09 0.685 0.0275 0.89 0.0242977470558112 0.0250645161290323 0.759364093447586 1.0082 0.8573 3615525 ACon1_001742 COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H03 mock treatment 0.0124 0.0134 0.37 0.661 0.00352 0.11 0.00229774705581115 0.00306451612903225 0.0928437437291123 0.3357 0.8344 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H04 mock treatment 0.0194 0.0203 0.57 0.67 0.0125 0.41 0.00929774705581115 0.0100645161290322 0.304918400457717 0.7399 0.9687 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H05 compound treatment 0.0114 0.0124 0.35 0.644 -0.0135 -0.44 0.00729774705581119 0.00806451612903229 0.244325641392403 0.0888 0.1456 3615530 ACon1_001743 COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc5c(=O)oc1c2c53 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H06 compound treatment 0.0144 0.0153 0.43 0.611 -0.0465 -1.51 0.0102977470558112 0.0110645161290323 0.335214779990376 -0.429 -0.2675 3552916 ACon1_001744 C[C@H](/C=C/C=C(\C)/C(=O)N[C@H]1[C@@H](C)[C@@H](C)OC1=O)[C@H]2CC[C@@]3(C)[C@@H]4CCC5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)C5(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H07 compound treatment 0.0134 0.0143 0.4 0.125 -0.532 -17.28 0.0312977470558112 0.0320645161290323 0.97143875017619 -9.1844 -0.5305 2060370 ACon1_001745 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5c(OC)cc4c3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H08 compound treatment 0.0104 0.0113 0.32 0.67 0.0125 0.41 0.00629774705581115 0.00706451612903225 0.214029261859744 0.5418 0.9699 3559797 ACon1_001746 CO[C@H]1C[C@H](OC2CCC3(C)[C@@H](CCC4C3CCC5(C)C(CC(OC(=O)C)C45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H09 compound treatment 0.0364 0.0374 1.05 0.673 0.0155 0.5 -0.0707022529441888 -0.0699354838709677 -2.11879196215491 -0.3277 -0.1356 3615536 ACon1_001747 CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]54C)[C@@]2(C)CO)C(OC7OC(C(O)C(O)C7OC8OCC(O)C(O)C8O)C(=O)O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H10 compound treatment -0.1645 -0.164 -4.59 0.699 0.0415 1.35 0.0312977470558112 0.0320645161290323 0.97143875017619 -1.3087 -0.2683 3559799 ACon1_001748 C[C@@H]1O[C@@H](OC2CCC3(C)[C@@H](CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H11 compound treatment 0.0194 0.0203 0.57 0.678 0.0205 0.67 -0.0207022529441888 -0.0199354838709677 -0.603972985522016 0.3651 0.3429 3055308 ACon1_001749 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H12 compound treatment -0.0026 -0.00165 -0.05 0.678 0.0205 0.67 -7.0225294418884E-4 6.4516129032257E-5 0.00195460513113918 0.3588 0.5376 3615541 ACon1_001750 CCCC1=CC(=O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H13 compound treatment -0.0016 -6.33E-4 -0.02 0.662 0.00452 0.15 -0.0327022529441888 -0.0319354838709677 -0.96752953991391 -0.4842 -0.4948 3558466 ACon1_001751 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H14 compound treatment 0.0174 0.0184 0.51 0.664 0.00652 0.21 0.0232977470558112 0.0240645161290323 0.729067713914928 0.8402 0.9161 3615544 ACon1_001752 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@]41CCC5(COC(O)C5)O4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H15 compound treatment -0.4325 -0.432 -12.1 0.681 0.0235 0.76 -0.0747022529441888 -0.0739354838709677 -2.23997748028554 -7.8379 -0.6358 3615548 ACon1_001753 COc1ccc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)c3cc(C)oc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H16 compound treatment 0.0284 0.0294 0.82 0.673 0.0155 0.5 0.00829774705581117 0.00906451612903227 0.27462202092506 0.9247 0.9215 3615551 ACon1_001754 COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc4-c2c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H17 compound treatment -0.2505 -0.25 -7.0 0.658 5.16E-4 0.02 0.00929774705581116 0.0100645161290323 0.304918400457717 -3.8535 -0.5503 3615554 ACon1_001755 CC1OC(OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CCC6=C5CC[C@]7(CCC(C)(C)CC67)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H18 compound treatment 0.0034 0.00436 0.12 0.675 0.0175 0.57 0.0132977470558112 0.0140645161290323 0.42610391858835 0.6448 0.8945 3615558 ACon1_001756 C[C@@H]1O[C@H]2Oc3c(oc4cc(O)c(c(O)c4c3=O)-c5cc(/C=C/C(=O)OC[C@H]6O[C@@H](O[C@H]([C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]6O)ccc5O)c7ccc(O)c(O)c7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H19 mock treatment 0.0244 0.0254 0.71 0.67 0.0125 0.41 0.0142977470558112 0.0150645161290323 0.456400298121008 0.9086 0.9691 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H20 mock treatment 0.0194 0.0203 0.57 0.681 0.0235 0.76 0.00729774705581115 0.00806451612903225 0.244325641392401 0.9111 0.9262 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H21 compound treatment 0.0154 0.0163 0.46 0.677 0.0195 0.63 -7.0225294418884E-4 6.4516129032257E-5 0.00195460513113918 0.6314 0.8076 3615562 ACon1_001757 CC1CCC2C(C)(C=O)C(O)CCC2(C)C1CC/C(=C\C(=O)O)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H22 compound treatment 0.0274 0.0283 0.79 0.667 0.00952 0.31 0.0152977470558112 0.0160645161290323 0.486696677653665 0.9182 0.9352 3558771 ACon1_001758 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H23 compound treatment 0.0084 0.00936 0.26 0.687 0.0295 0.96 0.0272977470558112 0.0280645161290323 0.850253232045559 1.1955 0.9144 3615567 ACon1_001759 COc1ccc2c3[C@H](OCC=C(C)C)[C@]4(O)N([C@H]5CC(C)(C)OO[C@H](C=C(C)C)n(c53)c2c1)C(=O)[C@@H]6CCCN6C4=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 H24 compound treatment 0.0274 0.0284 0.8 0.665 0.00752 0.24 0.0112977470558112 0.0120645161290323 0.365511159523034 0.8112 0.8925 1055133 ACon1_001760 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I01 compound treatment 0.0074 0.00835 0.23 0.648 -0.00948 -0.31 -0.0117022529441889 -0.0109354838709678 -0.331305569728099 -0.2339 -0.4593 3615574 ACon1_001761 CNC1CCC23CC34CCC5(C)C(C(C)N(C)C(=O)C)C(O)CC5(C)C4CCC2C1=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I02 compound treatment -0.0186 -0.0176 -0.49 0.654 -0.00348 -0.11 -0.00270225294418881 -0.00193548387096771 -0.0586381539341755 -0.3846 -0.7533 3615576 ACon1_001762 C[C@@H]1O[C@@H](OC(=O)[C@@]23CCC(C)(C)CC3C4=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@@H]%10O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I03 compound treatment -0.0066 -0.00562 -0.16 0.552 -0.105 -3.42 -0.00470225294418884 -0.00393548387096774 -0.119230912999492 -2.1364 -0.623 3555361 ACon1_001763 COCC1C(=O)O[C@H]2C[C@@]3(C)OC(=O)/C(=C/C)/[C@]43CC[C@@](C)(O)CC(=O)[C@]12O4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I04 compound treatment -0.0206 -0.0196 -0.55 0.648 -0.00948 -0.31 -0.0187022529441889 -0.0179354838709678 -0.543380226456703 -0.8092 -0.9721 3615580 ACon1_001764 CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1O)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I05 mock treatment -0.0136 -0.0126 -0.35 0.676 0.0185 0.6 0.0172977470558112 0.0180645161290323 0.547289436718981 0.4587 0.5174 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I06 mock treatment -0.0286 -0.0276 -0.77 0.654 -0.00348 -0.11 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 -0.5637 -0.7157 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I07 compound treatment 0.0084 0.00936 0.26 0.666 0.00852 0.28 0.0172977470558112 0.0180645161290323 0.547289436718981 0.6271 0.9402 3615585 ACon1_001765 O[C@@H]1[C@@H](COC(=O)/C=C/c2ccc(O)cc2)O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H]1OC(=O)/C=C/c6ccc(O)cc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I08 compound treatment 0.0114 0.0123 0.35 0.648 -0.00948 -0.31 -0.0197022529441889 -0.0189354838709678 -0.573676605989361 -0.3091 -0.4192 3615588 ACon1_001766 C[C@H]1[C@H](O)C=CC2=CC(=O)[C@@](O)(C[C@]12C)C(=C)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I09 compound treatment 0.0224 0.0234 0.66 0.65 -0.00748 -0.24 -0.0137022529441888 -0.0129354838709677 -0.391898328793411 0.012 0.0149 3554244 ACon1_001767 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I10 compound treatment 0.0074 0.00835 0.23 0.657 -4.84E-4 -0.02 0.00729774705581115 0.00806451612903225 0.244325641392401 0.2671 0.7887 3615592 ACon1_001768 C[C@H]1CCc2ccncc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)[C@]4(C)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I11 compound treatment -0.0266 -0.0256 -0.72 0.66 0.00252 0.08 0.0112977470558112 0.0120645161290323 0.365511159523034 -0.1568 -0.1934 3555007 ACon1_001769 COc1cc(OC)c2c(O)c3C(=O)CC(C)(O)Oc3cc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I12 compound treatment 0.0114 0.0123 0.35 0.656 -0.00148 -0.05 -7.0225294418885E-4 6.45161290322469E-5 0.00195460513113888 0.1732 0.4955 3615597 ACon1_001770 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I13 compound treatment 0.0114 0.0124 0.35 0.669 0.0115 0.37 0.00929774705581117 0.0100645161290323 0.304918400457718 0.5922 0.9966 3615600 ACon1_001771 COc1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I14 compound treatment 0.0094 0.0103 0.29 0.649 -0.00848 -0.28 -0.00670225294418884 -0.00593548387096774 -0.179823672064808 -0.0953 -0.2173 3615602 ACon1_001772 COc1cc(O)c-2c(CCc3cc(O)c(OC)cc32)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I15 compound treatment -0.0896 -0.0886 -2.49 0.649 -0.00848 -0.28 -0.0107022529441889 -0.0099354838709678 -0.301009190195441 -1.7675 -0.7019 3615604 ACon1_001773 O[C@@H]1[C@@H](Oc2c([C@H]3C[C@@H](Oc4cc(O)ccc34)c5ccc(O)c(O)c5)c(O)cc(O)c2C1=O)c6ccc(O)c(O)c6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I16 compound treatment -0.3095 -0.309 -8.65 0.645 -0.0125 -0.41 -0.00770225294418891 -0.00693548387096781 -0.210120051597468 -5.3495 -0.6176 3615608 ACon1_001774 CC1(C)C2CC[C@]3(C[C@H]4CC[C@H]3[C@@]52CC[C@@]1(O)OC5)CC4(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I17 compound treatment 0.0234 0.0244 0.68 0.672 0.0145 0.47 -0.00270225294418886 -0.00193548387096776 -0.0586381539341771 0.6327 0.7603 3615612 ACon1_001775 OC[C@H]1O[C@@H](Oc2ccc(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I18 compound treatment 0.0284 0.0294 0.82 0.66 0.00252 0.08 -0.00370225294418881 -0.00293548387096771 -0.0889345334668334 0.4713 0.5662 3558031 ACon1_001776 COc1ccc(/C=C/C(=O)OC2C(C)OC(OC3C4OC4(CO)C5C3C=COC5OC6OC(CO)C(O)C(O)C6O)C(O)C2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I19 compound treatment -6.0E-4 3.77E-4 0.01 0.649 -0.00848 -0.28 0.0142977470558112 0.0150645161290323 0.456400298121008 0.1106 0.2075 3554120 ACon1_001777 CCC(C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I20 compound treatment 0.0084 0.00935 0.26 0.472 -0.185 -6.02 -0.00270225294418886 -0.00193548387096776 -0.0586381539341771 -3.3581 -0.5573 3559162 ACon1_001778 Oc1ccc(cc1)[C@H]2[C@H]([C@@H]3[C@H](c4ccc(O)cc4)c5ccc(O)cc5OC3=O)C(=O)Oc6cc(O)ccc26 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I21 mock treatment 0.0084 0.00936 0.26 0.644 -0.0135 -0.44 -0.00670225294418891 -0.00593548387096781 -0.17982367206481 -0.205 -0.379 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I22 mock treatment 0.0104 0.0113 0.32 0.676 0.0185 0.6 0.00829774705581115 0.00906451612903225 0.274622020925059 0.6892 0.9398 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I23 compound treatment -0.1385 -0.138 -3.86 0.673 0.0155 0.5 0.00629774705581115 0.00706451612903225 0.214029261859744 -1.812 -0.4652 3615618 ACon1_001779 COc1cc(CCC(=O)O)oc(=O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 I24 compound treatment 0.0014 0.00236 0.07 0.642 -0.0155 -0.5 -0.0247022529441889 -0.0239354838709678 -0.72515850365265 -0.6706 -0.7579 3615620 ACon1_001780 CC(C)C(=C)CCC(C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(=O)C)[C@]12C)[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)C4CC3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J01 compound treatment -0.0206 -0.0196 -0.55 0.621 -0.0365 -1.18 -0.0407022529441889 -0.0399354838709678 -1.20990057617518 -1.7 -0.955 3615624 ACon1_001781 CC(=CCc1c(O)ccc2cc(O)c(=O)oc12)COC3OC(CO)C(O)C(O)C3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J02 compound treatment -0.0426 -0.0416 -1.17 0.649 -0.00848 -0.28 -0.0157022529441889 -0.0149354838709678 -0.45249108785873 -1.0941 -0.8536 3615625 ACon1_001782 CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)OC8OC(CO)C(OC9OCC(OC%10OCC(O)C(O)C%10O)C(O)C9O)C(O)C8O)C3(C)C)OC(C2O)C(=O)O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J03 compound treatment -6.0E-4 3.67E-4 0.01 0.642 -0.0155 -0.5 -0.0277022529441889 -0.0269354838709678 -0.816047642250624 -0.7553 -0.7881 3615627 ACon1_001783 CC1(CO)CC(O)[C@@]2(CCC34CC4(C=CC5[C@@]6(C)C[C@@H](O)[C@H](O)C(CO)(CO)C6CC[C@]53C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J04 compound treatment -0.0046 -0.00364 -0.1 0.649 -0.00848 -0.28 -0.00970225294418891 -0.00893548387096781 -0.270712810662783 -0.3742 -0.937 3558573 ACon1_001784 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O)C(C)(C)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J05 mock treatment -0.0096 -0.00864 -0.24 0.635 -0.0225 -0.73 -0.00570225294418881 -0.00493548387096771 -0.149527292532149 -0.6475 -0.8267 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J06 mock treatment -0.0026 -0.00164 -0.05 0.66 0.00252 0.08 0.00829774705581117 0.00906451612903227 0.27462202092506 0.1791 0.6172 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J07 compound treatment 0.0054 0.00635 0.18 0.63 -0.0275 -0.89 -0.0187022529441889 -0.0179354838709678 -0.543380226456703 -0.726 -0.6852 3615632 ACon1_001785 COc1cc(O)cc(C)c1C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(OC)c2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J08 compound treatment -0.0016 -6.43E-4 -0.02 0.651 -0.00648 -0.21 -0.0077022529441888 -0.0069354838709677 -0.210120051597464 -0.2532 -0.8499 3559809 ACon1_001786 CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC2CCC3(C)C(CC[C@@H]4[C@@H]3CCC5(C)C(C(O)CC45O)C6=CC(=O)OC6)C2)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J09 compound treatment 0.0054 0.00635 0.18 0.641 -0.0165 -0.53 -0.0277022529441889 -0.0269354838709678 -0.816047642250624 -0.6773 -0.6828 3557709 ACon1_001787 COc1cc(cc(OC)c1O)C2C(COC3OC(CO)C(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J10 compound treatment -0.0336 -0.0326 -0.91 0.641 -0.0165 -0.53 -0.0117022529441889 -0.0109354838709678 -0.331305569728099 -1.0282 -0.9262 3559803 ACon1_001788 CC12CC[C@H]3C(CCC4(O)CC(O)CCC34O)C2(O)CCC1C5=CC(=O)OC5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J11 compound treatment 0.0044 0.00537 0.15 0.658 5.16E-4 0.02 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 0.0452 0.2574 3559166 ACon1_001789 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5ccc4c3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J12 compound treatment -0.0086 -0.00763 -0.21 0.659 0.00152 0.05 -0.00670225294418884 -0.00593548387096774 -0.179823672064808 -0.199 -0.701 3615637 ACon1_001790 O[C@@H]1CO[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J13 compound treatment -0.0076 -0.00663 -0.19 0.648 -0.00948 -0.31 -0.0107022529441888 -0.0099354838709677 -0.301009190195438 -0.4589 -0.9785 3557350 ACon1_001791 C[C@@H]1CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J14 compound treatment -0.2245 -0.224 -6.27 0.643 -0.0145 -0.47 -0.00470225294418884 -0.00393548387096774 -0.119230912999492 -3.9586 -0.6298 3615642 ACon1_001792 CC1(CCCC2(C)C3CCC(=C)C(C=C)C3CCC12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J15 compound treatment 4.0E-4 0.00136 0.04 0.658 5.16E-4 0.02 -0.0147022529441889 -0.0139354838709678 -0.422194708326072 -0.2121 -0.5 3615644 ACon1_001793 Cc1cc2c(CO)cc(SCC(O)C(=O)O)cc2o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J16 compound treatment -0.0106 -0.00962 -0.27 0.645 -0.0125 -0.41 -0.0117022529441889 -0.0109354838709678 -0.331305569728099 -0.581 -0.9867 3615646 ACon1_001794 OCC1OC(Oc2c(O)cccc2COC(=O)C3(O)C=CCCC3=O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J17 compound treatment -0.4345 -0.434 -12.16 0.625 -0.0325 -1.05 -0.0217022529441889 -0.0209354838709678 -0.634269365054677 -7.9929 -0.6542 3615649 ACon1_001795 OC(CNC(=O)/C=C/c1ccc(O)cc1)c2ccc(O)cc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J18 compound treatment -0.0016 -6.43E-4 -0.02 0.654 -0.00348 -0.11 -0.00170225294418885 -9.35483870967753E-4 -0.0283417744015189 -0.0921 -0.7804 3615653 ACon1_001796 C[C@@H]1O[C@H]2Oc3c(oc4cc(O)c(c(O)c4c3=O)-c5cc(/C=C/C(=O)OC[C@H]6O[C@@H](O[C@H]([C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]6O)ccc5O)c7ccc(O)cc7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J19 compound treatment 0.0044 0.00535 0.15 0.651 -0.00648 -0.21 -7.0225294418884E-4 6.4516129032257E-5 0.00195460513113918 -0.0338 -0.1309 3615657 ACon1_001797 COCC1OC(OC(C)(C)C(O)CCC2(C)C/C(=C/3\CCC4C3(C)CC(O)C5OC(CCC45C)C(C)(C)OC6OC(COC)C(O)C(O)C6NC(=O)C)/CCC2O)C(NC(=O)C)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J20 compound treatment 0.0104 0.0114 0.32 0.672 0.0145 0.47 0.00129774705581116 0.00206451612903226 0.0625473641964548 0.4923 0.8601 3615662 ACon1_001798 CC1OC(Oc2cc(O)c3c(=O)cc(oc3c2C4OC(CO)C(O)C(O)C4O)c5ccc(O)cc5)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J21 mock treatment 0.0124 0.0134 0.37 0.663 0.00552 0.18 0.00729774705581117 0.00806451612903227 0.244325641392402 0.4606 0.9564 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J22 mock treatment -0.0106 -0.00962 -0.27 0.636 -0.0215 -0.7 -0.0237022529441889 -0.0229354838709678 -0.694862124119992 -0.9595 -0.9401 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J23 compound treatment 0.0024 0.00337 0.09 0.645 -0.0125 -0.41 -0.0147022529441889 -0.0139354838709678 -0.422194708326072 -0.4232 -0.714 3615664 ACon1_001799 CC(C)CC1NC(=O)C(CC(C)C)N(O[C@@H]2O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 J24 compound treatment 0.0134 0.0143 0.4 0.653 -0.00448 -0.15 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 0.0969 0.2217 3615667 ACon1_001800 COc1ccc2nccc(C(O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K01 compound treatment 0.0174 0.0184 0.52 0.666 0.00852 0.28 0.00929774705581117 0.0100645161290323 0.304918400457718 0.6331 0.9601 3615669 ACon1_001801 CCN1CC2(COC)CCC(O)C3(C4CC5C(O)C4C(O)(CC5OC)C6C(OC)C32)C61 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K02 compound treatment -0.0036 -0.00263 -0.07 0.639 -0.0185 -0.6 -0.0227022529441889 -0.0219354838709678 -0.664565744587335 -0.7727 -0.8601 3615671 ACon1_001802 CC1=CCC(CC1)C(C)(C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K03 compound treatment 0.0134 0.0144 0.4 0.648 -0.00948 -0.31 -0.00370225294418884 -0.00293548387096774 -0.0889345334668343 0.0033 0.0065 3558951 ACon1_001803 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K04 compound treatment 0.0174 0.0183 0.51 0.66 0.00252 0.08 0.00729774705581115 0.00806451612903225 0.244325641392401 0.4852 0.8434 3615676 ACon1_001804 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(CC=C)cc3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K05 compound treatment 0.0204 0.0213 0.6 0.692 0.0345 1.12 0.0242977470558112 0.0250645161290323 0.759364093447586 1.4307 0.9669 3555002 ACon1_001805 COc1cc(oc(=O)c1)[C@H](Cc2ccccc2)NC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K06 compound treatment 0.0184 0.0194 0.54 0.649 -0.00848 -0.28 0.00929774705581117 0.0100645161290323 0.304918400457718 0.3307 0.4856 3615680 ACon1_001806 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K07 mock treatment -0.0016 -6.33E-4 -0.02 0.687 0.0295 0.96 0.0282977470558112 0.0290645161290323 0.880549611578217 1.0512 0.8078 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K08 mock treatment 0.0114 0.0124 0.35 0.689 0.0315 1.02 0.0202977470558112 0.0210645161290323 0.638178575316955 1.1589 0.9239 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K09 compound treatment 0.0264 0.0274 0.77 0.684 0.0265 0.86 0.0222977470558112 0.0230645161290323 0.69877133438227 1.3433 0.9964 3553885 ACon1_001807 CC1(CC(=O)O)CCC2(O1)C(=CCC3C(C)(C)C(O)CCC32C)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K10 compound treatment 0.0304 0.0313 0.88 0.66 0.00252 0.08 0.0142977470558112 0.0150645161290323 0.456400298121008 0.8181 0.8233 3615685 ACon1_001808 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)/C=C\c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K11 compound treatment 0.0334 0.0344 0.96 0.662 0.00452 0.15 0.0272977470558112 0.0280645161290323 0.850253232045559 1.1318 0.8751 3558491 ACon1_001809 COc1cc(ccc1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K12 compound treatment 0.0314 0.0324 0.91 0.677 0.0195 0.63 0.00729774705581117 0.00806451612903227 0.244325641392402 1.0307 0.9094 3615689 ACon1_001810 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K13 compound treatment -0.3965 -0.396 -11.09 0.565 -0.0925 -3.0 0.0132977470558112 0.0140645161290323 0.42610391858835 -7.8898 -0.6862 3557476 ACon1_001811 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c4oc(cc(=O)c4c2O)c5ccc(O)cc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K14 compound treatment 0.0144 0.0153 0.43 0.648 -0.00948 -0.31 0.0132977470558112 0.0140645161290323 0.42610391858835 0.3167 0.4663 3615693 ACon1_001812 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K15 mock treatment 0.0384 0.0394 1.1 0.691 0.0335 1.09 0.0232977470558112 0.0240645161290323 0.729067713914928 1.6863 0.9846 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K16 mock treatment 0.0334 0.0344 0.96 0.682 0.0245 0.8 0.0182977470558112 0.0190645161290323 0.577585816251639 1.3491 0.98 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K17 compound treatment 0.0134 0.0143 0.4 0.643 -0.0145 -0.47 0.00229774705581116 0.00306451612903226 0.0928437437291126 0.0144 0.0231 3615697 ACon1_001813 CC(=CCc1cc(CC(N)C(=O)O)ccc1O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K18 compound treatment 0.0354 0.0364 1.02 0.668 0.0105 0.34 2.9774705581115E-4 0.00106451612903225 0.0322509846637967 0.8043 0.7477 3615699 ACon1_001814 Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K19 compound treatment 0.0304 0.0314 0.88 0.667 0.00952 0.31 2.9774705581115E-4 0.00106451612903225 0.0322509846637967 0.7047 0.7556 1012497 ACon1_001815 NC(Cc1c[nH]c2ccccc12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K20 compound treatment 0.0124 0.0133 0.37 0.692 0.0345 1.12 0.00629774705581117 0.00706451612903227 0.214029261859744 0.9864 0.8218 3558198 ACon1_001816 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K21 compound treatment 0.0164 0.0173 0.49 0.659 0.00152 0.05 -0.00470225294418881 -0.00393548387096771 -0.119230912999491 0.2404 0.4777 3615703 ACon1_001817 COC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)c(O)c2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K22 compound treatment 0.0274 0.0284 0.8 0.694 0.0365 1.19 0.0152977470558112 0.0160645161290323 0.486696677653665 1.4244 0.9446 3615705 ACon1_001818 C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K23 mock treatment 0.0264 0.0274 0.77 0.683 0.0255 0.83 0.0112977470558111 0.0120645161290322 0.365511159523031 1.1321 0.9541 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 K24 mock treatment 0.0134 0.0144 0.4 0.675 0.0175 0.57 0.0132977470558112 0.0140645161290323 0.42610391858835 0.8066 0.9878 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L01 compound treatment -0.0336 -0.0326 -0.91 0.648 -0.00948 -0.31 -0.00670225294418881 -0.00593548387096771 -0.179823672064807 -0.8096 -0.8247 3557532 ACon1_001819 C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](C[C@@]1(C)O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L02 compound treatment -0.0146 -0.0136 -0.38 0.61 -0.0475 -1.54 -0.0207022529441889 -0.0199354838709678 -0.603972985522019 -1.4591 -0.8589 3615710 ACon1_001820 COc1c(O)c2c(=O)c(O)c(oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L03 compound treatment -0.0066 -0.00563 -0.16 0.623 -0.0345 -1.12 0.00529774705581115 0.00606451612903225 0.183732882327086 -0.6313 -0.5513 3615714 ACon1_001821 COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc3ccccc3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L04 compound treatment -0.0046 -0.00363 -0.1 0.636 -0.0215 -0.7 -0.00370225294418881 -0.00293548387096771 -0.0889345334668334 -0.5127 -0.7219 3615716 ACon1_001822 C[C@@]1([C@H](O)CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@@H]3CC[C@@]12O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L05 compound treatment -0.0166 -0.0156 -0.44 0.652 -0.00548 -0.18 0.00129774705581115 0.00206451612903225 0.0625473641964545 -0.3195 -0.67 3615720 ACon1_001823 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)C=C3CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L06 compound treatment 0.0164 0.0174 0.49 0.662 0.00452 0.15 -0.00170225294418884 -9.35483870967743E-4 -0.0283417744015186 0.3492 0.6861 3557431 ACon1_001824 CC(C)CCCCCCCCC/C=C/C(=O)NC1C(O)C(O)C(CC(O)C2OC(C(O)C2O)n3ccc(=O)[nH]c3=O)OC1OC4OC(CO)C(O)C(O)C4NC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L07 mock treatment -0.0196 -0.0186 -0.52 0.65 -0.00748 -0.24 -0.0137022529441889 -0.0129354838709678 -0.391898328793414 -0.6679 -0.9589 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L08 mock treatment 0.0084 0.00936 0.26 0.645 -0.0125 -0.41 -0.0127022529441889 -0.0119354838709678 -0.361601949260756 -0.2912 -0.4829 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L09 compound treatment 0.0204 0.0214 0.6 0.673 0.0155 0.5 0.00729774705581115 0.00806451612903225 0.244325641392401 0.7778 0.9485 3615722 ACon1_001825 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C5(C)C(O)(CCC54O)C(=O)C)C2)OC(C)C1OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L10 compound treatment -0.0346 -0.0336 -0.94 0.638 -0.0195 -0.63 0.00729774705581115 0.00806451612903225 0.244325641392401 -0.7683 -0.6617 3559811 ACon1_001826 C[C@H]1O[C@H](C[C@H](OC(=O)C)[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)OC4CC(O)C5(C)C(CC[C@@H]6[C@@H]5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L11 compound treatment 0.0304 0.0314 0.88 0.683 0.0255 0.83 0.0222977470558112 0.0230645161290323 0.69877133438227 1.389 0.9956 3615725 ACon1_001827 COC(=O)C(NC(=O)c1cccc(NC=O)c1O)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L12 compound treatment 0.0144 0.0153 0.43 0.652 -0.00548 -0.18 0.00529774705581116 0.00606451612903226 0.183732882327086 0.2517 0.5029 3615727 ACon1_001828 Cc1cc2C(=O)OC(c2c(O)c1)c3c(O)cccc3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L13 compound treatment 0.0354 0.0364 1.02 0.654 -0.00348 -0.11 0.0132977470558112 0.0140645161290323 0.42610391858835 0.7694 0.6926 3557341 ACon1_001829 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)O[C@@]91CC[C@@](C)(CO)O9 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L14 compound treatment 0.0014 0.00237 0.07 0.66 0.00252 0.08 0.00529774705581117 0.00606451612903227 0.183732882327086 0.1915 0.9046 3615729 ACon1_001830 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OCC(OC5C(O)C(O[C@H]6CC[C@]7(C)C8CC(OC(=O)c9ccccc9)[C@]%10(C)[C@@](O)(CC[C@]%10(O)[C@]8(O)CC=C7C6)C(=O)C)OC(CO)C5OC%11OC(CO)C(O)C(O)C%11O)C4OC)OC(C)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L15 mock treatment 0.0294 0.0304 0.85 0.653 -0.00448 -0.15 0.00729774705581115 0.00806451612903225 0.244325641392401 0.5486 0.6112 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L16 mock treatment 0.0084 0.00935 0.26 0.662 0.00452 0.15 0.00529774705581116 0.00606451612903226 0.183732882327086 0.342 0.9715 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L17 compound treatment 0.0274 0.0284 0.8 0.685 0.0275 0.89 0.0182977470558112 0.0190645161290323 0.577585816251639 1.3082 0.9851 3559248 ACon1_001831 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L18 compound treatment 0.0174 0.0183 0.51 0.651 -0.00648 -0.21 -0.0137022529441889 -0.0129354838709678 -0.391898328793414 -0.0508 -0.0747 3615734 ACon1_001832 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)c6cc(O)c(O)c(O)c6)C5[C@H](O)C[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L19 compound treatment 0.0154 0.0164 0.46 0.675 0.0175 0.57 0.00629774705581116 0.00706451612903226 0.214029261859744 0.7169 0.9415 3615738 ACon1_001833 C/C(=C\CC(C)(C)CCC(=O)c1ccoc1)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L20 compound treatment 0.0134 0.0143 0.4 0.651 -0.00648 -0.21 0.00729774705581115 0.00806451612903225 0.244325641392401 0.2518 0.4884 3615742 ACon1_001834 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)c5ccccc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L21 compound treatment 0.0104 0.0113 0.32 0.666 0.00852 0.28 0.00629774705581116 0.00706451612903226 0.214029261859744 0.4668 0.9876 3559153 ACon1_001835 CC/C=C\C[C@H]1[C@@H](CCCCCCCC(=O)O)C=CC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L22 compound treatment -0.0096 -0.00864 -0.24 0.634 -0.0235 -0.76 -0.00470225294418884 -0.00393548387096774 -0.119230912999492 -0.6488 -0.8024 3615746 ACon1_001836 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L23 mock treatment 0.0184 0.0194 0.54 0.677 0.0195 0.63 0.0142977470558112 0.0150645161290323 0.456400298121008 0.9428 0.9913 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 L24 mock treatment 0.0294 0.0304 0.85 0.662 0.00452 0.15 0.0102977470558112 0.0110645161290323 0.335214779990376 0.7699 0.8306 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M01 compound treatment 0.0114 0.0123 0.35 0.658 5.16E-4 0.02 -0.0157022529441888 -0.0149354838709677 -0.452491087858727 -0.0517 -0.0907 3615749 ACon1_001837 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)N4C\C5=C\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M02 compound treatment -0.0066 -0.00562 -0.16 0.638 -0.0195 -0.63 -0.0087022529441889 -0.0079354838709678 -0.240416431130125 -0.5949 -0.8564 3615752 ACon1_001838 C[C@@H]1O[C@@H](OC(=O)[C@@]23CCC(C)(C)CC3C4=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M03 compound treatment 0.0014 0.00236 0.07 0.651 -0.00648 -0.21 0.00729774705581115 0.00806451612903225 0.244325641392401 0.0577 0.1754 3557747 ACon1_001839 C/C(=C\C(=O)O)/CCC1C(C)(O)CCC2C(C)(CO)CCCC12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M04 compound treatment 0.0064 0.00737 0.21 0.623 -0.0345 -1.12 -0.0127022529441889 -0.0119354838709678 -0.361601949260756 -0.7357 -0.6161 3615755 ACon1_001840 CCC(C)CCC(O)C1CC(CO)OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M05 compound treatment -0.0056 -0.00464 -0.13 0.657 -4.84E-4 -0.02 -0.00570225294418884 -0.00493548387096774 -0.14952729253215 -0.1706 -0.8576 3554765 ACon1_001841 COc1c(O)c2c(CCC3C(C)(C)[C@@H]4CC[C@@]32C(=O)O4)cc1C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M06 compound treatment -0.0076 -0.00664 -0.19 0.649 -0.00848 -0.28 0.00429774705581116 0.00506451612903226 0.153436502794428 -0.1779 -0.4858 3615758 ACon1_001842 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M07 compound treatment 0.0194 0.0203 0.57 0.658 5.16E-4 0.02 0.0122977470558112 0.0130645161290323 0.395807539055692 0.5675 0.8172 812 ACon1_001843 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M08 compound treatment -0.0116 -0.0106 -0.3 0.65 -0.00748 -0.24 -0.0107022529441888 -0.0099354838709677 -0.301009190195438 -0.4863 -0.9955 3615763 ACon1_001844 CCCCCC/C=C\[N+](=N[C@@H](COC)[C@H](C)O)[O-] 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M09 mock treatment -0.0036 -0.00264 -0.07 0.653 -0.00448 -0.15 -0.00670225294418884 -0.00593548387096774 -0.179823672064808 -0.2306 -0.9493 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M10 mock treatment -0.0156 -0.0146 -0.41 0.63 -0.0275 -0.89 -0.0267022529441889 -0.0259354838709678 -0.785751262717966 -1.2055 -0.9586 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M11 compound treatment 0.0194 0.0204 0.57 0.666 0.00852 0.28 -0.0157022529441889 -0.0149354838709678 -0.45249108785873 0.2277 0.2924 3615766 ACon1_001845 CCC/C=C/C=C/C1CC(O)C(O)C1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M12 compound treatment 0.0074 0.00835 0.23 0.648 -0.00948 -0.31 -0.0117022529441889 -0.0109354838709678 -0.331305569728099 -0.2339 -0.4593 3615770 ACon1_001846 CC1CC(=O)CC(C)(C)C1(O)/C=C/C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M13 mock treatment -0.0046 -0.00364 -0.1 0.65 -0.00748 -0.24 -0.0127022529441888 -0.0119354838709677 -0.361601949260753 -0.408 -0.9118 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M14 mock treatment -6.0E-4 3.67E-4 0.01 0.645 -0.0125 -0.41 -0.0107022529441888 -0.0099354838709677 -0.301009190195438 -0.4018 -0.7958 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M15 compound treatment -0.4885 -0.488 -13.67 0.616 -0.0415 -1.35 -0.0327022529441889 -0.0319354838709678 -0.967529539913913 -9.2277 -0.6702 3615774 ACon1_001847 OC1Cc2c(OC1c3ccc(O)c(O)c3)cc(O)c4C(CC(Oc24)c5ccc(O)c(O)c5)c6ccc(O)c(O)c6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M16 compound treatment -0.0016 -6.33E-4 -0.02 0.632 -0.0255 -0.83 -0.0217022529441889 -0.0209354838709678 -0.634269365054677 -0.854 -0.8192 3615776 ACon1_001848 COc1cc(CCC(O)CC(=O)CCc2ccc(O)cc2)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M17 compound treatment 0.0084 0.00935 0.26 0.658 5.16E-4 0.02 0.00929774705581116 0.0100645161290323 0.304918400457717 0.337 0.8375 3615778 ACon1_001849 COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M18 compound treatment -0.0056 -0.00463 -0.13 0.668 0.0105 0.34 -0.0127022529441888 -0.0119354838709677 -0.361601949260753 -0.0867 -0.1687 3615780 ACon1_001850 CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CC1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M19 compound treatment 0.0194 0.0204 0.57 0.677 0.0195 0.63 0.00629774705581115 0.00706451612903225 0.214029261859744 0.8191 0.9314 3615782 ACon1_001851 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)c5ccccc5NC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M20 compound treatment -0.0346 -0.0336 -0.94 0.661 0.00352 0.11 -0.0147022529441889 -0.0139354838709678 -0.422194708326072 -0.7221 -0.6949 3615785 ACon1_001852 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)CC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M21 compound treatment -0.0056 -0.00463 -0.13 0.652 -0.00548 -0.18 0.0022977470558112 0.0030645161290323 0.0928437437291138 -0.1242 -0.5192 3615790 ACon1_001853 CC1C[C@]2(CC3C(C)(C)[C@@]4(C[C@]53CN2C1=O)C(=O)Nc6c4ccc7OC(C)(C)CC(=O)c67)C(=O)N5C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M22 compound treatment 0.0024 0.00337 0.09 0.665 0.00752 0.24 -0.0027022529441889 -0.0019354838709678 -0.0586381539341783 0.1615 0.6024 3557357 ACon1_001854 CC(C)[C@@H](OC(=O)C)c1nc2ccccc2c(=O)n1[C@@H]3C[C@]4(OC3=O)[C@H]5N(O)[C@@H](C)C(=O)N5c6ccccc64 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M23 compound treatment 0.0044 0.00535 0.15 0.654 -0.00348 -0.11 -0.00770225294418891 -0.00693548387096781 -0.210120051597468 -0.1 -0.355 3559013 ACon1_001855 Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2c4c(O)cc(O)c5c(=O)cc(oc45)c6ccc(O)cc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 M24 compound treatment -0.0086 -0.00763 -0.21 0.643 -0.0145 -0.47 -0.0167022529441889 -0.0159354838709678 -0.482787467391388 -0.6737 -0.9529 3559205 ACon1_001856 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@@H](OC[C@H]23)c4cc(OC)c(OC)c(OC)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N01 compound treatment -0.0226 -0.0216 -0.61 0.63 -0.0275 -0.89 -0.0177022529441888 -0.0169354838709677 -0.513083846924043 -1.1612 -0.9723 3615795 ACon1_001857 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C5(C)C(O)(CCC54O)C(C)O)C2)OC(C)C1OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N02 compound treatment -0.0426 -0.0416 -1.17 0.616 -0.0415 -1.35 -0.0267022529441889 -0.0259354838709678 -0.785751262717966 -1.9049 -0.9781 3615797 ACon1_001858 C[C@@H]1OC(=O)[C@]2(C(=C)[C@@]3(C)OC(=O)[C@@]12O)C4(C)CC[C@]5(C=CC(=O)OC5(C)C)C(=C4[C@H]3OC(=O)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N03 compound treatment -0.0116 -0.0106 -0.3 0.617 -0.0405 -1.31 -0.0247022529441889 -0.0239354838709678 -0.72515850365265 -1.3492 -0.8818 3615800 ACon1_001859 C/C=C/C1C2OC3=C(C(=O)OC3(C)O)C(=O)C1(C)C4CC(O)C(C)CC4C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N04 compound treatment -0.0276 -0.0266 -0.75 0.63 -0.0275 -0.89 -0.0127022529441889 -0.0119354838709678 -0.361601949260756 -1.1547 -0.948 3615805 ACon1_001860 COc1cc(ccc1O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc3ccc(/C=C/CO)cc3OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N05 compound treatment -0.0296 -0.0286 -0.8 0.614 -0.0435 -1.41 -0.0297022529441889 -0.0289354838709678 -0.876640401315939 -1.7844 -0.9671 3615808 ACon1_001861 C/C(=C\Cc1c(O)ccc2ccc(=O)oc12)/CO[C@@H]3O[C@H](COC(=O)CC(=O)OC[C@H]4O[C@@H](OC(C)(C)C5Cc6cc7cc(O)c(=O)oc7cc6O5)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N06 compound treatment -0.0236 -0.0226 -0.63 0.658 5.16E-4 0.02 -0.0167022529441889 -0.0159354838709678 -0.482787467391388 -0.6353 -0.7968 3557396 ACon1_001862 COC(=O)c1cc(C)cc(OC)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N07 compound treatment -0.0216 -0.0206 -0.58 0.615 -0.0425 -1.38 -0.0267022529441889 -0.0259354838709678 -0.785751262717966 -1.5837 -0.9376 3615812 ACon1_001863 COc1cc-2c(CCc3cc(O)c(O)cc32)c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N08 compound treatment -0.0386 -0.0376 -1.05 0.618 -0.0395 -1.28 -0.0127022529441888 -0.0119354838709677 -0.361601949260753 -1.5576 -0.917 3557452 ACon1_001864 C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@]1(O)C(=O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N09 mock treatment -0.0326 -0.0316 -0.89 0.486 -0.171 -5.57 -0.0317022529441889 -0.0309354838709678 -0.937233160381255 -4.2664 -0.7468 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N10 mock treatment -0.0036 -0.00262 -0.07 0.668 0.0105 0.34 -0.0217022529441889 -0.0209354838709678 -0.634269365054677 -0.2116 -0.2923 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N11 compound treatment -0.0146 -0.0136 -0.38 0.636 -0.0215 -0.7 -0.0297022529441889 -0.0289354838709678 -0.876640401315939 -1.1294 -0.9542 3615814 ACon1_001865 CC1CC(=O)C2=C(CCC34OC42C(=O)c5cccc(O)c5C3O)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N12 compound treatment -6.0E-4 3.57E-4 0.01 0.655 -0.00248 -0.08 -0.0197022529441889 -0.0189354838709678 -0.573676605989361 -0.372 -0.642 3554299 ACon1_001866 CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N13 mock treatment 0.0124 0.0134 0.37 0.288 -0.369 -11.99 -0.0177022529441889 -0.0169354838709678 -0.513083846924046 -7.0033 -0.5832 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N14 mock treatment -0.0346 -0.0336 -0.94 0.628 -0.0295 -0.96 -0.0377022529441889 -0.0369354838709678 -1.1190114375772 -1.7429 -0.9969 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N15 compound treatment -0.0156 -0.0146 -0.41 0.668 0.0105 0.34 -0.00170225294418886 -9.35483870967763E-4 -0.0283417744015192 -0.0562 -0.1051 2121 ACon1_001867 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N16 compound treatment -0.0036 -0.00264 -0.07 0.646 -0.0115 -0.37 -0.0187022529441889 -0.0179354838709678 -0.543380226456703 -0.5717 -0.8622 3615816 ACon1_001868 CC(C1CC(O)C(C)(C)O1)C2CC[C@@]3(C)C4CC[C@H]5C(C)C(CC[C@]65C[C@@]46CC[C@]23C)OC7OC(COC(=O)C)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(C)C(O)C(O)C%10O)C8O)C(OC(=O)C)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N17 compound treatment -0.0016 -6.33E-4 -0.02 0.634 -0.0235 -0.76 -0.0287022529441889 -0.0279354838709678 -0.846344021783282 -0.9389 -0.8243 3615822 ACon1_001869 CC12CC(OC(=O)C2CCC3(C)C1C4OC(=O)C3(O)C5OC54)c6ccoc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N18 compound treatment -0.0106 -0.00962 -0.27 0.618 -0.0395 -1.28 -0.0217022529441888 -0.0209354838709677 -0.634269365054674 -1.2618 -0.8672 3615824 ACon1_001870 C/C(=C\Cc1c(O)cc2oc(C)cc(=O)c2c1O)/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N19 compound treatment -0.0066 -0.00562 -0.16 0.661 0.00352 0.11 -0.0197022529441889 -0.0189354838709678 -0.573676605989361 -0.3564 -0.5882 3615829 ACon1_001871 COCC1OC(OC(C)(C)C2CCC3(C)C4CC/C(=C\5/CCC(O)C(C)(CCC(O)C(C)(C)O)C5)/C4(C)CC(O)C3O2)C(NC(=O)C)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N20 compound treatment 0.0084 0.00935 0.26 0.653 -0.00448 -0.15 -0.0167022529441888 -0.0159354838709677 -0.482787467391385 -0.2115 -0.3721 3615833 ACon1_001872 CCCCCC1CC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N21 compound treatment 0.0184 0.0193 0.54 0.665 0.00752 0.24 -0.0317022529441889 -0.0309354838709678 -0.937233160381255 -0.0871 -0.0785 3554654 ACon1_001873 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@H](O)C5[C@@](C)(C=CC(=O)[C@]15C)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N22 compound treatment 4.0E-4 0.00137 0.04 0.61 -0.0475 -1.54 -0.0167022529441889 -0.0159354838709678 -0.482787467391388 -1.1463 -0.7096 3558591 ACon1_001874 CC(=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N23 compound treatment -0.0026 -0.00164 -0.05 0.656 -0.00148 -0.05 -0.0167022529441889 -0.0159354838709678 -0.482787467391388 -0.3331 -0.6836 3615837 ACon1_001875 C[C@@H]1CCC2C(C)(C)[C@@H](CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 N24 compound treatment 0.0034 0.00436 0.12 0.659 0.00152 0.05 -0.00570225294418881 -0.00493548387096771 -0.149527292532149 0.0126 0.0633 3615844 ACon1_001876 COC(=O)C12C(O)C34CC2N5C/C(=C/C)/C1CC5C4N(C)c6ccccc63 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O01 compound treatment 0.0104 0.0113 0.32 0.666 0.00852 0.28 0.00629774705581115 0.00706451612903225 0.214029261859744 0.4668 0.9876 3615850 ACon1_001877 COc1cc2CCNC3Cc4ccccc4-c(c1OC)c32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O02 compound treatment 0.0034 0.00435 0.12 0.655 -0.00248 -0.08 -0.00370225294418881 -0.00293548387096771 -0.0889345334668334 -0.0275 -0.1609 3615852 ACon1_001878 C[C@@H]1O[C@@H](OC2C(O)C(O)C(CO)OC2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)C(O)C(O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)[C@H](O)[C@H](O)[C@H]1OC9OCC(O)C(O)C9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O03 compound treatment 0.0124 0.0134 0.37 0.647 -0.0105 -0.34 -0.00670225294418881 -0.00593548387096771 -0.179823672064807 -0.0842 -0.1568 3552644 ACon1_001879 C[C@@H]1C[C@]2(O[C@H](O)[C@@]3(C)O[C@H]32)O[C@H]4C[C@@]5(C)[C@@H]6CC[C@@H]7[C@]8(C[C@@]68C[C@@H](OC(=O)C)[C@]5(C)[C@H]41)CC[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C7(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O04 compound treatment 0.0144 0.0153 0.43 0.655 -0.00248 -0.08 -0.00270225294418886 -0.00193548387096776 -0.0586381539341771 0.168 0.3804 3615859 ACon1_001880 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O05 compound treatment -0.0166 -0.0157 -0.44 0.647 -0.0105 -0.34 -0.00670225294418891 -0.00593548387096781 -0.17982367206481 -0.5536 -0.9485 3558011 ACon1_001881 CC(=O)OC[C@]1(C)CC2[C@]3(CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3OC%10OCC(OC%11OC(CO)C(O)C(O)C%11O)C(O)C%10O)[C@@H](O)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O06 compound treatment 0.0064 0.00735 0.21 0.662 0.00452 0.15 -0.00270225294418881 -0.00193548387096771 -0.0586381539341755 0.1697 0.6539 3615865 ACon1_001882 CC1C2CC3(CC(O)C4C(C)(CCCC4(C)C3(O)CC2)C(=O)OC5OC(CO)C(O)C(O)C5O)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O07 compound treatment -0.2955 -0.295 -8.26 0.654 -0.00348 -0.11 0.0112977470558111 0.0120645161290322 0.365511159523031 -4.6219 -0.5591 3554487 ACon1_001883 CN1C(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O08 compound treatment 0.0194 0.0203 0.57 0.652 -0.00548 -0.18 -0.0107022529441889 -0.0099354838709678 -0.301009190195441 0.0528 0.0789 3615867 ACon1_001884 CC(=O)O[C@@H]1C[C@@]2(CO2)[C@](O)(CCc3ccoc3)[C@]4(CCC[C@@]5(C)C14)COC5=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O09 compound treatment 0.0114 0.0124 0.35 0.675 0.0175 0.57 0.00529774705581115 0.00606451612903225 0.183732882327086 0.6342 0.9184 3615872 ACon1_001885 COC(=O)c1cccc(OC(C)C(=O)O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O10 compound treatment 4.0E-4 0.00137 0.04 0.639 -0.0185 -0.6 -0.0107022529441889 -0.0099354838709678 -0.301009190195441 -0.498 -0.7408 3615878 ACon1_001886 CC1C(C)c2cccnc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O11 mock treatment -0.0016 -6.33E-4 -0.02 0.658 5.16E-4 0.02 -0.00770225294418891 -0.00693548387096781 -0.210120051597468 -0.1219 -0.5762 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O12 mock treatment 0.0124 0.0133 0.37 0.643 -0.0145 -0.47 -0.0187022529441889 -0.0179354838709678 -0.543380226456703 -0.3691 -0.4556 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O13 compound treatment 0.0044 0.00536 0.15 0.668 0.0105 0.34 0.00329774705581117 0.00406451612903227 0.123140123261771 0.3549 0.9037 3615884 ACon1_001887 CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O14 compound treatment 0.0014 0.00237 0.07 0.671 0.0135 0.44 -0.00270225294418884 -0.00193548387096774 -0.0586381539341765 0.2577 0.5759 3615887 ACon1_001888 CC(C)(O)C(O)Cc1cc(O)ccc1OC2OC(CO)C(O)C(O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O15 compound treatment 0.0234 0.0243 0.68 0.662 0.00452 0.15 2.977470558112E-4 0.0010645161290323 0.0322509846637982 0.4973 0.7116 3558264 ACon1_001889 O[C@@H]1C[C@](C[C@@H](O)[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)(OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O16 compound treatment 0.0044 0.00536 0.15 0.669 0.0115 0.37 2.9774705581115E-4 0.00106451612903225 0.0322509846637967 0.3211 0.7947 3615891 ACon1_001890 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)C1(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O17 compound treatment 0.0024 0.00335 0.09 0.671 0.0135 0.44 2.9774705581114E-4 0.00106451612903224 0.0322509846637964 0.3261 0.725 3615895 ACon1_001891 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O18 compound treatment -0.0086 -0.00762 -0.21 0.637 -0.0205 -0.66 -0.0307022529441889 -0.0299354838709678 -0.906936780848597 -1.0308 -0.9006 3615900 ACon1_001892 COC(=O)c1cc2cc(O)c(c(O)c2c(=O)o1)c3c(O)cc4cc(oc(=O)c4c3O)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O19 compound treatment 0.0014 0.00237 0.07 0.653 -0.00448 -0.15 -0.0067022529441889 -0.0059354838709678 -0.17982367206481 -0.1495 -0.6213 3615903 ACon1_001893 CC(=O)NC(CSC(CO)CCCCCCCCCC(=O)O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O20 compound treatment -0.0036 -0.00263 -0.07 0.642 -0.0155 -0.5 -0.00970225294418891 -0.00893548387096781 -0.270712810662783 -0.4891 -0.8497 3559173 ACon1_001894 COc1cc(OC)c(cc1OC)C(O)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O21 compound treatment 0.0094 0.0103 0.29 0.661 0.00352 0.11 -0.00970225294418891 -0.00893548387096781 -0.270712810662783 0.0771 0.1867 3615908 ACon1_001895 Cn/1c(=O)\c(=C\c2ccccc2)\n(C)c(=O)\c1=C\c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O22 compound treatment 0.0104 0.0113 0.32 0.64 -0.0175 -0.57 -0.0017022529441889 -9.35483870967803E-4 -0.0283417744015205 -0.1603 -0.2462 3559164 ACon1_001896 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O23 compound treatment -0.0016 -6.43E-4 -0.02 0.655 -0.00248 -0.08 -0.0117022529441889 -0.0109354838709678 -0.331305569728099 -0.2482 -0.727 3615916 ACon1_001897 CCC/C=C/C=C/C1CC(O)C(O)C(O)C1CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 O24 compound treatment -0.0046 -0.00363 -0.1 0.643 -0.0145 -0.47 -0.0197022529441889 -0.0189354838709678 -0.573676605989361 -0.6614 -0.8835 3557540 ACon1_001898 COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P01 compound treatment -0.0066 -0.00563 -0.16 0.656 -0.00148 -0.05 -7.02252944188859E-4 6.45161290322379E-5 0.0019546051311386 -0.1179 -0.7138 3615923 ACon1_001899 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C(O)C1O)[C@H]2CC(O)[C@@]3(C)C4CC[C@@H]5[C@]6(C[C@@]46CC(O)[C@]23C)CC[C@H](O[C@@H]7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C5(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P02 compound treatment 0.0044 0.00536 0.15 0.625 -0.0325 -1.05 2.9774705581115E-4 0.00106451612903225 0.0322509846637967 -0.5033 -0.4725 3615928 ACon1_001900 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P03 compound treatment -0.0036 -0.00263 -0.07 0.67 0.0125 0.41 0.0122977470558111 0.0130645161290322 0.395807539055689 0.4204 0.7351 3615934 ACon1_001901 CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(=O)O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)[C@H](OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P04 compound treatment 0.0024 0.00337 0.09 0.648 -0.00948 -0.31 -0.00570225294418881 -0.00493548387096771 -0.149527292532149 -0.2095 -0.5903 3615941 ACon1_001902 CCC(C)CCCCCCCCC1CC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P05 compound treatment -0.0026 -0.00164 -0.05 0.62 -0.0375 -1.22 -0.0117022529441889 -0.0109354838709678 -0.331305569728099 -0.9202 -0.7294 3615944 ACon1_001903 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C(OC)C8O)C(C)O7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P06 compound treatment 0.0414 0.0423 1.19 0.672 0.0145 0.47 0.0122977470558111 0.0130645161290322 0.395807539055689 1.186 0.8869 3553131 ACon1_001904 C[C@H]1CC[C@@H]2[C@H]([C@@H](C)C=C[C@H]2C1)C(=O)c3c(O)c(cn(O)c3=O)[C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P07 compound treatment -0.0106 -0.00963 -0.27 0.653 -0.00448 -0.15 -0.0067022529441889 -0.0059354838709678 -0.17982367206481 -0.3438 -0.9667 3615949 ACon1_001905 COC1OC(OC)C(O)(CC[C@@]2(O)[C@H](C)C[C@@H](O)C3[C@@](C)(CO)CCC[C@]32C)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P08 compound treatment 4.0E-4 0.00136 0.04 0.662 0.00452 0.15 -0.00870225294418884 -0.00793548387096774 -0.240416431130123 -0.0322 -0.1134 3557451 ACon1_001906 C[C@@]12C[C@H](O)C3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1C(=O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P09 compound treatment 0.0074 0.00835 0.23 0.655 -0.00248 -0.08 -0.0137022529441889 -0.0129354838709678 -0.391898328793414 -0.1377 -0.2971 3615955 ACon1_001907 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P10 compound treatment -6.0E-4 3.67E-4 0.01 0.644 -0.0135 -0.44 -0.0147022529441889 -0.0139354838709678 -0.422194708326072 -0.4905 -0.8065 3559822 ACon1_001908 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CCC54C)C(=O)OC7OC(CO)C(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(OC%10OCC(O)C(O)C%10O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC%11OCC(O)C(O)C%11O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P11 mock treatment -0.0116 -0.0106 -0.3 0.632 -0.0255 -0.83 -0.0287022529441889 -0.0279354838709678 -0.846344021783282 -1.1383 -0.9327 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P12 mock treatment -0.0066 -0.00563 -0.16 0.584 -0.0735 -2.38 -0.0117022529441889 -0.0109354838709678 -0.331305569728099 -1.6594 -0.6877 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P13 compound treatment 0.0084 0.00935 0.26 0.629 -0.0285 -0.92 -0.0187022529441889 -0.0179354838709678 -0.543380226456703 -0.6961 -0.6306 3615961 ACon1_001909 COc1ccc(cc1O)C(C)C(=O)c2ccc(O)cc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P14 compound treatment 0.0184 0.0193 0.54 0.656 -0.00148 -0.05 -0.00770225294418881 -0.00693548387096771 -0.210120051597465 0.1641 0.2811 3615963 ACon1_001910 OCC(=C)C(=O)O[C@H]1C[C@]23O[C@@H]3CC/C(=C/[C@H]4OC(=O)C(=C)[C@@H]41)/CO[C@@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P15 compound treatment 0.0024 0.00337 0.09 0.661 0.00352 0.11 2.9774705581115E-4 0.00106451612903225 0.0322509846637967 0.139 0.9171 3559257 ACon1_001911 OC1(OCC2C(OCC21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P16 compound treatment 0.0024 0.00337 0.09 0.649 -0.00848 -0.28 -0.0147022529441889 -0.0139354838709678 -0.422194708326072 -0.3482 -0.6791 3615970 ACon1_001912 CC1(C)C(CCC2(C)C3CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C=C)C=C3CCC12)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P17 compound treatment 0.0014 0.00237 0.07 0.637 -0.0205 -0.66 -0.0247022529441889 -0.0239354838709678 -0.72515850365265 -0.7642 -0.775 2116652 ACon1_001913 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)cc2)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P18 compound treatment -0.0026 -0.00163 -0.05 0.667 0.00952 0.31 0.00529774705581116 0.00606451612903226 0.183732882327086 0.258 0.712 3615976 ACon1_001914 CC1OC(CC(O)C1O)c2cc3oc(cc(=O)c3c(O)c2O)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P19 compound treatment -0.0096 -0.00862 -0.24 0.659 0.00152 0.05 -0.00270225294418881 -0.00193548387096771 -0.0586381539341755 -0.145 -0.5719 3615980 ACon1_001915 CCC(C)C(OC1OC(C)C(O)C(O)C1O)C(C)C(=O)C(C)/C=C(\C)/CC(C)C(O)C(C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P20 compound treatment 0.0034 0.00437 0.12 0.661 0.00352 0.11 -0.00170225294418886 -9.35483870967763E-4 -0.0283417744015192 0.1202 0.7081 3615986 ACon1_001916 C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)CC[C@@]8(C(O)C[C@]76C)C(=O)OC9OCC(O)C(O)C9O)C4(C)C)O[C@@H]3COC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P21 compound treatment 0.0054 0.00637 0.18 0.669 0.0115 0.37 0.00429774705581115 0.00506451612903225 0.153436502794428 0.4074 0.9224 3615991 ACon1_001917 C/C=C/c1ccc(O)cc1C(=O)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P22 compound treatment 4.0E-4 0.00137 0.04 0.63 -0.0275 -0.89 -0.00370225294418891 -0.00293548387096781 -0.0889345334668364 -0.5442 -0.6065 3615996 ACon1_001918 CC1=C2CC(CCC2(C)CCC1=O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P23 compound treatment -0.0106 -0.00963 -0.27 0.646 -0.0115 -0.37 0.0012977470558111 0.0020645161290322 0.062547364196453 -0.335 -0.7212 3559104 ACon1_001919 COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H](C3=C)[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2295 P24 compound treatment 0.0264 0.0274 0.77 0.657 -4.84E-4 -0.02 -0.00970225294418891 -0.00893548387096781 -0.270712810662783 0.2778 0.3412 3558533 ACon1_001920 OC[C@H]1O[C@@H](OC2OC=C3[C@@H](C[C@H]4N(CCc5c4[nH]c6ccccc56)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A01 compound treatment 0.011 0.011 0.31 0.697 0.0292 0.95 0.010326884920635 0.0109375 0.331366651138445 0.9158 0.8728 3616000 ACon1_001921 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5cc(OC)ccc45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A02 compound treatment 0.015 0.015 0.42 0.698 0.0302 0.98 0.021326884920635 0.0219375 0.664626825997681 1.1914 0.9488 3616002 ACon1_001922 C/C(=C\CC(C)(C)\C=C\Cc1ccoc1)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A03 compound treatment 0.029 0.029 0.81 0.672 0.00417 0.14 0.024326884920635 0.0249375 0.755515964595654 0.9833 0.8799 3553562 ACon1_001923 CC(C)C1C(O)C2C(CCC(=O)C)C2(C)CC1OC(=O)/C=C/c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A04 compound treatment 0.015 0.015 0.42 0.671 0.00317 0.1 0.010326884920635 0.0109375 0.331366651138445 0.4934 0.9053 3616008 ACon1_001924 C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CO)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A05 compound treatment 0.014 0.014 0.39 0.687 0.0192 0.62 0.020326884920635 0.0209375 0.634330446465023 0.9516 0.98 3554100 ACon1_001925 CCC(=O)OC1C(C)CC2(OC(=O)C)C1C(OC(=O)C)C3(CO3)CCC4C(/C=C(\C)/C2=O)C4(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A06 compound treatment 0.02 0.02 0.56 0.679 0.0112 0.36 0.010326884920635 0.0109375 0.331366651138445 0.7247 0.9716 3616012 ACon1_001926 COc1c(C2OCC(O)C(O)C2O)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(C)C(O)C(O)C5O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A07 compound treatment 0.036 0.036 1.01 0.672 0.00417 0.14 0.034326884920635 0.0349375 1.05847975992223 1.2715 0.866 3616015 ACon1_001927 CCC/C=C/C(=O)O[C@H]1CC(C)(C)CC2[C@]34CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]7O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)C(=O)O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)C[C@@H](OC(=O)C)[C@]21[C@H](O)O3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A08 compound treatment 0.017 0.017 0.48 0.679 0.0112 0.36 0.018326884920635 0.0189375 0.573737687399708 0.8152 0.9836 3616020 ACon1_001928 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(oc3c2)c7ccc(O)cc7)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A09 compound treatment -0.008 -0.00801 -0.22 0.666 -0.00183 -0.06 0.00532688492063499 0.00593749999999999 0.179884753475156 -0.0601 -0.2045 3616025 ACon1_001929 CC1CC(=O)C2C34OC4(C(O)CC2(O)C1)C(O)c5c(O)cccc5C3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A10 compound treatment 0.013 0.013 0.36 0.676 0.00817 0.27 0.00732688492063499 0.00793749999999999 0.240477512540471 0.5027 0.9832 3558789 ACon1_001930 OCC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(CO)OC3Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)c(O)c6)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A11 compound treatment 0.027 0.027 0.76 0.688 0.0202 0.65 0.015326884920635 0.0159375 0.482848548801734 1.0938 0.9843 3616030 ACon1_001931 OCC1OC(C(O)C(O)C1OC2OCC(O)(CO)C2O)c3c(O)cc4OC(C(C(=O)c4c3O)c5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)cc7)c8ccc(O)cc8 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A12 compound treatment 0.024 0.024 0.67 0.678 0.0102 0.33 0.019326884920635 0.0199375 0.604034066932365 0.9273 0.964 3616033 ACon1_001932 OCC1OC(C(O)C(O)C1O)c2c(O)cc3occc(=O)c3c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A13 mock treatment -0.004 -0.00398 -0.11 0.676 0.00817 0.27 0.007326884920635 0.0079375 0.240477512540472 0.2275 0.6067 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A14 mock treatment 0.004 0.00399 0.11 0.672 0.00417 0.14 -0.031673115079365 -0.0310625 -0.941081289233183 -0.4006 -0.4185 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A15 compound treatment 0.004 0.00399 0.11 0.683 0.0152 0.49 0.00932688492063501 0.00993750000000001 0.301070271605787 0.5227 0.8891 3616036 ACon1_001933 OC[C@H]1O[C@@H](Oc2ccc3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A16 compound treatment 0.005 0.00499 0.14 0.667 -8.28E-4 -0.03 0.001326884920635 0.0019375 0.0586992353445246 0.0991 0.6435 3616041 ACon1_001934 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)[C@@H](OC)C32)[C@H]16 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A17 compound treatment 0.011 0.011 0.31 0.668 1.72E-4 0.01 0.005326884920635 0.0059375 0.179884753475156 0.2849 0.7986 3616047 ACon1_001935 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A18 compound treatment 0.012 0.012 0.34 0.67 0.00217 0.07 0.009326884920635 0.0099375 0.301070271605787 0.4086 0.8946 3552637 ACon1_001936 C[C@@H]1C[C@@H]2O[C@H]2/C=C\C=C\C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A19 compound treatment -0.01 -0.00998 -0.28 0.668 1.72E-4 0.01 -0.002673115079365 -0.0020625 -0.0624862827861067 -0.1944 -0.6779 3616054 ACon1_001937 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C)c2)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A20 compound treatment -0.006 -0.00598 -0.17 0.663 -0.00483 -0.16 -0.00567311507936501 -0.00506250000000001 -0.15337542138408 -0.2758 -0.9993 3559850 ACon1_001938 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A21 compound treatment -0.006 -0.00601 -0.17 0.673 0.00517 0.17 -0.112673115079365 -0.1120625 -3.39508803137847 -1.9606 -0.5761 599 ACon1_001939 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A22 compound treatment 0.004 0.00399 0.11 0.664 -0.00383 -0.12 -0.00167311507936502 -0.00106250000000002 -0.0321899032534494 -0.0258 -0.1513 3554279 ACon1_001940 CCCCCCC(C(=O)O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A23 compound treatment 0.014 0.014 0.39 0.671 0.00317 0.1 0.003326884920635 0.0039375 0.11929199440984 0.3547 0.8393 3616064 ACon1_001941 COc1cc(oc(=O)c1C)/C(=C/C(C)(O)C(C)O)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 A24 compound treatment 0.001 9.88E-4 0.03 0.656 -0.0118 -0.38 -0.00667311507936501 -0.00606250000000001 -0.183671800916738 -0.3117 -0.7309 1099693 ACon1_001942 CC(C)(O)C(O)COc1c2occc2cc3ccc(=O)oc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B01 compound treatment -0.003 -0.00301 -0.08 0.67 0.00217 0.07 -0.00467311507936501 -0.00406250000000001 -0.123079041851423 -0.0791 -0.4793 3498385 ACon1_001943 COC(=O)C1C(O)C=Cc2oc3cc(CO)cc(O)c3c(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B02 compound treatment 0.006 0.00599 0.17 0.665 -0.00283 -0.09 -0.00767311507936501 -0.00706250000000001 -0.213968180449396 -0.0796 -0.2773 3554822 ACon1_001944 COc1cc(=O)oc(C(C)C(C)O)c1CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B03 compound treatment 0.018 0.018 0.5 0.67 0.00217 0.07 -0.063673115079365 -0.0630625 -1.91056543427823 -0.7715 -0.3902 3616073 ACon1_001945 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B04 compound treatment -0.031 -0.031 -0.87 0.647 -0.0208 -0.68 0.014326884920635 0.0149375 0.452552169269076 -0.6305 -0.5298 3559763 ACon1_001946 OC[C@H]1O[C@H](S/C(=N/OS(=O)(=O)O)/Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B05 compound treatment 0.003 0.003 0.08 0.674 0.00617 0.2 0.001326884920635 0.0019375 0.0586992353445246 0.1981 0.8802 3616080 ACon1_001947 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)C)[C@H](OC(=O)/C=C/c6ccccc6)[C@H]1OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B06 compound treatment -0.1368 -0.137 -3.83 0.665 -0.00283 -0.09 -0.027673115079365 -0.0270625 -0.819895771102552 -2.7405 -0.6986 3553933 ACon1_001948 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B07 compound treatment 0.002 0.00199 0.06 0.656 -0.0118 -0.38 0.00132688492063499 0.00193749999999999 0.0586992353445243 -0.1556 -0.3965 3616087 ACon1_001949 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(O)C(OC)C8O)C(C)O7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B08 compound treatment 0.023 0.023 0.64 0.68 0.0122 0.4 0.018326884920635 0.0189375 0.573737687399708 0.9311 0.9815 3553383 ACon1_001950 CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)C)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B09 compound treatment 0.001 9.88E-4 0.03 0.566 -0.102 -3.3 -0.00367311507936502 -0.00306250000000002 -0.0927826623187651 -1.9456 -0.5885 3554520 ACon1_001951 CO[C@H]1C(O[C@@H]2C[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@]3(O)O[C@H]12)C(=O)OC)n4cnc5c(N)ncnc45 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B10 compound treatment 0.013 0.013 0.36 0.672 0.00417 0.14 0.00532688492063499 0.00593749999999999 0.179884753475156 0.3923 0.9162 1011613 ACon1_001952 Oc1cc(=O)oc2ccccc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B11 compound treatment 0.013 0.013 0.36 0.667 -8.28E-4 -0.03 0.00732688492063499 0.00793749999999999 0.240477512540471 0.3336 0.7629 2095401 ACon1_001953 CC(=CCCC1(C)Oc2c(C)cc3c4ccc(O)cc4[nH]c3c2C=C1)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B12 compound treatment -0.008 -0.00803 -0.23 0.657 -0.0108 -0.35 -0.021673115079365 -0.0210625 -0.638117493906605 -0.7013 -0.9198 3558299 ACon1_001954 OCCCc1ccc(O)c(O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B13 mock treatment 0.01 0.00999 0.28 0.679 0.0112 0.36 0.006326884920635 0.0069375 0.210181133007814 0.4924 0.9768 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B14 mock treatment 0.015 0.015 0.42 0.666 -0.00183 -0.06 0.012326884920635 0.0129375 0.391959410203761 0.4347 0.7524 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B15 compound treatment 0.007 0.00699 0.2 0.648 -0.0198 -0.64 -0.046673115079365 -0.0460625 -1.39552698222305 -1.0641 -0.6869 1000142 ACon1_001955 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]3(C)C2C(=O)C=C4[C@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B16 compound treatment 0.009 0.00899 0.25 0.662 -0.00583 -0.19 0.00832688492063499 0.00893749999999999 0.270773892073129 0.1926 0.4636 3011353 ACon1_001956 Oc1ccccc1C(=O)/C=C/c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B17 compound treatment 0.016 0.016 0.45 0.667 -8.28E-4 -0.03 0.013326884920635 0.0139375 0.422255789736418 0.4868 0.7902 909 ACon1_001957 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B18 compound treatment 0.019 0.019 0.53 0.672 0.00417 0.14 0.013326884920635 0.0139375 0.422255789736418 0.6293 0.9083 1020611 ACon1_001958 Oc1cccc2oc(cc(=O)c12)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B19 compound treatment 0.011 0.011 0.31 0.66 -0.00783 -0.25 0.00932688492063499 0.00993749999999999 0.301070271605787 0.2055 0.4105 3557567 ACon1_001959 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](CO)C=C[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B20 compound treatment 0.006 0.00599 0.17 0.671 0.00317 0.1 0.00432688492063499 0.00493749999999999 0.149588373942498 0.2427 0.9815 3559544 ACon1_001960 C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B21 compound treatment -0.013 -0.013 -0.36 0.68 0.0122 0.4 0.00432688492063499 0.00493749999999999 0.149588373942498 0.1043 0.187 3557523 ACon1_001961 C/C/1=C\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B22 compound treatment -0.002 -0.00201 -0.06 0.659 -0.00883 -0.29 3.26884920634979E-4 9.37499999999982E-4 0.0284028558118662 -0.1816 -0.6189 3177322 ACon1_001962 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B23 compound treatment 0.015 0.015 0.42 0.659 -0.00883 -0.29 0.004326884920635 0.0049375 0.149588373942498 0.1636 0.3085 3054971 ACon1_001963 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 B24 compound treatment 0.015 0.015 0.42 0.666 -0.00183 -0.06 0.013326884920635 0.0139375 0.422255789736418 0.4518 0.7552 3557449 ACon1_001964 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C01 compound treatment 0.008 0.00802 0.22 0.675 0.00717 0.23 0.00232688492063498 0.00293749999999998 0.0889956148771818 0.3156 0.9402 3616105 ACon1_001965 COc1ccc2OC3CCN(C3C(=O)NC(Cc4ccccc4)C(=O)N/C=C\c1c2)C(=O)C(NC(=O)C(C)N(C)C)C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C02 compound treatment 0.021 0.021 0.59 0.673 0.00517 0.17 0.018326884920635 0.0189375 0.573737687399708 0.7684 0.9154 1034726 ACon1_001966 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C03 compound treatment 0.017 0.017 0.48 0.679 0.0112 0.36 0.014326884920635 0.0149375 0.452552169269076 0.7461 0.9935 3557683 ACon1_001967 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C04 compound treatment -0.011 -0.011 -0.31 0.635 -0.0328 -1.07 0.006326884920635 0.0069375 0.210181133007814 -0.6719 -0.5951 3616115 ACon1_001968 COc1cc(ccc1O)c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c(O)c3c(=O)c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C05 compound treatment 0.029 0.029 0.81 0.686 0.0182 0.59 0.035326884920635 0.0359375 1.08877613945489 1.4385 0.9711 3555406 ACon1_001969 CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4/C(=C/c5cnc[nH]5)/C(=O)N[C@]143)C(C)(C)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C06 compound treatment 0.015 0.015 0.42 0.685 0.0172 0.56 0.010326884920635 0.0109375 0.331366651138445 0.7562 0.9781 3616121 ACon1_001970 CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(CC(=O)O)OC1OC(CO)C(O)C(O)C1O)OC2OC(CO)C(O)C(O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C07 compound treatment 0.006 0.00599 0.17 0.689 0.0212 0.69 0.013326884920635 0.0139375 0.422255789736418 0.7374 0.8952 3616123 ACon1_001971 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]3([C@H](O)O[C@@]45CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O[C@@H]%11OC[C@](O)(CO)[C@H]%11O)[C@H]8O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)C(=O)O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)C4CC1(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C08 compound treatment 0.023 0.023 0.64 0.684 0.0162 0.52 0.018326884920635 0.0189375 0.573737687399708 1.0061 0.9965 3616129 ACon1_001972 CCCC(O)/C(=C/C1=C(C(=O)CC(CC(=O)O)OC(=O)N)C(=O)c2cccc(O)c2C1=O)/CC(C(=O)O)[N+](C)(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C09 compound treatment -0.025 -0.025 -0.7 0.644 -0.0238 -0.77 -0.00567311507936501 -0.00506250000000001 -0.15337542138408 -0.9403 -0.8908 3616135 ACon1_001973 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(C(=O)CCc4ccc(O)cc4)c(O)c3)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C10 compound treatment 0.008 0.00802 0.22 0.678 0.0102 0.33 0.00232688492063498 0.00293749999999998 0.0889956148771818 0.3718 0.9085 1076495 ACon1_001974 CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C11 mock treatment 0.006 0.00599 0.17 0.677 0.00917 0.3 0.00832688492063499 0.00893749999999999 0.270773892073129 0.4251 0.975 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C12 mock treatment 0.009 0.00899 0.25 0.664 -0.00383 -0.12 0.011326884920635 0.0119375 0.361663030671103 0.2826 0.617 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C13 compound treatment 0.0 -1.19E-5 0.0 0.681 0.0132 0.43 0.002326884920635 0.0029375 0.0889956148771824 0.298 0.6825 3616143 ACon1_001975 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(CO)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C14 compound treatment 0.009 0.00902 0.25 0.682 0.0142 0.46 0.00632688492063498 0.00693749999999998 0.210181133007813 0.5329 0.9425 3616150 ACon1_001976 CCCCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C15 mock treatment -0.003 -0.00301 -0.08 0.678 0.0102 0.33 3.26884920634979E-4 9.37499999999982E-4 0.0284028558118662 0.1582 0.4628 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C16 mock treatment 0.011 0.011 0.31 0.665 -0.00283 -0.09 0.015326884920635 0.0159375 0.482848548801734 0.4036 0.6959 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C17 compound treatment 0.007 0.00699 0.2 0.677 0.00917 0.3 0.002326884920635 0.0029375 0.0889956148771824 0.3364 0.9157 3616151 ACon1_001977 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](OC(=O)C)[C@@H](O)[C@@]12COC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C18 compound treatment 0.011 0.011 0.31 0.662 -0.00583 -0.19 0.00932688492063499 0.00993749999999999 0.301070271605787 0.2425 0.5154 3557642 ACon1_001978 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@]9(C8CC(C)(C)C[C@@H]9OC(=O)C)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C19 compound treatment 0.014 0.014 0.39 0.684 0.0162 0.52 0.00932688492063499 0.00993749999999999 0.301070271605787 0.7038 0.9754 1147 ACon1_001979 COc1c2ccoc2cc3oc(=O)ccc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C20 compound treatment 0.002 0.00199 0.06 0.672 0.00417 0.14 0.00532688492063499 0.00593749999999999 0.179884753475156 0.2142 0.9235 3558157 ACon1_001980 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C21 compound treatment -0.01 -0.01 -0.28 0.676 0.00817 0.27 -0.059673115079365 -0.0590625 -1.7893799161476 -1.042 -0.5692 3616160 ACon1_001981 CC1OC(OC2C(O)C(O)C(C)OC2OC3C(O)C(O)C(CO)OC3OC4C(O)C(OC(OC5CCC6(C)C(CCC7(C)C6CCC89OCC%10(CCC(C)(C)CC%109)C(O)CC87C)C5(C)C)C4OC%11OC(CO)C(O)C(O)C%11O)C(=O)O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C22 compound treatment 0.005 0.00499 0.14 0.669 0.00117 0.04 0.011326884920635 0.0119375 0.361663030671103 0.3115 0.7995 3558367 ACon1_001982 C[C@@H]1C[C@H]2OC[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C23 compound treatment 0.008 0.00799 0.22 0.665 -0.00283 -0.09 0.00732688492063499 0.00793749999999999 0.240477512540471 0.2151 0.6306 3616165 ACon1_001983 COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC3C4O[C@]4(CO)[C@@H]5[C@H]3C=COC5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 C24 compound treatment 0.014 0.014 0.39 0.676 0.00817 0.27 0.00932688492063499 0.00993749999999999 0.301070271605787 0.5534 0.9863 3557295 ACon1_001984 C/C=C/C1=CC(=O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D01 compound treatment 0.003 0.00299 0.08 0.664 -0.00383 -0.12 0.00432688492063499 0.00493749999999999 0.149588373942498 0.063 0.2975 3616143 ACon1_001985 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(CO)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D02 compound treatment -0.0862 -0.0862 -2.42 0.536 -0.132 -4.28 -0.064673115079365 -0.0640625 -1.94086181381089 -4.9861 -0.9437 3559089 ACon1_001986 OC1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)OC3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]1[C@@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D03 compound treatment -0.039 -0.039 -1.09 0.635 -0.0328 -1.07 -0.0226731150793651 -0.0220625000000001 -0.668413873439266 -1.6324 -0.9794 3616174 ACon1_001987 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c3c(O)cc(O)c(C(=O)c4ccc(O)cc4)c3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D04 compound treatment -0.004 -0.00401 -0.11 0.689 0.0212 0.69 -0.005673115079365 -0.0050625 -0.15337542138408 0.2432 0.3411 3559657 ACon1_001988 COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D05 compound treatment -0.007 -0.00701 -0.2 0.662 -0.00583 -0.19 0.00832688492063499 0.00893749999999999 0.270773892073129 -0.0664 -0.1727 3616180 ACon1_001989 CC1C2C(CC3C4CC(O[C@@H]5O[C@H](C)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)C7CC(O)CCC7(C)C4CCC23C)OC81OCC(C)CC8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D06 compound treatment 0.003 0.00299 0.08 0.667 -8.28E-4 -0.03 -0.005673115079365 -0.0050625 -0.15337542138408 -0.0557 -0.3151 3559746 ACon1_001990 COc1cc2N3[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@@]74c2cc1OC)CC6=CCO[C@H]5CC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D07 compound treatment 0.02 0.02 0.56 0.658 -0.00983 -0.32 0.017326884920635 0.0179375 0.54344130786705 0.4536 0.5376 3553158 ACon1_001991 C[C@H]1OC(=O)[C@@]23C(=C)[C@]4(C)OC(=O)[C@@]31O[C@]5([C@@H]4O)C(=C)[C@@]6(CC[C@]25C)C=CC(=O)OC6(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D08 compound treatment -0.012 -0.012 -0.34 0.657 -0.0108 -0.35 -0.014673115079365 -0.0140625 -0.426042837178 -0.6436 -0.9946 3559359 ACon1_001992 O[C@@H]1CO[C@@H](O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)CCc3ccc(O)c(O)c3)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D09 compound treatment 0.006 0.00599 0.17 0.666 -0.00183 -0.06 0.00632688492063499 0.00693749999999999 0.210181133007813 0.184 0.668 3616190 ACon1_001993 C/C=C/[C@H]1[C@@H](C=C(C)[C@H]2CC[C@H](C)C[C@H]12)C(=O)c3c(O)c(c[nH]c3=O)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D10 compound treatment -0.003 -0.003 -0.08 0.661 -0.00683 -0.22 -0.008673115079365 -0.0080625 -0.244264559982054 -0.3176 -0.933 3554007 ACon1_001994 CC1CC2C=CC3COC(=O)C3(C)C2CC1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D11 mock treatment 0.022 0.022 0.62 0.678 0.0102 0.33 0.019326884920635 0.0199375 0.604034066932365 0.8954 0.9688 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D12 mock treatment -0.013 -0.013 -0.36 0.66 -0.00783 -0.25 -0.013673115079365 -0.0130625 -0.395746457645343 -0.5858 -0.9842 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D13 compound treatment 0.019 0.019 0.53 0.666 -0.00183 -0.06 0.016326884920635 0.0169375 0.513144928334392 0.569 0.7675 3559637 ACon1_001995 COC(=O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D14 compound treatment -0.017 -0.017 -0.48 0.688 0.0202 0.65 0.00332688492063499 0.00393749999999999 0.11929199440984 0.1711 0.209 3079231 ACon1_001996 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]654)c7ccoc7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D15 mock treatment -0.008 -0.00803 -0.23 0.665 -0.00283 -0.09 -0.010673115079365 -0.0100625 -0.304857319047369 -0.359 -0.9206 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D16 mock treatment -0.005 -0.00501 -0.14 0.681 0.0132 0.43 0.00932688492063499 0.00993749999999999 0.301070271605787 0.3395 0.6271 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D17 compound treatment -0.01 -0.01 -0.28 0.682 0.0142 0.46 -0.00367311507936501 -0.00306250000000001 -0.0927826623187648 0.0499 0.0913 2838 ACon1_001997 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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D18 compound treatment 0.003 0.00299 0.08 0.681 0.0132 0.43 0.012326884920635 0.0129375 0.391959410203761 0.5215 0.8899 3559519 ACon1_001998 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(=O)O)[C@@]1(C)CCc3ccoc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D19 compound treatment 0.002 0.00199 0.06 0.668 1.72E-4 0.01 0.00432688492063499 0.00493749999999999 0.149588373942498 0.1218 0.7623 1054601 ACon1_001999 Cc1cc2c3ccccc3[nH]c2c4C=CC(C)(C)Oc14 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D20 compound treatment 0.001 9.88E-4 0.03 0.667 -8.28E-4 -0.03 -0.00667311507936501 -0.00606250000000001 -0.183671800916738 -0.1056 -0.5625 3559588 ACon1_002000 OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C/C(=C\CC1)/C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D21 compound treatment -0.2128 -0.213 -5.97 0.673 0.00517 0.17 -0.003673115079365 -0.0030625 -0.0927826623187645 -3.4013 -0.5698 3559469 ACon1_002001 CC1(C)CC2C1[C@@H](O)C/C(=C/CCC2=C)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D22 compound treatment 0.005 0.00497 0.14 0.658 -0.00983 -0.32 0.020326884920635 0.0209375 0.634330446465023 0.2625 0.3628 3557446 ACon1_002002 C[C@@]12C[C@H](O)C3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D23 compound treatment -0.003 -0.00301 -0.08 0.678 0.0102 0.33 0.001326884920635 0.0019375 0.0586992353445246 0.1757 0.5082 3559627 ACon1_002003 CCCCCCCCC#CCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 D24 compound treatment 0.006 0.00597 0.17 0.69 0.0222 0.72 0.012326884920635 0.0129375 0.391959410203761 0.7384 0.8829 3557443 ACon1_002004 C[C@@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E01 mock treatment 0.026 0.026 0.73 0.679 0.0112 0.36 0.023326884920635 0.0239375 0.725219585062997 1.0484 0.9621 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E02 mock treatment -0.025 -0.025 -0.7 0.668 1.72E-4 0.01 0.014326884920635 0.0149375 0.452552169269076 -0.1399 -0.1677 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E03 compound treatment -0.007 -0.007 -0.2 0.684 0.0162 0.52 -0.003673115079365 -0.0030625 -0.0927826623187645 0.1361 0.2396 3557620 ACon1_002005 COC(=O)C(=C)[C@]1(O[C@]2(C)CC1=O)[C@H](C[C@@]3(C)OC(=O)/C(=C/C)/[C@]3(O)CC2)OC(=O)C(=C)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E04 compound treatment 0.009 0.00897 0.25 0.659 -0.00883 -0.29 0.020326884920635 0.0209375 0.634330446465023 0.346 0.4675 3616208 ACon1_002006 OCC1OC(OC2OC=C(C(CC(=O)O)C2C=C)C(=O)O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E05 compound treatment -0.007 -0.007 -0.2 0.679 0.0112 0.36 3.26884920635002E-4 9.37500000000005E-4 0.0284028558118669 0.1124 0.2719 3616212 ACon1_002007 OC1C(O)C(COC(=O)/C=C/c2ccc(O)cc2)OC(OC(=O)/C=C/c3ccc(O)c(O)c3)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E06 compound treatment 0.002 0.002 0.06 0.677 0.00917 0.3 0.011326884920635 0.0119375 0.361663030671103 0.413 0.8755 3558000 ACon1_002008 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)/C=C/c7ccccc7)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E07 compound treatment 0.026 0.026 0.73 0.685 0.0172 0.56 0.013326884920635 0.0139375 0.422255789736418 0.9859 0.9767 3555029 ACon1_002009 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC5OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E08 compound treatment 0.031 0.031 0.87 0.688 0.0202 0.65 0.032326884920635 0.0329375 0.997887000856917 1.4554 0.9861 3616218 ACon1_002010 CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(oc3c2)c5ccc(O)cc5)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E09 mock treatment 0.005 0.005 0.14 0.68 0.0122 0.4 0.013326884920635 0.0139375 0.422255789736418 0.5528 0.9291 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E10 mock treatment 0.026 0.026 0.73 0.68 0.0122 0.4 0.020326884920635 0.0209375 0.634330446465023 1.0147 0.9725 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E11 compound treatment -0.022 -0.022 -0.62 0.675 0.00717 0.23 -0.00367311507936502 -0.00306250000000002 -0.0927826623187651 -0.275 -0.4134 3616221 ACon1_002011 COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C[C@H]4[C@H](O)[C@@H]5O[C@]5(CO)[C@H]43)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E12 compound treatment -0.008 -0.008 -0.22 0.67 0.00217 0.07 0.00732688492063501 0.00793750000000001 0.240477512540472 0.05 0.1487 3616227 ACon1_002012 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E13 compound treatment 0.017 0.017 0.48 0.675 0.00717 0.23 0.014326884920635 0.0149375 0.452552169269076 0.6703 0.9622 3616231 ACon1_002013 C/C(=C/CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C4(C)C)/CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E14 compound treatment 0.001 9.88E-4 0.03 0.675 0.00717 0.23 0.00232688492063498 0.00293749999999998 0.0889956148771818 0.2018 0.8047 3614428 ACon1_002014 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E15 compound treatment 0.011 0.011 0.31 0.681 0.0132 0.43 0.017326884920635 0.0179375 0.54344130786705 0.7386 0.9756 3616237 ACon1_002015 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1Oc3cc(O)cc(O)c3C(=O)c4cccc(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E16 compound treatment -0.015 -0.015 -0.42 0.676 0.00817 0.27 0.00932688492063499 0.00993749999999999 0.301070271605787 0.0844 0.1453 3616246 ACon1_002016 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)OC91CCC(C)CN9 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E17 mock treatment -0.007 -0.00701 -0.2 0.688 0.0202 0.65 -0.039673115079365 -0.0390625 -1.18345232549445 -0.4188 -0.3064 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E18 mock treatment 0.006 0.00597 0.17 0.68 0.0122 0.4 0.014326884920635 0.0149375 0.452552169269076 0.586 0.9397 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E19 compound treatment 0.006 0.00598 0.17 0.685 0.0172 0.56 0.013326884920635 0.0139375 0.422255789736418 0.6624 0.9212 3616250 ACon1_002017 COc1cc(cc(O)c1OC)c2cc(O)c(OC)c(OC)c2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E20 compound treatment 0.015 0.015 0.42 0.676 0.00817 0.27 0.005326884920635 0.0059375 0.179884753475156 0.4993 0.9455 3554291 ACon1_002018 CCCCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E21 compound treatment 0.014 0.014 0.39 0.683 0.0152 0.49 -0.017673115079365 -0.0170625 -0.516931975775974 0.2123 0.2606 3616255 ACon1_002019 CC[C@H]1C(=O)CC2C3CCC4C[C@@H](O)[C@]5(O)C[C@]4(CO5)C3CC[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E22 compound treatment 0.018 0.018 0.51 0.658 -0.00983 -0.32 0.006326884920635 0.0069375 0.210181133007814 0.2289 0.3613 3558178 ACon1_002020 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E23 compound treatment 0.013 0.013 0.36 0.677 0.00917 0.3 -0.048673115079365 -0.0480625 -1.45611974128837 -0.4586 -0.2997 3558962 ACon1_002021 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 E24 compound treatment -0.032 -0.032 -0.9 0.627 -0.0408 -1.33 -0.00367311507936501 -0.00306250000000001 -0.0927826623187648 -1.3363 -0.8338 3616265 ACon1_002022 CC(C)c1cc(O)c(C)c(c1O)c2c(C)c(O)cc(C(C)C)c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F01 mock treatment -0.02 -0.02 -0.56 0.665 -0.00283 -0.09 -0.008673115079365 -0.0080625 -0.244264559982054 -0.5183 -0.8369 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F02 mock treatment 0.0 -1.19E-5 0.0 0.658 -0.00983 -0.32 -0.017673115079365 -0.0170625 -0.516931975775974 -0.4828 -0.7948 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F03 compound treatment -0.1278 -0.128 -3.58 0.595 -0.0728 -2.36 -0.00667311507936501 -0.00606250000000001 -0.183671800916738 -3.5391 -0.8238 3616267 ACon1_002023 C[C@H]1O[C@@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F04 compound treatment 0.002 0.00199 0.06 0.68 0.0122 0.4 -0.114673115079365 -0.1140625 -3.45568079044378 -1.7349 -0.4987 3559767 ACon1_002024 COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2OC)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F05 compound treatment 0.0 -1.88E-6 0.0 0.671 0.00317 0.1 -0.009673115079365 -0.0090625 -0.274560939514711 -0.0991 -0.338 3616273 ACon1_002025 C[C@H]1O[C@@H](OC(C)(CC/C=C(\C)/C(=O)O)C=C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F06 compound treatment -0.03 -0.03 -0.84 0.657 -0.0108 -0.35 0.017326884920635 0.0179375 0.54344130786705 -0.3748 -0.3531 1020610 ACon1_002026 Oc1ccc2oc(cc(=O)c2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F07 compound treatment -0.069 -0.069 -1.93 0.594 -0.0738 -2.4 -0.003673115079365 -0.0030625 -0.0927826623187645 -2.5539 -0.8289 3616280 ACon1_002027 CC(=CCCC(C)(O)C1Cc2cc(cc(CC=C(C)C)c2O1)C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F08 compound treatment 0.016 0.016 0.45 0.65 -0.0178 -0.58 0.009326884920635 0.0099375 0.301070271605787 0.0982 0.1242 3616283 ACon1_002028 CCCCOC(=O)C(N)CCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F09 mock treatment -0.049 -0.049 -1.37 0.621 -0.0468 -1.52 -0.014673115079365 -0.0140625 -0.426042837178 -1.9166 -0.9159 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F10 mock treatment -0.044 -0.044 -1.23 0.652 -0.0158 -0.51 -0.029673115079365 -0.0290625 -0.880488530167868 -1.5172 -0.948 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F11 compound treatment -0.082 -0.082 -2.3 0.63 -0.0378 -1.23 -0.012673115079365 -0.0120625 -0.365450078112685 -2.2469 -0.8539 3559302 ACon1_002029 CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C7CC(=C(C)C(=O)O7)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F12 compound treatment 0.012 0.012 0.34 0.639 -0.0288 -0.94 0.007326884920635 0.0079375 0.240477512540472 -0.2073 -0.2027 3553842 ACon1_002030 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F13 compound treatment -0.008 -0.008 -0.22 0.681 0.0132 0.43 0.011326884920635 0.0119375 0.361663030671103 0.3261 0.5406 3559459 ACon1_002031 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F14 compound treatment -0.03 -0.03 -0.84 0.687 0.0192 0.62 0.012326884920635 0.0129375 0.391959410203761 0.1002 0.0897 3558542 ACon1_002032 COc1cc(/C=C/CO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F15 compound treatment -0.043 -0.043 -1.21 0.665 -0.00283 -0.09 0.00832688492063499 0.00893749999999999 0.270773892073129 -0.5924 -0.4783 3553373 ACon1_002033 CC(=O)OC[C@@]12CCC(=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]1(C)[C@@]43CO4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F16 compound treatment -0.024 -0.024 -0.67 0.669 0.00117 0.04 0.018326884920635 0.0189375 0.573737687399708 -0.0353 -0.0399 3559439 ACon1_002034 C/C=C(/C)\C(=O)OC1Cc2c(OC1(C)C)ccc3ccc(=O)oc23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F17 mock treatment -0.062 -0.062 -1.74 0.677 0.00917 0.3 0.003326884920635 0.0039375 0.11929199440984 -0.7629 -0.4316 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F18 mock treatment 0.009 0.00899 0.25 0.678 0.0102 0.33 -0.041673115079365 -0.0410625 -1.24404508455976 -0.3822 -0.2914 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F19 compound treatment -0.009 -0.009 -0.25 0.679 0.0112 0.36 0.003326884920635 0.0039375 0.11929199440984 0.1325 0.2895 3559364 ACon1_002035 COc1cc2[nH]c3ccccc3c2cc1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F20 compound treatment 0.018 0.018 0.5 0.674 0.00617 0.2 -0.005673115079365 -0.0050625 -0.15337542138408 0.3179 0.5643 1308020 ACon1_002036 COc1ccc(cc1)c2cc(=O)c3ccccc3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F21 compound treatment -0.051 -0.051 -1.43 0.685 0.0172 0.56 -6.73115079365002E-4 -6.24999999999991E-5 -0.00189352372079109 -0.5046 -0.3289 1112402 ACon1_002037 COc1ccc2ccc(=O)oc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F22 compound treatment -0.003 -0.00301 -0.08 0.674 0.00617 0.2 -0.144673115079365 -0.1440625 -4.36457217642352 -2.453 -0.5613 3557454 ACon1_002038 C[C@@]12CCC3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)C2CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F23 compound treatment -0.008 -0.008 -0.22 0.653 -0.0148 -0.48 0.00832688492063501 0.00893750000000001 0.27077389207313 -0.251 -0.4212 3559628 ACon1_002039 CCCCCCCCC#CCCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 F24 compound treatment -0.012 -0.012 -0.34 0.655 -0.0128 -0.42 -0.064673115079365 -0.0640625 -1.94086181381089 -1.5549 -0.7723 3557444 ACon1_002040 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G01 compound treatment 0.015 0.015 0.42 0.665 -0.00283 -0.09 0.012326884920635 0.0129375 0.391959410203761 0.4159 0.7147 3616293 ACon1_002041 CCC1CN2CCC3(C2CC1/C(=C/OC)/C(=O)OC)C(=O)Nc4cccc(O)c43 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G02 compound treatment 0.005 0.00499 0.14 0.677 0.00917 0.3 -6.73115079365021E-4 -6.25000000000181E-5 -0.00189352372079166 0.2515 0.7647 3558908 ACon1_002042 CC1(C)CCC[C@@]2(C)C1CC(=O)c3cc(O)c(O)cc32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G03 mock treatment 0.0 -1.19E-5 0.0 0.683 0.0152 0.49 -6.7311507936502E-4 -6.25000000000171E-5 -0.00189352372079163 0.283 0.5747 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G04 mock treatment 0.024 0.024 0.67 0.683 0.0152 0.49 0.023326884920635 0.0239375 0.725219585062997 1.091 0.9877 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G05 compound treatment -0.001 -0.001 -0.03 0.699 0.0312 1.01 0.016326884920635 0.0169375 0.513144928334392 0.8641 0.7615 3557720 ACon1_002043 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(oc2c1)c6ccc(O)c(O)c6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G06 compound treatment 0.02 0.02 0.56 0.696 0.0282 0.91 0.017326884920635 0.0179375 0.54344130786705 1.1649 0.9691 3616299 ACon1_002044 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G07 compound treatment -0.003 -0.00301 -0.08 0.672 0.00417 0.14 0.005326884920635 0.0059375 0.179884753475156 0.1333 0.5542 3616301 ACon1_002045 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(C(=O)/C=C/c4ccccc4)c(O)c3)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G08 compound treatment 0.03 0.03 0.84 0.681 0.0132 0.43 0.023326884920635 0.0239375 0.725219585062997 1.1506 0.9674 3616305 ACon1_002046 CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G09 compound treatment 0.007 0.00697 0.2 0.692 0.0242 0.78 0.013326884920635 0.0139375 0.422255789736418 0.8095 0.8875 3553481 ACon1_002047 CC(C)(O)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G10 compound treatment 0.008 0.00799 0.22 0.684 0.0162 0.52 0.00332688492063498 0.00393749999999998 0.11929199440984 0.5012 0.8597 3616309 ACon1_002048 CC1OC(OC2C(O)C(O)C(OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)CC[C@H](OC8OC(C)C(OC9OCC(O)(COC%10OCC(O)C(OC%11OCC(OC%12OCC(O)(CO)C%12O)C(O)C%11O)C%10O)C9O)C(O)C8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3)OC2CO)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G11 compound treatment 0.02 0.02 0.56 0.679 0.0112 0.36 0.012326884920635 0.0129375 0.391959410203761 0.7597 0.9807 3558718 ACon1_002049 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G12 compound treatment 0.023 0.023 0.64 0.68 0.0122 0.4 0.019326884920635 0.0199375 0.604034066932365 0.9486 0.9807 3616313 ACon1_002050 CC1OC(OC2C(O)C(O)C(COC3OCC(O)C(O)C3O)OC2OC(=O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OC(CO)C(OC%10OC(C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)C(=O)O)C(O)C9O)C(C)(CO)C8CCC7(C)C6(C)CC4)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G13 compound treatment 0.007 0.007 0.2 0.684 0.0162 0.52 0.014326884920635 0.0149375 0.452552169269076 0.6776 0.9408 3616315 ACon1_002051 C[C@@H]1C[C@@H](OC(=O)C)C2[C@]3(C)CCC[C@]2(COC3=O)[C@@]1(O)CCc4ccoc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G14 compound treatment 0.022 0.022 0.62 0.683 0.0152 0.49 0.016326884920635 0.0169375 0.513144928334392 0.9366 0.995 3616319 ACon1_002052 C/C=C\C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G15 compound treatment 0.027 0.027 0.76 0.694 0.0262 0.85 0.022326884920635 0.0229375 0.694923205530339 1.3286 0.9966 3616320 ACon1_002053 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G16 compound treatment 0.017 0.017 0.48 0.673 0.00517 0.17 0.00732688492063499 0.00793749999999999 0.240477512540471 0.5107 0.9131 3616324 ACon1_002054 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)OC81CCC(C)CN8 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G17 compound treatment 0.029 0.029 0.81 0.69 0.0222 0.72 0.026326884920635 0.0269375 0.81610872366097 1.3555 0.9984 3616327 ACon1_002055 COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(c2)c3cc(CC(CO)C(CO)Cc4ccc(O)c(OC)c4)cc(OC)c3O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G18 compound treatment 0.02 0.02 0.56 0.687 0.0192 0.62 0.016326884920635 0.0169375 0.513144928334392 0.9787 0.9969 3553093 ACon1_002056 C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]25[C@@H](/C=C/C[C@H](C)\C=C(/C)\[C@@H](O)C(=O)\C=C\C5=O)[C@@H]6O[C@@]61C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G19 mock treatment 0.026 0.026 0.73 0.68 0.0122 0.4 0.022326884920635 0.0229375 0.694923205530339 1.0496 0.9708 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G20 mock treatment 0.002 0.00199 0.06 0.685 0.0172 0.56 -0.004673115079365 -0.0040625 -0.123079041851422 0.2829 0.4933 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G21 compound treatment 0.013 0.013 0.36 0.683 0.0152 0.49 0.014326884920635 0.0149375 0.452552169269076 0.7554 0.9925 3616329 ACon1_002057 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G22 compound treatment 0.01 0.01 0.28 0.68 0.0122 0.4 0.00532688492063498 0.00593749999999998 0.179884753475155 0.4941 0.9557 3616332 ACon1_002058 OC1COC(OCC2OC(O[C@H](C#N)c3ccccc3)C(O)C(O)C2O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G23 compound treatment 0.013 0.013 0.36 0.681 0.0132 0.43 0.00932688492063499 0.00993749999999999 0.301070271605787 0.6314 0.9901 3616337 ACon1_002059 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCC(O)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 G24 compound treatment -0.002 -0.00201 -0.06 0.674 0.00617 0.2 -0.010673115079365 -0.0100625 -0.304857319047369 -0.0929 -0.2518 3616341 ACon1_002060 COc1c(O)c(C(=O)/C=C\c2ccccc2)c(OC)c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H01 compound treatment 0.014 0.014 0.39 0.674 0.00617 0.2 0.012326884920635 0.0129375 0.391959410203761 0.5684 0.9641 3616345 ACon1_002061 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(O)OC4=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H02 compound treatment -0.045 -0.045 -1.26 0.646 -0.0218 -0.71 -0.0366731150793651 -0.0360625000000001 -1.09256318689648 -1.7683 -0.9752 3559239 ACon1_002062 O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H]1OC(=O)c4cc(O)c(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H03 mock treatment 0.012 0.012 0.34 0.67 0.00217 0.07 0.00832688492063499 0.00893749999999999 0.270773892073129 0.3911 0.8942 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H04 mock treatment 0.017 0.017 0.48 0.682 0.0142 0.46 0.00732688492063499 0.00793749999999999 0.240477512540471 0.6799 0.9643 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H05 compound treatment 0.018 0.018 0.5 0.693 0.0252 0.82 0.014326884920635 0.0149375 0.452552169269076 1.0238 0.9648 3616347 ACon1_002063 CC(CC/C=C(\C)/C(=O)O)C1CC(O)C2(C)C3CCC4C5(CC35CC(O)C12C)CCC(OC6OCC(O)C(O)C6O)C4(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H06 compound treatment 0.014 0.014 0.39 0.677 0.00917 0.3 0.00932688492063501 0.00993750000000001 0.301070271605787 0.5718 0.9914 450 ACon1_002064 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H07 compound treatment 0.019 0.019 0.53 0.695 0.0272 0.88 0.017326884920635 0.0179375 0.54344130786705 1.1299 0.9704 3616351 ACon1_002065 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)CC[C@H](OC8OC(CO)C(OC9OCC(O)C(O)C9O)C(O)C8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3O)O[C@H]2CO)[C@H](O)[C@H](O)[C@H]1O[C@H]%10OC[C@](O)(CO)[C@H]%10O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H08 compound treatment 0.003 0.00302 0.08 0.675 0.00717 0.23 0.00132688492063498 0.00193749999999998 0.058699235344524 0.2171 0.8531 3551814 ACon1_002066 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H09 compound treatment 0.024 0.024 0.67 0.668 1.72E-4 0.01 0.016326884920635 0.0169375 0.513144928334392 0.6879 0.813 3553447 ACon1_002067 CC(C)(C1CC[C@@]2(C)O[C@](C)(CCC2[C@@]1(C)CC(=O)O)C=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H10 compound treatment 0.015 0.015 0.42 0.704 0.0362 1.17 0.015326884920635 0.0159375 0.482848548801734 1.1996 0.897 3557584 ACon1_002068 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H11 compound treatment 0.004 0.00399 0.11 0.672 0.00417 0.14 0.00132688492063498 0.00193749999999998 0.058699235344524 0.1766 0.9539 2321 ACon1_002069 COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H12 compound treatment 0.012 0.012 0.34 0.639 -0.0288 -0.94 0.012326884920635 0.0129375 0.391959410203761 -0.1198 -0.1121 3553497 ACon1_002070 CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](O)[C@@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H13 compound treatment 0.021 0.021 0.59 0.679 0.0112 0.36 0.022326884920635 0.0229375 0.694923205530339 0.95 0.9696 3187885 ACon1_002071 CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H14 compound treatment 0.017 0.017 0.48 0.684 0.0162 0.52 0.00832688492063501 0.00893750000000001 0.27077389207313 0.734 0.9679 3559539 ACon1_002072 C[C@H]1CCC2OC32CC4(O)OC(=O)C(=C4[C@@H](OC(=O)C(=C)C)[C@]13C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H15 compound treatment 0.014 0.014 0.39 0.683 0.0152 0.49 0.015326884920635 0.0159375 0.482848548801734 0.7895 0.9951 3616359 ACon1_002073 CC(CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N=C1/C(=C/3\N=C(/C=C/4\N=C(/C(=C\5/[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N5[Co+]C#N)/C)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\C(C)(C)[C@@H]3CCC(=O)N)/C)OP(=O)(O)O[C@@H]6[C@H](O)[C@@H](O[C@H]6CO)n7cnc8cc(C)c(C)cc78 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H16 compound treatment 0.014 0.014 0.39 0.678 0.0102 0.33 0.014326884920635 0.0149375 0.452552169269076 0.6788 0.992 3559651 ACon1_002074 COc1ccc2C(=O)/C(=C(\O)/c3ccccc3)/Oc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H17 compound treatment 0.024 0.024 0.67 0.624 -0.0438 -1.42 0.021326884920635 0.0219375 0.664626825997681 -0.0495 -0.029 3557456 ACon1_002075 C[C@H](CCC(=O)O)[C@H]1CCC2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C=C[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H18 compound treatment 0.008 0.00799 0.22 0.679 0.0112 0.36 0.00632688492063499 0.00693749999999999 0.210181133007813 0.46 0.968 3559549 ACon1_002076 C/C=C(/CO)\C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H19 mock treatment 0.02 0.02 0.56 0.683 0.0152 0.49 0.018326884920635 0.0189375 0.573737687399708 0.9388 0.9979 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H20 mock treatment 0.014 0.014 0.39 0.675 0.00717 0.23 0.012326884920635 0.0129375 0.391959410203761 0.5871 0.9763 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H21 compound treatment 0.013 0.013 0.36 0.674 0.00617 0.2 0.011326884920635 0.0119375 0.361663030671103 0.5352 0.9704 3559433 ACon1_002077 CC#CCc1cc2ccccc2c(=O)o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H22 compound treatment 0.016 0.016 0.45 0.679 0.0112 0.36 0.011326884920635 0.0119375 0.361663030671103 0.6774 0.9945 3557447 ACon1_002078 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H23 compound treatment 0.012 0.012 0.34 0.67 0.00217 0.07 0.011326884920635 0.0119375 0.361663030671103 0.4436 0.8894 3063892 ACon1_002079 COc1cc2ccc(=O)oc2cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 H24 compound treatment 0.025 0.025 0.7 0.691 0.0232 0.75 0.026326884920635 0.0269375 0.81610872366097 1.31 0.9981 3559653 ACon1_002080 O/C(=C\C(=O)/C=C/c1ccc(O)cc1)/C=C/c2ccc(O)cc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I01 compound treatment 0.001 9.88E-4 0.03 0.662 -0.00583 -0.19 3.26884920634979E-4 9.37499999999982E-4 0.0284028558118662 -0.0768 -0.3974 3616365 ACon1_002081 C[C@]1(CN2C3C4C(O)[C@H]5C(O)C6[C@]73CC(=O)C1)C7[C@@H]2C[C@@]46CC5=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I02 compound treatment -0.014 -0.014 -0.39 0.644 -0.0238 -0.77 -0.017673115079365 -0.0170625 -0.516931975775974 -0.9716 -0.9623 3616368 ACon1_002082 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(CO)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I03 compound treatment 0.013 0.013 0.36 0.675 0.00717 0.23 -0.004673115079365 -0.0040625 -0.123079041851422 0.274 0.6089 3558097 ACon1_002083 COc1cc(C[C@@H]2[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)COC2=O)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I04 compound treatment -0.028 -0.028 -0.79 0.642 -0.0258 -0.84 -0.058673115079365 -0.0580625 -1.75908353661494 -1.9534 -0.9297 3559868 ACon1_002084 OC1C2NCCc3cc4OCOc4c(-c5ccccc15)c23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I05 mock treatment -0.003 -0.00301 -0.08 0.68 0.0122 0.4 -6.7311507936502E-4 -6.25000000000171E-5 -0.00189352372079163 0.1782 0.4412 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I06 mock treatment -0.01 -0.01 -0.28 0.66 -0.00783 -0.25 -0.009673115079365 -0.0090625 -0.274560939514711 -0.4676 -0.9991 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I07 compound treatment -0.002 -0.00202 -0.06 0.682 0.0142 0.46 -0.010673115079365 -0.0100625 -0.304857319047369 0.0569 0.1026 3616375 ACon1_002085 CC(=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)C1CC(O)C3[C@@]2(C)CCC4C(C)(C)[C@@H](O)C[C@@H](O)[C@@]43C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I08 compound treatment -0.004 -0.00401 -0.11 0.658 -0.00983 -0.32 -0.006673115079365 -0.0060625 -0.183671800916738 -0.3551 -0.9227 3616379 ACon1_002086 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I09 compound treatment 0.015 0.015 0.42 0.662 -0.00583 -0.19 0.00932688492063501 0.00993750000000001 0.301070271605787 0.3069 0.558 3558841 ACon1_002087 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I10 compound treatment -0.012 -0.012 -0.34 0.663 -0.00483 -0.16 -0.012673115079365 -0.0120625 -0.365450078112685 -0.4962 -0.9516 3616383 ACon1_002088 CCCCCC(=O)Cc1cc(O)c(O)c2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I11 compound treatment 0.002 0.00199 0.06 0.669 0.00117 0.04 3.26884920634979E-4 9.37499999999982E-4 0.0284028558118662 0.0705 0.9635 3616384 ACon1_002089 OCC12OC2C(O)C3C=COC(OC4OC(COC(=O)/C=C/c5ccccc5)C(O)C(O)C4O)C31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I12 compound treatment -0.003 -0.00301 -0.08 0.666 -0.00183 -0.06 -6.7311507936502E-4 -6.25000000000171E-5 -0.00189352372079163 -0.0841 -0.8148 3616386 ACon1_002090 CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I13 compound treatment 0.009 0.00899 0.25 0.675 0.00717 0.23 3.26884920635E-4 9.37500000000003E-4 0.0284028558118668 0.2963 0.8607 3616388 ACon1_002091 CC(=C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@@H]41 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I14 compound treatment 0.006 0.00602 0.17 0.671 0.00317 0.1 0.001326884920635 0.0019375 0.0586992353445246 0.1907 0.9251 3558106 ACon1_002092 OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I15 compound treatment -0.007 -0.007 -0.2 0.671 0.00317 0.1 -0.012673115079365 -0.0120625 -0.365450078112685 -0.2649 -0.6198 3616390 ACon1_002093 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1Oc3cc(O)cc(O)c3C(=O)c4cc(O)cc(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I16 compound treatment -0.017 -0.017 -0.48 0.662 -0.00583 -0.19 -0.018673115079365 -0.0180625 -0.547228355308632 -0.7008 -0.9338 959 ACon1_002094 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I17 compound treatment 0.016 0.016 0.45 0.666 -0.00183 -0.06 0.015326884920635 0.0159375 0.482848548801734 0.5029 0.7608 3557761 ACon1_002095 OCC1OC(OCC2OC(NCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I18 compound treatment 0.02 0.02 0.56 0.664 -0.00383 -0.12 0.016326884920635 0.0169375 0.513144928334392 0.5478 0.7118 3553773 ACon1_002096 CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)C(O)[C@](NC2=O)(OC)C(=O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I19 compound treatment -0.004 -0.004 -0.11 0.674 0.00617 0.2 -0.00867311507936499 -0.00806249999999999 -0.244264559982053 -0.0902 -0.2689 3616392 ACon1_002097 Cc1cc(O)c(O)c(c1)C(=O)C(=O)c2c(O)cc(O)cc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I20 compound treatment 0.007 0.00699 0.2 0.668 1.72E-4 0.01 -0.00567311507936501 -0.00506250000000001 -0.15337542138408 0.0278 0.1116 3552073 ACon1_002098 C/C=C/C=C/C(=O)C1=C(O)C(=C(O)C(C)(O)C1=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I21 mock treatment 0.019 0.019 0.53 0.663 -0.00483 -0.16 0.011326884920635 0.0119375 0.361663030671103 0.4262 0.6427 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I22 mock treatment -0.001 -0.00102 -0.03 0.679 0.0112 0.36 0.00332688492063498 0.00393749999999998 0.11929199440984 0.2618 0.6839 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I23 compound treatment 0.013 0.013 0.36 0.663 -0.00483 -0.16 0.003326884920635 0.0039375 0.11929199440984 0.1886 0.4557 3616393 ACon1_002099 C/C=C\1/C(CC(=O)OCCc2ccc(O)c(O)c2)C(=COC1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 I24 compound treatment -0.005 -0.00501 -0.14 0.647 -0.0208 -0.68 -0.010673115079365 -0.0100625 -0.304857319047369 -0.6474 -0.8578 3553755 ACon1_002100 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J01 compound treatment -0.017 -0.017 -0.48 0.643 -0.0248 -0.81 -0.009673115079365 -0.0090625 -0.274560939514711 -0.8994 -0.9215 3616395 ACon1_002101 Oc1ccc(cc1)[C@H]2[C@@H]([C@@H]3[C@H](c4ccc(O)cc4)c5c(O)cc(O)cc5OC3=O)C(=O)Oc6cc(O)cc(O)c26 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J02 compound treatment -0.109 -0.109 -3.06 0.581 -0.0868 -2.82 -0.121673115079365 -0.1210625 -3.66775544717239 -5.509 -0.9937 3559240 ACon1_002102 O[C@H]1[C@H]2[C@H](CC(=O)O)C(=O)O[C@@H]3C(COC(=O)c4cc(O)c(O)c(O)c4)O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c6cc(O)c(O)c(OC1=O)c26)[C@@H]3OC(=O)c7cc(O)c(O)c(O)c7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J03 compound treatment -0.02 -0.02 -0.56 0.64 -0.0278 -0.9 -0.024673115079365 -0.0240625 -0.729006632504579 -1.2666 -0.9823 3616397 ACon1_002103 COc1cc(cc2cc(oc12)c3ccc4OCOc4c3)C(O)CCOC5OC(CO)C(O)C(O)C5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J04 compound treatment -0.006 -0.00603 -0.17 0.651 -0.0168 -0.55 -0.001673115079365 -0.0010625 -0.0321899032534488 -0.4315 -0.7536 3559759 ACon1_002104 CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J05 mock treatment -0.009 -0.00903 -0.25 0.66 -0.00783 -0.25 -0.012673115079365 -0.0120625 -0.365450078112685 -0.5039 -0.984 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J06 mock treatment -0.01 -0.01 -0.28 0.668 1.72E-4 0.01 -0.006673115079365 -0.0060625 -0.183671800916738 -0.2652 -0.7894 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J07 compound treatment -0.015 -0.015 -0.42 0.646 -0.0218 -0.71 -0.015673115079365 -0.0150625 -0.456339216710658 -0.9158 -0.972 3616398 ACon1_002105 Cc1cc2c(CO)cc(O)cc2o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J08 compound treatment 0.005 0.00499 0.14 0.658 -0.00983 -0.32 -0.012673115079365 -0.0120625 -0.365450078112685 -0.3144 -0.6228 1066 ACon1_002106 OC1OCC=C2OC(=O)C=C12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J09 compound treatment -0.004 -0.00402 -0.11 0.65 -0.0178 -0.58 -0.00367311507936501 -0.00306250000000001 -0.0927826623187648 -0.4526 -0.7585 3555011 ACon1_002107 COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(=O)C)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J10 compound treatment -0.013 -0.013 -0.37 0.657 -0.0108 -0.35 -0.016673115079365 -0.0160625 -0.486635596243316 -0.6948 -0.9887 3558451 ACon1_002108 CC1=C2CCC(C)(O)C=C2OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J11 compound treatment -0.003 -0.00303 -0.09 0.667 -8.28E-4 -0.03 -0.006673115079365 -0.0060625 -0.183671800916738 -0.1706 -0.8358 3559926 ACon1_002109 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CCOC2=O)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J12 compound treatment -0.011 -0.011 -0.31 0.662 -0.00583 -0.19 -0.016673115079365 -0.0160625 -0.486635596243316 -0.5687 -0.9372 3559949 ACon1_002110 C/C=C(/C)\C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J13 compound treatment -0.028 -0.028 -0.79 0.656 -0.0118 -0.38 -0.025673115079365 -0.0250625 -0.759303012037236 -1.1138 -0.9616 3553079 ACon1_002111 C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](OC(=O)/C(=C/CO)/COC(=O)/C(=C/CO)/C)C3[C@@H]2OC(=O)C3=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J14 compound treatment -0.006 -0.00603 -0.17 0.663 -0.00483 -0.16 -0.009673115079365 -0.0090625 -0.274560939514711 -0.3466 -0.9668 3083213 ACon1_002112 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J15 compound treatment -0.041 -0.041 -1.15 0.646 -0.0218 -0.71 -6.73115079365021E-4 -6.25000000000181E-5 -0.00189352372079166 -1.0735 -0.7953 3558672 ACon1_002113 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CC[C@H]12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J16 compound treatment -0.014 -0.014 -0.39 0.645 -0.0228 -0.74 -0.004673115079365 -0.0040625 -0.123079041851422 -0.7259 -0.8562 3559659 ACon1_002114 CC(=CCn1cnc(N)c2ncnc12)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J17 compound treatment 0.029 0.029 0.81 0.671 0.00317 0.1 0.021326884920635 0.0219375 0.664626825997681 0.9121 0.8649 3141 ACon1_002115 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)/C=C/c6cc(OC)c(OC)c(OC)c6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J18 compound treatment -0.01 -0.01 -0.28 0.668 1.72E-4 0.01 -0.003673115079365 -0.0030625 -0.0927826623187645 -0.2124 -0.7184 2107849 ACon1_002116 C[C@@H]1CCC(=C)/C(=C\C=C/C[C@@]1(C)CCc2ccoc2)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J19 compound treatment 0.006 0.00599 0.17 0.669 0.00117 0.04 0.00832688492063499 0.00893749999999999 0.270773892073129 0.2752 0.8577 1054600 ACon1_002117 COc1cc(C=O)cc2c3ccccc3[nH]c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J20 compound treatment 0.012 0.012 0.34 0.664 -0.00383 -0.12 0.004326884920635 0.0049375 0.149588373942498 0.2087 0.5374 1024517 ACon1_002118 COc1cc2CCNC(C)c2cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J21 mock treatment 0.002 0.00199 0.06 0.658 -0.00983 -0.32 -6.7311507936502E-4 -6.25000000000171E-5 -0.00189352372079163 -0.1531 -0.4727 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J22 mock treatment 0.001 9.88E-4 0.03 0.617 -0.0508 -1.65 -0.00967311507936501 -0.00906250000000001 -0.274560939514712 -1.0949 -0.6547 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J23 compound treatment -0.007 -0.00703 -0.2 0.658 -0.00983 -0.32 -0.010673115079365 -0.0100625 -0.304857319047369 -0.474 -0.9808 1528803 ACon1_002119 CC1(C)C2(C)CCC1(OC2=O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 J24 compound treatment 0.001 9.87E-4 0.03 0.669 0.00117 0.04 0.00332688492063499 0.00393749999999999 0.11929199440984 0.1068 0.833 3559578 ACon1_002120 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C)\COC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K01 compound treatment 0.021 0.021 0.59 0.675 0.00717 0.23 0.020326884920635 0.0209375 0.634330446465023 0.84 0.9379 3553784 ACon1_002121 CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45C(O)C3C1CC2[C@@H]5N(C)c6ccccc64 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K02 compound treatment -0.001 -0.00101 -0.03 0.664 -0.00383 -0.12 -0.00467311507936502 -0.00406250000000002 -0.123079041851423 -0.1592 -0.8984 3557326 ACon1_002122 CC[C@H](C)[C@H]1NC(=O)[C@@H]2C[C@@]3([C@@H](Nc4ccccc43)N2C1=O)C(C)(C)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K03 compound treatment 0.015 0.015 0.42 0.677 0.00917 0.3 0.010326884920635 0.0109375 0.331366651138445 0.6063 0.9891 3558174 ACon1_002123 CC(O)CCC1=CCC2C(CC1C)OC(=O)C2=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K04 compound treatment -0.003 -0.00301 -0.08 0.678 0.0102 0.33 3.26884920634979E-4 9.37499999999982E-4 0.0284028558118662 0.1582 0.4628 3559931 ACon1_002124 CC(=O)NCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)C)C(=O)/C=C/c2ccc(O)cc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K05 compound treatment 0.014 0.014 0.39 0.693 0.0252 0.82 0.003326884920635 0.0039375 0.11929199440984 0.767 0.8391 3552912 ACon1_002125 C[C@]12O[C@@H]2CC3C(C)(C)CCC[C@]3(C)[C@]41CC[C@](C)(CC(=O)O)O4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K06 compound treatment 0.018 0.018 0.5 0.683 0.0152 0.49 0.012326884920635 0.0129375 0.391959410203761 0.8014 0.9942 3616399 ACon1_002126 COc1c(C2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K07 mock treatment -0.008 -0.00803 -0.23 0.698 0.0302 0.98 -0.011673115079365 -0.0110625 -0.335153698580027 0.2418 0.2283 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K08 mock treatment 0.005 0.00499 0.14 0.686 0.0182 0.59 3.26884920635E-4 9.37500000000003E-4 0.0284028558118668 0.4376 0.7212 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K09 compound treatment 0.004 0.00399 0.11 0.68 0.0122 0.4 3.26884920635E-4 9.37500000000003E-4 0.0284028558118668 0.309 0.7509 3616400 ACon1_002127 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K10 compound treatment 0.016 0.016 0.45 0.682 0.0142 0.46 0.010326884920635 0.0109375 0.331366651138445 0.7157 0.9903 3616402 ACon1_002128 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K11 compound treatment 0.014 0.014 0.39 0.691 0.0232 0.75 0.011326884920635 0.0119375 0.361663030671103 0.8691 0.9428 3616404 ACon1_002129 CC(C)C1CCC(=C2CCC(=CC12)C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K12 compound treatment 0.017 0.017 0.48 0.679 0.0112 0.36 0.014326884920635 0.0149375 0.452552169269076 0.7456 0.9936 3616405 ACon1_002130 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K13 compound treatment -0.007 -0.00703 -0.2 0.68 0.0122 0.4 -0.011673115079365 -0.0110625 -0.335153698580027 -0.0793 -0.143 3616407 ACon1_002131 C[C@@H]1[C@@H](C)c2ncccc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K14 compound treatment 0.019 0.019 0.53 0.683 0.0152 0.49 0.016326884920635 0.0169375 0.513144928334392 0.8876 0.9995 3616409 ACon1_002132 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)[C@@H](OC)C32)[C@H]16 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K15 mock treatment 0.028 0.028 0.78 0.686 0.0182 0.59 0.023326884920635 0.0239375 0.725219585062997 1.2119 0.9933 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K16 mock treatment 0.014 0.014 0.39 0.683 0.0152 0.49 0.014326884920635 0.0149375 0.452552169269076 0.7717 0.9957 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K17 compound treatment 0.004 0.00399 0.11 0.675 0.00717 0.23 -0.00167311507936501 -0.00106250000000001 -0.0321899032534491 0.1804 0.6931 3616411 ACon1_002133 CC(CO)C(=O)O[C@H]1CC(C)(C=C)C([C@H]2OC(=O)C(=C)[C@@H]21)C(=C)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K18 compound treatment 0.026 0.026 0.73 0.672 0.00417 0.14 0.023326884920635 0.0239375 0.725219585062997 0.9172 0.8849 3616413 ACon1_002134 OC[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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K19 compound treatment 0.018 0.018 0.5 0.667 -8.28E-4 -0.03 0.013326884920635 0.0139375 0.422255789736418 0.5194 0.7891 3616414 ACon1_002135 CC(C)(O)/C=C/C1=CC(O)C(C)(O)CC1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K20 compound treatment -0.002 -0.00201 -0.06 0.675 0.00717 0.23 -0.00567311507936501 -0.00506250000000001 -0.15337542138408 0.0133 0.0466 3557979 ACon1_002136 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C1CC(O)C3=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K21 compound treatment 0.019 0.019 0.53 0.682 0.0142 0.46 0.011326884920635 0.0119375 0.361663030671103 0.7822 0.9881 1116462 ACon1_002137 Nc1c(O)cccc1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K22 compound treatment -0.019 -0.019 -0.53 0.654 -0.0138 -0.45 -0.025673115079365 -0.0250625 -0.759303012037236 -1.0048 -0.9754 3559068 ACon1_002138 COc1cc(cc(OC)c1OC)C2OC(C(C)C2C)c3cc(OC)c(OC)c(OC)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K23 mock treatment 0.012 0.012 0.34 0.677 0.00917 0.3 0.008326884920635 0.0089375 0.270773892073129 0.5222 0.9961 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 K24 mock treatment 0.007 0.00699 0.2 0.683 0.0152 0.49 0.00932688492063499 0.00993749999999999 0.301070271605787 0.5712 0.9372 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L01 compound treatment -0.025 -0.025 -0.7 0.675 0.00717 0.23 -0.015673115079365 -0.0150625 -0.456339216710658 -0.5343 -0.6149 3615597 ACon1_002139 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L02 compound treatment -0.008 -0.00802 -0.22 0.67 0.00217 0.07 -0.008673115079365 -0.0080625 -0.244264559982054 -0.2301 -0.6781 3557877 ACon1_002140 OC[C@H]1O[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L03 compound treatment -0.003 -0.00301 -0.08 0.643 -0.0248 -0.81 -0.00767311507936499 -0.00706249999999999 -0.213968180449395 -0.6375 -0.7608 3616416 ACon1_002141 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L04 compound treatment 0.0 -1.19E-5 0.0 0.663 -0.00483 -0.16 -0.005673115079365 -0.0050625 -0.15337542138408 -0.1792 -0.8173 1091317 ACon1_002142 CC(C)CC(=O)CC1(C)CCC(O1)c2ccoc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L05 compound treatment 0.014 0.014 0.39 0.678 0.0102 0.33 0.010326884920635 0.0109375 0.331366651138445 0.6083 0.9966 3616418 ACon1_002143 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](OC(=O)C)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L06 compound treatment -0.1148 -0.115 -3.22 0.567 -0.101 -3.27 -0.036673115079365 -0.0360625 -1.09256318689647 -4.3784 -0.928 3552811 ACon1_002144 C[C@@H]1OC(CC[C@@H]1O)O[C@@]23C(=O)C[C@](C)(O)C[C@@]3(O)C=CC4=C2C(=O)c5ccc([C@H]6C[C@@H](O[C@H]7CC[C@H](O[C@H]8C[C@@H](O)[C@H](O)[C@@H](C)O8)[C@H](C)O7)[C@H](O)[C@@H](C)O6)c(O)c5C4=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L07 mock treatment -0.001 -0.00101 -0.03 0.653 -0.0148 -0.48 -0.00667311507936501 -0.00606250000000001 -0.183671800916738 -0.4003 -0.7759 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L08 mock treatment 0.007 0.00698 0.2 0.658 -0.00983 -0.32 -0.00667311507936501 -0.00606250000000001 -0.183671800916738 -0.1771 -0.4249 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L09 compound treatment -0.361 -0.361 -10.12 0.681 0.0132 0.43 0.012326884920635 0.0129375 0.391959410203761 -5.3705 -0.5297 3558762 ACon1_002145 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L10 compound treatment -0.01 -0.00998 -0.28 0.68 0.0122 0.4 -0.015673115079365 -0.0150625 -0.456339216710658 -0.197 -0.2961 3558525 ACon1_002146 COC(=O)CCCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L11 compound treatment 0.004 0.00399 0.11 0.679 0.0112 0.36 0.00132688492063498 0.00193749999999998 0.058699235344524 0.3078 0.8016 3558176 ACon1_002147 COc1cc(O)c2C(=O)[C@H](OC(=O)C)[C@H](Oc2c1)c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L12 compound treatment 0.008 0.00799 0.22 0.657 -0.0108 -0.35 0.004326884920635 0.0049375 0.149588373942498 0.0128 0.0289 3554563 ACon1_002148 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@@H]3[C@]1(C)CC[C@@H]4C(C)(C)[C@H](CC[C@]43CO)OC(=O)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L13 compound treatment 0.017 0.017 0.48 0.71 0.0422 1.37 0.012326884920635 0.0129375 0.391959410203761 1.2912 0.8602 3559438 ACon1_002149 CC(C)CC(=O)OC1C(Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)CC(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L14 compound treatment 0.006 0.00599 0.17 0.668 1.72E-4 0.01 0.00432688492063499 0.00493749999999999 0.149588373942498 0.1865 0.8292 3559513 ACon1_002150 C[C@]1(C[C@]23CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L15 mock treatment 0.017 0.017 0.48 0.672 0.00417 0.14 0.013326884920635 0.0139375 0.422255789736418 0.597 0.9173 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L16 mock treatment 0.002 0.00198 0.06 0.663 -0.00483 -0.16 0.002326884920635 0.0029375 0.0889956148771824 -0.007 -0.037 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L17 compound treatment 0.013 0.013 0.36 0.69 0.0222 0.72 0.012326884920635 0.0129375 0.391959410203761 0.8516 0.95 3173755 ACon1_002151 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L18 compound treatment 0.019 0.019 0.53 0.665 -0.00283 -0.09 0.018326884920635 0.0189375 0.573737687399708 0.5853 0.7431 3553165 ACon1_002152 CC#CC#C/C=C\1/OC2(OC=CC2OC(=O)C=C(C)C)C=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L19 compound treatment -0.046 -0.046 -1.29 0.651 -0.0168 -0.55 -0.016673115079365 -0.0160625 -0.486635596243316 -1.3415 -0.9042 3616420 ACon1_002153 COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L20 compound treatment -0.001 -0.00101 -0.03 0.677 0.00917 0.3 0.005326884920635 0.0059375 0.179884753475156 0.2593 0.7432 3557450 ACon1_002154 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L21 compound treatment -0.004 -0.00401 -0.11 0.679 0.0112 0.36 -0.00567311507936502 -0.00506250000000002 -0.153375421384081 0.0558 0.1364 1023016 ACon1_002155 COc1ccc2ccc(=O)oc2c1CC=C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L22 compound treatment 0.013 0.013 0.36 0.677 0.00917 0.3 0.003326884920635 0.0039375 0.11929199440984 0.451 0.9294 3557458 ACon1_002156 C[C@@]12CCC3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L23 mock treatment 0.016 0.016 0.45 0.675 0.00717 0.23 0.016326884920635 0.0169375 0.513144928334392 0.6895 0.9575 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 L24 mock treatment 0.017 0.017 0.48 0.684 0.0162 0.52 0.016326884920635 0.0169375 0.513144928334392 0.874 0.9991 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M01 compound treatment 0.008 0.00802 0.22 0.67 0.00217 0.07 0.00232688492063498 0.00293749999999998 0.0889956148771818 0.2219 0.881 3555864 ACon1_002157 OC(=O)CCCCCCCC(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M02 compound treatment 0.01 0.00999 0.28 0.666 -0.00183 -0.06 0.00932688492063499 0.00993749999999999 0.301070271605787 0.3012 0.7251 3616422 ACon1_002158 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M03 compound treatment 0.003 0.00299 0.08 0.677 0.00917 0.3 -0.00167311507936502 -0.00106250000000002 -0.0321899032534494 0.2016 0.6486 3557282 ACon1_002159 C[C@@H]1O[C@@H](Oc2ccc(cc2)c3coc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc4c3=O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M04 compound treatment 0.011 0.011 0.31 0.681 0.0132 0.43 0.011326884920635 0.0119375 0.361663030671103 0.6336 0.9912 3553312 ACon1_002160 CC(=O)NC1CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)/CCOC1=O)NC(=O)C)NC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M05 compound treatment -0.038 -0.038 -1.06 0.639 -0.0288 -0.94 -0.052673115079365 -0.0520625 -1.577305259419 -2.0656 -0.9741 3553564 ACon1_002161 CC(C)c1cc2C(O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)C34)c2c(O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M06 compound treatment 0.009 0.00902 0.25 0.683 0.0152 0.49 0.00432688492063498 0.00493749999999998 0.149588373942497 0.5166 0.901 3616424 ACon1_002162 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M07 compound treatment 0.008 0.00799 0.22 0.676 0.00817 0.27 0.001326884920635 0.0019375 0.0586992353445246 0.3163 0.8985 3616426 ACon1_002163 CC1CC(=O)C2C(O)(C1)CC(O)C34OC4c5c(O)cccc5C(=O)C23O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M08 compound treatment -0.005 -0.00503 -0.14 0.665 -0.00283 -0.09 -0.012673115079365 -0.0120625 -0.365450078112685 -0.3454 -0.8586 3616427 ACon1_002164 CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1C(O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M09 mock treatment -0.005 -0.00501 -0.14 0.669 0.00117 0.04 -0.00867311507936499 -0.00806249999999999 -0.244264559982053 -0.2002 -0.704 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M10 mock treatment -0.02 -0.02 -0.56 0.649 -0.0188 -0.61 -0.019673115079365 -0.0190625 -0.57752473484129 -1.0105 -0.9994 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M11 compound treatment -0.011 -0.011 -0.31 0.662 -0.00583 -0.19 -6.7311507936502E-4 -6.25000000000171E-5 -0.00189352372079163 -0.2885 -0.7969 3616429 ACon1_002165 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M12 compound treatment -0.003 -0.00301 -0.08 0.655 -0.0128 -0.42 -0.013673115079365 -0.0130625 -0.395746457645343 -0.5176 -0.8915 3616431 ACon1_002166 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M13 mock treatment -0.009 -0.00902 -0.25 0.664 -0.00383 -0.12 -0.012673115079365 -0.0120625 -0.365450078112685 -0.4287 -0.9291 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M14 mock treatment 0.002 0.00202 0.06 0.671 0.00317 0.1 -0.00667311507936501 -0.00606250000000001 -0.183671800916738 -0.0139 -0.0639 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M15 compound treatment 0.003 0.00302 0.08 0.66 -0.00783 -0.25 0.00132688492063498 0.00193749999999998 0.058699235344524 -0.0639 -0.2332 3616433 ACon1_002167 CC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)C(O)CC7(C(O)CC65C)C(=O)O)C3(C)C)OC2CO)C(O)C(OC8OCC(O)C(O)C8O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M16 compound treatment -0.009 -0.00903 -0.25 0.638 -0.0298 -0.97 -0.007673115079365 -0.0070625 -0.213968180449396 -0.8286 -0.8098 3616434 ACon1_002168 CC(C)[C@H](NC(=O)[C@H](C)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(/C=C\NC(=O)[C@H](Cc4ccccc4)NC(=O)C21)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M17 compound treatment -0.005 -0.00501 -0.14 0.662 -0.00583 -0.19 -0.00667311507936501 -0.00606250000000001 -0.183671800916738 -0.2964 -0.992 3616436 ACon1_002169 CC1(CO)CC(=O)CC2(C)C1CCC3=C2COC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M18 compound treatment -0.001 -0.00101 -0.03 0.667 -8.28E-4 -0.03 0.00232688492063499 0.00293749999999999 0.0889956148771821 0.0195 0.2005 3554069 ACon1_002170 CC1CCC2C(C)(C)C(=O)CC[C@]2(C)C31Cc4c(O3)c5CN(C(CCC(=O)O)C(=O)O)C(=O)c5cc4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M19 compound treatment 0.01 0.00999 0.28 0.663 -0.00483 -0.16 0.007326884920635 0.0079375 0.240477512540472 0.2101 0.5238 3616437 ACon1_002171 CCCc1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M20 compound treatment -0.01 -0.01 -0.28 0.662 -0.00583 -0.19 -0.010673115079365 -0.0100625 -0.304857319047369 -0.4476 -0.9818 3555795 ACon1_002172 O=C1NC2CCc3nc4ccccc4c(=O)n3C2=Nc5ccccc15 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M21 compound treatment -0.005 -0.005 -0.14 0.668 1.72E-4 0.01 -0.006673115079365 -0.0060625 -0.183671800916738 -0.1838 -0.7951 3616438 ACon1_002173 O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccc(O)cc2)O[C@@H](Oc3ccc(O)cc3)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M22 compound treatment 0.0 -1.88E-6 0.0 0.668 1.72E-4 0.01 -0.005673115079365 -0.0050625 -0.15337542138408 -0.0854 -0.5562 3554747 ACon1_002174 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(OC)c3C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M23 compound treatment 0.004 0.00399 0.11 0.657 -0.0108 -0.35 0.00132688492063498 0.00193749999999998 0.058699235344524 -0.1044 -0.2797 3554983 ACon1_002175 COc1cc(O)c2C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C3c2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 M24 compound treatment -0.043 -0.043 -1.21 0.619 -0.0488 -1.58 -0.047673115079365 -0.0470625 -1.42582336175571 -2.4347 -0.994 3616440 ACon1_002176 Oc1ccc(CCCCC(=O)CCc2ccc(O)c(O)c2)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N01 compound treatment -0.024 -0.024 -0.67 0.661 -0.00683 -0.22 -0.024673115079365 -0.0240625 -0.729006632504579 -0.9378 -0.9221 3616441 ACon1_002177 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N02 compound treatment -0.022 -0.022 -0.62 0.637 -0.0308 -1.0 -0.023673115079365 -0.0230625 -0.698710252971921 -1.3377 -0.978 3557494 ACon1_002178 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N03 compound treatment -0.003 -0.00301 -0.08 0.641 -0.0268 -0.87 -0.016673115079365 -0.0160625 -0.486635596243316 -0.8324 -0.8316 3616443 ACon1_002179 C[C@@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@H](OC(=O)C(=C)CO)[C@@H]3[C@@H]2OC(=O)C3=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N04 compound treatment -0.024 -0.024 -0.67 0.639 -0.0288 -0.94 -0.027673115079365 -0.0270625 -0.819895771102552 -1.4025 -0.9914 3553392 ACon1_002180 CC(=O)OCC#Cc1ccc(s1)c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N05 compound treatment -0.017 -0.017 -0.48 0.66 -0.00783 -0.25 -0.025673115079365 -0.0250625 -0.759303012037236 -0.8608 -0.9233 3616445 ACon1_002181 C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N06 compound treatment -0.015 -0.015 -0.42 0.609 -0.0588 -1.91 -0.448673115079365 -0.4480625 -13.5746715543515 -9.183 -0.6696 3559417 ACon1_002182 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=CC[C@@H]12)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N07 compound treatment -0.025 -0.025 -0.7 0.639 -0.0288 -0.94 -0.030673115079365 -0.0300625 -0.910784909700526 -1.4712 -0.9925 3616447 ACon1_002183 CNc1ccccc1C(=O)OC2OC(C)C(O)C(O)C2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N08 compound treatment -0.044 -0.044 -1.23 0.643 -0.0248 -0.81 -0.0406731150793651 -0.0400625000000001 -1.21374870502711 -1.8787 -0.9838 3559635 ACon1_002184 CC(=CC(O)C/C(=C\CCC(C)(O)C=C)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N09 mock treatment -0.046 -0.046 -1.29 0.618 -0.0498 -1.62 -0.036673115079365 -0.0360625 -1.09256318689647 -2.3096 -0.9871 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N10 mock treatment -0.014 -0.014 -0.39 0.636 -0.0318 -1.03 -0.006673115079365 -0.0060625 -0.183671800916738 -0.9296 -0.8296 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N11 compound treatment -0.026 -0.026 -0.73 0.638 -0.0298 -0.97 -0.033673115079365 -0.0330625 -1.0016740482985 -1.5586 -0.9911 3616448 ACon1_002185 CCC[C@@H](O)[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N12 compound treatment -0.013 -0.013 -0.36 0.635 -0.0328 -1.07 -0.00967311507936501 -0.00906250000000001 -0.274560939514712 -0.9843 -0.8491 3558517 ACon1_002186 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N13 mock treatment -0.007 -0.00701 -0.2 0.636 -0.0318 -1.03 -0.010673115079365 -0.0100625 -0.304857319047369 -0.8859 -0.8092 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N14 mock treatment -0.006 -0.00601 -0.17 0.651 -0.0168 -0.55 -0.003673115079365 -0.0030625 -0.0927826623187645 -0.4662 -0.8051 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N15 compound treatment -0.038 -0.038 -1.07 0.66 -0.00783 -0.25 -0.012673115079365 -0.0120625 -0.365450078112685 -0.9728 -0.8425 3557442 ACon1_002187 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N16 compound treatment -0.005 -0.00503 -0.14 0.663 -0.00483 -0.16 -0.006673115079365 -0.0060625 -0.183671800916738 -0.278 -0.994 3552715 ACon1_002188 C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N17 compound treatment -0.017 -0.017 -0.48 0.646 -0.0218 -0.71 -0.010673115079365 -0.0100625 -0.304857319047369 -0.8608 -0.9489 3557445 ACon1_002189 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N18 compound treatment -0.04 -0.04 -1.12 0.645 -0.0228 -0.74 -0.00467311507936501 -0.00406250000000001 -0.123079041851423 -1.146 -0.8493 3559502 ACon1_002190 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@H]4C[C@]3(CC4=C)CCC12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N19 compound treatment -0.032 -0.032 -0.9 0.652 -0.0158 -0.51 -0.037673115079365 -0.0370625 -1.12285956642913 -1.4634 -0.9584 3559390 ACon1_002191 Oc1ccc2C(=O)C(C(Oc2c1)c3ccc(O)c(O)c3)C4C(Oc5cc(O)ccc5C4=O)c6ccc(O)c(O)c6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N20 compound treatment -0.019 -0.019 -0.53 0.652 -0.0158 -0.51 -0.017673115079365 -0.0170625 -0.516931975775974 -0.9031 -0.9999 3559784 ACon1_002192 O=C1/C(=C/2\Nc3ccccc3C2=O)/Nc4ccccc14 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N21 compound treatment 0.002 0.00199 0.06 0.642 -0.0258 -0.84 0.00732688492063499 0.00793749999999999 0.240477512540471 -0.3129 -0.3581 1090111 ACon1_002193 CC(=C)C1Cc2cc(ccc2O1)C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N22 compound treatment -0.021 -0.021 -0.59 0.655 -0.0128 -0.42 -0.014673115079365 -0.0140625 -0.426042837178 -0.8268 -0.9864 3557455 ACon1_002194 C[C@@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C2CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N23 compound treatment -0.006 -0.00601 -0.17 0.639 -0.0288 -0.94 -0.019673115079365 -0.0190625 -0.57752473484129 -0.9709 -0.8729 3553947 ACon1_002195 CC1=CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 N24 compound treatment -0.001 -0.00101 -0.03 0.667 -8.28E-4 -0.03 0.00432688492063499 0.00493749999999999 0.149588373942498 0.0545 0.3522 1737132 ACon1_002196 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O01 compound treatment 0.011 0.011 0.31 0.673 0.00517 0.17 0.018326884920635 0.0189375 0.573737687399708 0.6057 0.901 3554295 ACon1_002197 CCCCCCCC1OC(=O)CCC(O)/C=C/C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O02 compound treatment 0.007 0.00699 0.2 0.662 -0.00583 -0.19 0.00232688492063499 0.00293749999999999 0.0889956148771821 0.0553 0.193 3616449 ACon1_002198 CC1C(O)C=C2[C@@H](CC[C@@]3(O)[C@](C)([C@H](O)CC[C@]23C)C(=O)O)[C@H]1C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O03 compound treatment 0.004 0.00399 0.11 0.666 -0.00183 -0.06 0.00432688492063499 0.00493749999999999 0.149588373942498 0.1167 0.5953 3558022 ACon1_002199 C/C/1=C\[C@H](O)C2[C@H](OC(=O)C2=C)/C=C(\CO)/CCC1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O04 compound treatment 0.022 0.022 0.62 0.684 0.0162 0.52 0.016326884920635 0.0169375 0.513144928334392 0.9557 0.9965 3616451 ACon1_002200 CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(=O)C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O05 compound treatment 0.012 0.012 0.34 0.674 0.00617 0.2 0.00732688492063499 0.00793749999999999 0.240477512540471 0.4485 0.9767 3616452 ACon1_002201 CCC/C=C/C(=O)OC1C(O)C2(C(O)OC34CCC5C6(C)CCC(OC7OC(C(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9OC%10OCC(O)C(O)C%10O)C7OC%11OC(CO)C(O)C(O)C%11O)C(=O)O)C(C)(C)C6CCC5(C)C4(C)CC2OC(=O)C)C3CC1(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O06 compound treatment 0.003 0.00299 0.08 0.665 -0.00283 -0.09 3.26884920635E-4 9.37500000000003E-4 0.0284028558118668 0.0118 0.0924 3616299 ACon1_002202 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O07 compound treatment -0.008 -0.00803 -0.23 0.68 0.0122 0.4 -0.012673115079365 -0.0120625 -0.365450078112685 -0.1129 -0.1936 3616454 ACon1_002203 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O08 compound treatment 0.006 0.00602 0.17 0.661 -0.00683 -0.22 0.00232688492063498 0.00293749999999998 0.0889956148771818 0.0209 0.0713 3616455 ACon1_002204 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C=CC(C5C4C=CC(=O)C5(O)C(=O)OCc6cccc(O)c6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C3=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O09 compound treatment 0.007 0.00699 0.2 0.675 0.00717 0.23 0.00332688492063498 0.00393749999999998 0.11929199440984 0.3164 0.9681 3616458 ACon1_002205 COc1cc(O)c(C(=O)c2c(O)cc(C)cc2O)c(c1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O10 compound treatment -0.013 -0.013 -0.36 0.656 -0.0118 -0.38 -0.017673115079365 -0.0170625 -0.516931975775974 -0.7305 -0.9873 1063449 ACon1_002206 COc1c(C)c(OCC=C(C)C)cc(CO)c1CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O11 mock treatment -0.001 -0.00103 -0.03 0.663 -0.00483 -0.16 -0.006673115079365 -0.0060625 -0.183671800916738 -0.2132 -0.8769 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O12 mock treatment 0.003 0.00299 0.08 0.654 -0.0138 -0.45 -0.00567311507936501 -0.00506250000000001 -0.15337542138408 -0.2993 -0.6214 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O13 compound treatment -0.007 -0.00703 -0.2 0.673 0.00517 0.17 -0.015673115079365 -0.0150625 -0.456339216710658 -0.2804 -0.5344 3616460 ACon1_002207 C[C@H](CO)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)/CC/C=C(\C)/CC[C@H](O)\C(=C\C[C@H]12)\C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O14 compound treatment 0.0 -1.19E-5 0.0 0.671 0.00317 0.1 -0.00367311507936502 -0.00306250000000002 -0.0927826623187651 0.0057 0.0409 3616463 ACon1_002208 OC[C@H]1O[C@@H](OC2OC=C3C(CC4N(CCc5c4[nH]c6ccccc56)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O15 compound treatment 0.02 0.02 0.56 0.668 1.72E-4 0.01 0.015326884920635 0.0159375 0.482848548801734 0.606 0.8185 3616464 ACon1_002209 CC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)C8CC7(C(O)CC65C)C(=O)O8)C3(C)C)OC2CO)C(O)C(OC9OCC(O)C(O)C9O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O16 compound treatment 0.0 -1.88E-6 0.0 0.674 0.00617 0.2 -0.006673115079365 -0.0060625 -0.183671800916738 0.0096 0.0352 3616465 ACon1_002210 COC1OC2C(c3ccc4OCOc4c13)[N+](C)([O-])CCc5cc6OCOc6cc25 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O17 compound treatment 0.001 9.88E-4 0.03 0.669 0.00117 0.04 -0.00367311507936502 -0.00306250000000002 -0.0927826623187651 -0.0156 -0.1501 3616466 ACon1_002211 CCC(C)C(O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O18 compound treatment -0.001 -0.00101 -0.03 0.641 -0.0268 -0.87 -0.00767311507936499 -0.00706249999999999 -0.213968180449395 -0.6426 -0.7164 3616469 ACon1_002212 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O19 compound treatment -0.021 -0.021 -0.59 0.66 -0.00783 -0.25 -0.015673115079365 -0.0150625 -0.456339216710658 -0.7506 -0.9529 3616471 ACon1_002213 CC(C)CC1NC(=O)C2(O)C1C(C)C(=CC2/C=C(\C)/CCC(O)C(O)/C=C/C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O20 compound treatment -0.013 -0.013 -0.36 0.657 -0.0108 -0.35 -0.016673115079365 -0.0160625 -0.486635596243316 -0.6943 -0.9887 3554660 ACon1_002214 COC(=O)C1(Cc2ccc(O)c(CC3OC3(C)C)c2)OC(=O)C(=C1c4ccc(O)cc4)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O21 compound treatment 0.015 0.015 0.42 0.661 -0.00683 -0.22 0.00632688492063499 0.00693749999999999 0.210181133007813 0.2365 0.4547 3616474 ACon1_002215 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C(O)C1O)[C@H]2CC(OC3OCC(O)C(O)C3O)[C@@]4(C)C5CC[C@@H]6[C@]7(C[C@@]57CC(O)[C@]24C)CC[C@H](O[C@@H]8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C6(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O22 compound treatment 0.003 0.00302 0.08 0.665 -0.00283 -0.09 0.00132688492063498 0.00193749999999998 0.058699235344524 0.0298 0.2157 3558516 ACon1_002216 COC(=O)C(C(O)c1ccc(O)c(OC)c1)C(CO)Cc2ccc(O)c(OC)c2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O23 compound treatment 0.009 0.00899 0.25 0.657 -0.0108 -0.35 0.00432688492063499 0.00493749999999999 0.149588373942498 0.0289 0.0633 3616477 ACon1_002217 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)c(C(=O)NCCc3ccc(O)c(O)c3)c(O)c2C)C1O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 O24 compound treatment -0.017 -0.017 -0.48 0.647 -0.0208 -0.68 -0.013673115079365 -0.0130625 -0.395746457645343 -0.8945 -0.975 3616478 ACon1_002218 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(=O)OC4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P01 compound treatment -0.027 -0.027 -0.76 0.656 -0.0118 -0.38 -0.018673115079365 -0.0180625 -0.547228355308632 -0.9751 -0.965 3616479 ACon1_002219 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)CCc4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P02 compound treatment -0.001 -0.00101 -0.03 0.665 -0.00283 -0.09 -0.00567311507936501 -0.00506250000000001 -0.15337542138408 -0.1579 -0.8726 3559761 ACon1_002220 CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P03 compound treatment -0.006 -0.00603 -0.17 0.671 0.00317 0.1 -0.011673115079365 -0.0110625 -0.335153698580027 -0.2317 -0.5952 3616481 ACon1_002221 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@@H]31 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P04 compound treatment -0.006 -0.00603 -0.17 0.655 -0.0128 -0.42 -0.010673115079365 -0.0100625 -0.304857319047369 -0.514 -0.9466 3559446 ACon1_002222 COc1cc2OC(C)(C)C=Cc2cc1C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P05 compound treatment 0.002 0.00199 0.06 0.651 -0.0168 -0.55 0.00532688492063498 0.00593749999999998 0.179884753475155 -0.1793 -0.3103 3558885 ACon1_002223 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@@H]3N[C@@H](Cc4c3[nH]c5ccccc45)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P06 compound treatment 0.007 0.00699 0.2 0.656 -0.0118 -0.38 3.26884920635E-4 9.37500000000003E-4 0.0284028558118668 -0.0921 -0.2133 3558178 ACon1_002224 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P07 compound treatment -0.009 -0.009 -0.25 0.662 -0.00583 -0.19 -0.015673115079365 -0.0150625 -0.456339216710658 -0.5184 -0.9345 3558887 ACon1_002225 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P08 compound treatment -0.004 -0.00401 -0.11 0.67 0.00217 0.07 -0.010673115079365 -0.0100625 -0.304857319047369 -0.2003 -0.6023 3559717 ACon1_002226 CC1(C)CC(=O)c2ccc(O)cc2O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P09 compound treatment 0.004 0.00402 0.11 0.654 -0.0138 -0.45 -0.00367311507936502 -0.00306250000000002 -0.0927826623187651 -0.2476 -0.5247 3559894 ACon1_002227 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@]43C)C12)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P10 compound treatment -0.004 -0.004 -0.11 0.65 -0.0178 -0.58 -0.010673115079365 -0.0100625 -0.304857319047369 -0.5748 -0.8663 3557753 ACon1_002228 CC(O)/C=C/C1(O)C(=CC(=O)CC1(C)C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P11 mock treatment -0.015 -0.015 -0.42 0.64 -0.0278 -0.9 -0.016673115079365 -0.0160625 -0.486635596243316 -1.0457 -0.9428 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P12 mock treatment -0.01 -0.01 -0.28 0.659 -0.00883 -0.29 -0.015673115079365 -0.0150625 -0.456339216710658 -0.5913 -0.9728 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P13 compound treatment 0.0 -1.19E-5 0.0 0.644 -0.0238 -0.77 -0.00367311507936502 -0.00306250000000002 -0.0927826623187651 -0.5002 -0.6423 3552932 ACon1_002229 C[C@H](CCCC(C)(C(=O)O)C(=O)O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P14 compound treatment 0.01 0.00999 0.28 0.659 -0.00883 -0.29 0.005326884920635 0.0059375 0.179884753475156 0.1001 0.228 3553129 ACon1_002230 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]3(C)[C@H]1C=CC3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P15 compound treatment -0.007 -0.00703 -0.2 0.661 -0.00683 -0.22 -0.006673115079365 -0.0060625 -0.183671800916738 -0.3478 -0.997 346 ACon1_002231 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[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 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P16 compound treatment -0.006 -0.00601 -0.17 0.652 -0.0158 -0.51 -0.006673115079365 -0.0060625 -0.183671800916738 -0.4999 -0.8756 3552697 ACon1_002232 C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CCC2(O)CO)C3(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P17 compound treatment 0.002 0.00202 0.06 0.648 -0.0198 -0.64 -0.00267311507936502 -0.00206250000000002 -0.0624862827861073 -0.3749 -0.5777 3557610 ACon1_002233 O[C@H]1[C@H](O)[C@@H](OC(=O)c2ccc(O)cc2)[C@H](Oc3ccc(O)cc3)O[C@@H]1COC(=O)CC(=O)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P18 compound treatment -0.018 -0.018 -0.51 0.67 0.00217 0.07 -0.020673115079365 -0.0200625 -0.607821114373947 -0.6021 -0.7586 3559496 ACon1_002234 COC(=O)C[C@H](C)CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P19 compound treatment -0.006 -0.00603 -0.17 0.665 -0.00283 -0.09 -0.004673115079365 -0.0040625 -0.123079041851422 -0.2217 -0.9706 3554682 ACon1_002235 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@@H]31)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@@H]64)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P20 compound treatment -0.002 -0.00201 -0.06 0.66 -0.00783 -0.25 -0.00567311507936501 -0.00506250000000001 -0.15337542138408 -0.2678 -0.8865 3557448 ACon1_002236 C[C@@]12CCC3[C@@H](CCc4cc(O)ccc34)C2CC[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P21 compound treatment -0.002 -0.00201 -0.06 0.67 0.00217 0.07 3.26884920634981E-4 9.37499999999984E-4 0.0284028558118662 0.0245 0.2592 3559463 ACon1_002237 C/C(=C\CCC(C)(O)C=C)/CCC(O)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P22 compound treatment -0.006 -0.00603 -0.17 0.665 -0.00283 -0.09 -0.009673115079365 -0.0090625 -0.274560939514711 -0.3091 -0.9221 3557457 ACon1_002238 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P23 compound treatment -0.018 -0.018 -0.51 0.495 -0.173 -5.61 -0.018673115079365 -0.0180625 -0.547228355308632 -3.8462 -0.6797 3559434 ACon1_002239 CCCCCCCCCCCC=C=CCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2296 P24 compound treatment 0.03 0.03 0.84 0.666 -0.00183 -0.06 0.018326884920635 0.0189375 0.573737687399708 0.7821 0.7674 3559647 ACon1_002240 COc1ccc2C(=O)/C(=C/c3ccccc3)/Oc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A01 compound treatment 0.0054 0.00542 0.15 0.692 0.026 0.84 0.00391331417624576 0.00475862068965518 0.144168978465751 0.6583 0.757 3552712 ACon1_002241 C[C@@H]1CCC/C=C/[C@H]2C[C@@H](O)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A02 compound treatment -0.0106 -0.0106 -0.3 0.7 0.034 1.1 0.0129133141762458 0.0137586206896552 0.416836394259673 0.7064 0.5807 3559403 ACon1_002242 O=CNCCc1c[nH]c2ccccc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A03 compound treatment 0.0134 0.0134 0.38 0.676 0.01 0.32 0.0219133141762458 0.0227586206896552 0.689503810053593 0.8026 0.9445 1060832 ACon1_002243 OCC(Cc1ccccc1)NC(=O)c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A04 compound treatment 0.0154 0.0154 0.43 0.669 0.00301 0.1 0.00591331417624575 0.00675862068965517 0.204761737531067 0.4241 0.8688 3555658 ACon1_002244 O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)Cc3ccccc3)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A05 compound treatment 0.0284 0.0284 0.8 0.688 0.022 0.71 0.0179133141762458 0.0187586206896552 0.568318291922962 1.2002 0.9909 3554875 ACon1_002245 COc1cc(ccc1O)[C@H]2[C@H]3COC4(O)[C@H]3C(=CC2C4=O)[C@H]5Oc6cc(O)cc(O)c6C(=O)[C@@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A06 compound treatment -0.0176 -0.0176 -0.49 0.679 0.013 0.42 0.00791331417624575 0.00875862068965517 0.265354496596382 0.1125 0.1605 1032994 ACon1_002246 O=C1CC(Oc2ccccc12)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A07 compound treatment 0.0304 0.0304 0.85 0.663 -0.00299 -0.1 0.0239133141762458 0.0247586206896552 0.750096569118909 0.8691 0.7627 3559373 ACon1_002247 C/C=C(\C)/C(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](C)[C@](C)(CC(=O)c2ccoc2)C3CCC=C(C)[C@]13C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A08 compound treatment 0.0274 0.0274 0.77 0.675 0.00901 0.29 0.0069133141762458 0.00775862068965522 0.235058117063726 0.7481 0.8749 3557592 ACon1_002248 CC1(C)CCCC2(C)C(CCC(=C)C(O)CO)C(C)(O)CCC12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A09 compound treatment 0.0174 0.0174 0.49 0.678 0.012 0.39 -0.00308668582375426 -0.00224137931034484 -0.067905678262854 0.4677 0.7443 3559707 ACon1_002249 COc1ccc2C=C(COc2c1)c3cc(O)c(O)cc3OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A10 compound treatment 0.0114 0.0114 0.32 0.678 0.012 0.39 9.1331417624574E-4 0.00175862068965516 0.0532798398677773 0.4407 0.8688 3559278 ACon1_002250 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A11 compound treatment 0.0244 0.0244 0.68 0.682 0.016 0.52 0.0119133141762458 0.0127586206896552 0.386540014727015 0.918 0.9746 3559492 ACon1_002251 C[C@@H]1CCC2C(=CC(=O)CC2(C)C)[C@@]1(C)CC/C(=C/CO)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A12 compound treatment 0.0114 0.0114 0.32 0.675 0.00901 0.29 0.0229133141762458 0.0237586206896552 0.719800189586251 0.7689 0.9152 3616487 ACon1_002252 CC1OC(=O)CC2C(=CC3CC(C)(C)CC321)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A13 mock treatment 0.0094 0.0094 0.26 0.672 0.00601 0.19 0.00291331417624575 0.00375862068965517 0.113872598933093 0.3304 0.9523 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A14 mock treatment 0.0024 0.00242 0.07 0.674 0.00801 0.26 -0.00108668582375426 -2.41379310344837E-4 -0.00731291919753837 0.185 0.6885 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A15 compound treatment 0.0124 0.0124 0.35 0.675 0.00901 0.29 0.0109133141762458 0.0117586206896552 0.356243635194357 0.5752 0.9964 3616488 ACon1_002253 CON1c2ccccc2[C@]3(C=C(OC)C(=O)N4/C(=C/c5cnc[nH]5)/C(=O)N[C@@]143)C(C)(C)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A16 compound treatment 0.0054 0.00542 0.15 0.679 0.013 0.42 0.00291331417624574 0.00375862068965516 0.113872598933093 0.3972 0.8581 1637425 ACon1_002254 Cc1cc(O)c(Cc2c(O)cc(C)oc2=O)c(=O)o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A17 compound treatment 0.0084 0.00842 0.24 0.662 -0.00399 -0.13 0.00191331417624576 0.00275862068965518 0.0835762194004357 0.1097 0.3891 3558320 ACon1_002255 COc1cc(/C=C/C(=O)NCCCCNC(=O)C)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A18 compound treatment 0.0054 0.0054 0.15 0.668 0.00201 0.07 0.00591331417624575 0.00675862068965517 0.204761737531067 0.2432 0.9254 3553473 ACon1_002256 CC(C)(O)C1=CCC2(COC3C2)C1CCC3(O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A19 compound treatment -0.0026 -0.00258 -0.07 0.672 0.00601 0.19 0.00491331417624576 0.00575862068965518 0.174465357998409 0.1715 0.6318 3558714 ACon1_002257 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(oc2c1)c5ccc(O)cc5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A20 compound treatment 0.0014 0.00142 0.04 0.657 -0.00899 -0.29 0.00291331417624576 0.00375862068965518 0.113872598933094 -0.0798 -0.2527 3616491 ACon1_002258 COc1cc(oc(=O)c1C)/C(=C/C(=C\C(=O)O)/C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A21 compound treatment -0.0026 -0.00258 -0.07 0.658 -0.00799 -0.26 -0.0110866858237543 -0.0102413793103449 -0.310276714524118 -0.3707 -0.9022 3559881 ACon1_002259 CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)C[C@H](Oc13)c4ccc(O)cc4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A22 compound treatment -0.0076 -0.00758 -0.21 0.663 -0.00299 -0.1 -0.00908668582375426 -0.00824137931034484 -0.249683955458801 -0.323 -0.9443 3616494 ACon1_002260 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C=C[C@@]78OC[C@@]9(CCC(C)(C)C[C@H]98)[C@@H](O)C[C@]76C)[C@]4(C)CO)[C@@H]3O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A23 compound treatment 0.0114 0.0114 0.32 0.673 0.00701 0.23 0.00291331417624575 0.00375862068965517 0.113872598933093 0.3819 0.934 3552806 ACon1_002261 C[C@@H]1O[C@@H](OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@@H]6C7[C@@](C)(O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](CC=C(C)C)O[C@@]7(O)[C@H](O)[C@]65C)C3(C)C)C(O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 A24 compound treatment -0.0066 -0.00658 -0.18 0.661 -0.00499 -0.16 -0.0110866858237543 -0.0102413793103449 -0.310276714524118 -0.3792 -0.9584 1062887 ACon1_002262 CC1C(=O)c2cc3OCOc3cc2CCN(C)Cc4c5OCOc5ccc14 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B01 compound treatment -0.0026 -0.00258 -0.07 0.667 0.00101 0.03 -0.00808668582375425 -0.00724137931034483 -0.219387575926143 -0.1496 -0.6411 1047225 ACon1_002263 COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B02 mock treatment 0.0104 0.0104 0.29 0.659 -0.00699 -0.23 -0.00608668582375425 -0.00524137931034483 -0.158794816860827 -0.0541 -0.1343 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B03 compound treatment 0.0074 0.0074 0.21 0.679 0.013 0.42 0.0089133141762458 0.00975862068965522 0.295650876129042 0.5342 0.9615 3559335 ACon1_002264 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC(CO)C3CC(OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC)C(C)C3COC(=O)CC6\C(=C\C)\C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B04 mock treatment 0.0224 0.0224 0.63 0.648 -0.018 -0.58 0.00691331417624576 0.00775862068965518 0.235058117063725 0.1613 0.1814 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B05 compound treatment 0.0114 0.0114 0.32 0.672 0.00601 0.19 0.0069133141762458 0.00775862068965522 0.235058117063726 0.4328 0.9791 3616499 ACon1_002265 CO[C@@H]1[C@H](Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2C1=O)c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B06 mock treatment 4.0E-4 4.19E-4 0.01 0.657 -0.00899 -0.29 -0.00508668582375425 -0.00424137931034483 -0.128498437328169 -0.2359 -0.7393 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B07 compound treatment 0.0064 0.00642 0.18 0.66 -0.00599 -0.19 -0.0450866858237543 -0.0442413793103449 -1.34035361863448 -0.7823 -0.5725 3616501 ACon1_002266 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)/C=C/c2ccc(O)cc2)C(=O)O)OC(=O)/C=C/c3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B08 mock treatment -0.0536 -0.0536 -1.5 0.668 0.00201 0.07 0.0079133141762458 0.00875862068965522 0.265354496596384 -0.6767 -0.4431 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B09 compound treatment -0.0056 -0.00558 -0.16 0.666 6.8E-6 0.0 -0.00808668582375425 -0.00724137931034483 -0.219387575926143 -0.2169 -0.8048 3616503 ACon1_002267 COC(=O)[C@]12O[C@@H]2[C@@H](C[C@H]3[C@]4(C)C[C@H](OC(=O)[C@H]4CC[C@]31C)c5ccoc5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B10 mock treatment 0.0144 0.0144 0.4 0.673 0.00701 0.23 0.00291331417624576 0.00375862068965518 0.113872598933094 0.4304 0.9012 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B11 compound treatment -0.0036 -0.00358 -0.1 0.672 0.00601 0.19 -8.66858237542401E-5 7.58620689655183E-4 0.02298346033512 0.0679 0.3077 3616506 ACon1_002268 OC1C(O)C2C(C(C1C=C2/C=C/C(=O)O)c3ccc(O)c(O)c3)C(=O)OC(Cc4ccc(O)c(O)c4)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B12 mock treatment -0.0086 -0.00858 -0.24 0.661 -0.00499 -0.16 -0.0060866858237543 -0.00524137931034488 -0.158794816860829 -0.3241 -0.9802 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B13 mock treatment 0.0044 0.00442 0.12 0.674 0.00801 0.26 -0.00108668582375425 -2.41379310344827E-4 -0.00731291919753807 0.2173 0.7547 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B14 mock treatment 0.0134 0.0134 0.38 0.668 0.00201 0.07 -0.157086685823754 -0.156241379310345 -4.73354812629215 -2.4784 -0.5219 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B15 compound treatment -0.1263 -0.126 -3.54 0.66 -0.00599 -0.19 -0.0130866858237543 -0.0122413793103449 -0.370869473589433 -2.3704 -0.6649 3558465 ACon1_002269 CC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)c6ccc(O)cc6)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B16 mock treatment 0.0074 0.00742 0.21 0.658 -0.00799 -0.26 0.00391331417624576 0.00475862068965518 0.144168978465751 0.0536 0.1478 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B17 compound treatment 0.0164 0.0164 0.46 0.667 0.00101 0.03 0.0139133141762458 0.0147586206896552 0.447132773792331 0.5425 0.8447 3555288 ACon1_002270 COc1ccc2CC3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2C54CCN3C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B18 mock treatment 0.0164 0.0164 0.46 0.656 -0.00999 -0.32 0.00591331417624576 0.00675862068965518 0.204761737531067 0.1964 0.328 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B19 compound treatment 0.0044 0.00442 0.12 0.668 0.00201 0.07 0.00191331417624574 0.00275862068965516 0.0835762194004351 0.1574 0.9654 3559140 ACon1_002271 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B20 mock treatment 0.0094 0.00942 0.26 0.667 0.00101 0.03 0.00391331417624575 0.00475862068965517 0.144168978465751 0.2546 0.8412 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B21 compound treatment 0.0044 0.00442 0.12 0.675 0.00901 0.29 -0.0100866858237543 -0.00924137931034488 -0.27998033499146 0.0786 0.1858 3559603 ACon1_002272 CC1(C)CCCC2C3(C)CCC(C)(CC3CCC21O)C(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B22 mock treatment 0.0024 0.00242 0.07 0.66 -0.00599 -0.19 -0.00508668582375425 -0.00424137931034483 -0.128498437328169 -0.1473 -0.6069 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B23 compound treatment 0.0114 0.0114 0.32 0.658 -0.00799 -0.26 0.00691331417624576 0.00775862068965518 0.235058117063725 0.1708 0.36 3558670 ACon1_002273 Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 B24 mock treatment 0.0164 0.0164 0.46 0.649 -0.017 -0.55 0.0119133141762458 0.0127586206896552 0.386540014727015 0.1702 0.2087 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C01 compound treatment -0.0136 -0.0136 -0.38 0.638 -0.028 -0.91 -0.0190866858237543 -0.0182413793103449 -0.55264775078538 -1.0638 -0.9416 3557715 ACon1_002274 OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C02 compound treatment 0.0204 0.0204 0.57 0.674 0.00801 0.26 0.0129133141762457 0.0137586206896551 0.41683639425967 0.7214 0.956 3559945 ACon1_002275 OC[C@H]1O[C@@H](OC(C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C03 compound treatment 0.0124 0.0124 0.35 0.683 0.017 0.55 0.0119133141762458 0.0127586206896552 0.386540014727015 0.7429 0.9794 3558659 ACon1_002276 CC(C)(O)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C04 compound treatment 0.0184 0.0184 0.52 0.655 -0.011 -0.36 0.0129133141762457 0.0137586206896551 0.41683639425967 0.3328 0.4417 3553732 ACon1_002277 CC(NC(=O)/C=C/C(=O)O)C(=O)NC(C(C)c1c[nH]c2ccccc12)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C05 compound treatment 0.0284 0.0284 0.8 0.671 0.00501 0.16 0.0259133141762458 0.0267586206896552 0.810689328184224 1.0216 0.89 3553321 ACon1_002278 CC(=O)O[C@@H]/1C\C=C(/C)\C[C@@H](OC(=O)/C(=C/CO)/CO)C2[C@H](OC(=O)C2=C)/C=C1/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C06 compound treatment 0.0154 0.0154 0.43 0.685 0.019 0.62 0.00691331417624574 0.00775862068965516 0.235058117063724 0.7416 0.9396 3616509 ACon1_002279 CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C07 compound treatment 0.0014 0.00141 0.04 0.674 0.00801 0.26 0.00291331417624574 0.00375862068965516 0.113872598933093 0.2386 0.8329 3554995 ACon1_002280 COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C08 compound treatment 0.0094 0.0094 0.26 0.686 0.02 0.65 0.0199133141762458 0.0207586206896552 0.628911050988278 0.8901 0.9453 3554703 ACon1_002281 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C09 compound treatment 0.0144 0.0144 0.4 0.672 0.00601 0.19 0.00691331417624576 0.00775862068965518 0.235058117063725 0.4817 0.9507 3559543 ACon1_002282 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3CC2C(=C)CC[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C10 compound treatment 0.0094 0.00943 0.26 0.68 0.014 0.45 -8.66858237542601E-5 7.58620689655163E-4 0.0229834603351194 0.4283 0.8138 2107842 ACon1_002283 C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)COC(=O)C)[C@]4(C[C@@H]5[C@H](CC(C)(C)C5=O)[C@](C)(C4OC(=O)C)[C@H]2OC(=O)C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C11 mock treatment 0.0114 0.0114 0.32 0.67 0.00401 0.13 0.00491331417624574 0.00575862068965516 0.174465357998409 0.3606 0.9317 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C12 mock treatment 0.0044 0.00442 0.12 0.674 0.00801 0.26 0.00291331417624576 0.00375862068965518 0.113872598933094 0.2873 0.9281 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C13 compound treatment 4.0E-4 4.19E-4 0.01 0.674 0.00801 0.26 9.13314176245754E-4 0.00175862068965518 0.0532798398677777 0.1876 0.7064 3554771 ACon1_002284 COc1c(O)ccc2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(C)cc(O)c4C(=O)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C14 compound treatment -0.0056 -0.00558 -0.16 0.672 0.00601 0.19 -0.00108668582375426 -2.41379310344837E-4 -0.00731291919753837 0.018 0.0721 3616510 ACon1_002285 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C=CC(=O)C4(C)C3C2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C15 mock treatment 0.0014 0.00142 0.04 0.674 0.00801 0.26 -0.00108668582375426 -2.41379310344837E-4 -0.00731291919753837 0.1688 0.6418 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C16 mock treatment 0.0124 0.0124 0.35 0.672 0.00601 0.19 0.00791331417624576 0.00875862068965518 0.265354496596383 0.4665 0.9742 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C17 compound treatment 0.0084 0.00842 0.24 0.66 -0.00599 -0.19 0.00691331417624576 0.00775862068965518 0.235058117063725 0.1597 0.414 3558911 ACon1_002286 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)[C@@H]2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C18 compound treatment 0.0044 0.00442 0.12 0.667 0.00101 0.03 0.00391331417624575 0.00475862068965517 0.144168978465751 0.1736 0.9002 3559669 ACon1_002287 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCC2=CC(=O)OC2)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C19 compound treatment 0.0114 0.0114 0.32 0.682 0.016 0.52 0.00291331417624576 0.00375862068965518 0.113872598933094 0.5505 0.8868 3555826 ACon1_002288 OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C20 compound treatment -0.0416 -0.0416 -1.17 0.64 -0.026 -0.84 -0.0200866858237543 -0.0192413793103449 -0.582944130318038 -1.4965 -0.964 3616511 ACon1_002289 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C21 compound treatment -0.0056 -0.00558 -0.16 0.664 -0.00199 -0.06 -0.00708668582375426 -0.00624137931034484 -0.189091196393485 -0.2369 -0.9332 3616514 ACon1_002290 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)OC(=O)/C=C/c3ccc(O)c(O)c3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C22 compound treatment 4.0E-4 4.19E-4 0.01 0.66 -0.00599 -0.19 -0.00608668582375425 -0.00524137931034483 -0.158794816860827 -0.1972 -0.7845 3616517 ACon1_002291 COC(=O)CC1(C/C=C(\C)/CCC=C(C)C)CC(=O)CCC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C23 compound treatment 0.0074 0.00742 0.21 0.662 -0.00399 -0.13 0.00291331417624574 0.00375862068965516 0.113872598933093 0.111 0.4108 3555607 ACon1_002292 O[C@@H]1Cc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5[C@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)cc6)c7ccc(O)cc7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 C24 compound treatment 0.0114 0.0114 0.32 0.671 0.00501 0.16 0.00891331417624575 0.00975862068965517 0.29565087612904 0.4493 0.9662 3069520 ACon1_002293 COc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D01 compound treatment -0.0126 -0.0126 -0.35 0.652 -0.014 -0.45 -0.0100866858237543 -0.00924137931034488 -0.27998033499146 -0.6274 -0.9811 3616522 ACon1_002294 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C=C[C@@]56OC[C@@]7(CCC(C)(C)C[C@H]76)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D02 mock treatment -0.0046 -0.00458 -0.13 0.666 6.8E-6 0.0 -8.66858237542597E-5 7.58620689655163E-4 0.0229834603351195 -0.0608 -0.4657 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D03 compound treatment -0.0086 -0.0086 -0.24 0.667 0.00101 0.03 -0.00908668582375429 -0.00824137931034487 -0.249683955458802 -0.2645 -0.7587 3616525 ACon1_002295 OC[C@H]1O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D04 mock treatment -0.0106 -0.0106 -0.3 0.677 0.011 0.36 -0.0140866858237543 -0.0132413793103449 -0.401165853122091 -0.197 -0.3209 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D05 compound treatment -0.0136 -0.0136 -0.38 0.668 0.00201 0.07 9.13314176245754E-4 0.00175862068965518 0.0532798398677777 -0.1513 -0.3883 3616527 ACon1_002296 COC(=O)C1=C[C@@H](C[C@H]2[C@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D06 mock treatment -0.0176 -0.0176 -0.49 0.647 -0.019 -0.62 0.00491331417624575 0.00575862068965517 0.174465357998409 -0.5396 -0.6677 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D07 compound treatment -0.0016 -0.00159 -0.04 0.657 -0.00899 -0.29 0.00891331417624576 0.00975862068965518 0.29565087612904 -0.0236 -0.0564 3616529 ACon1_002297 CC1OC(OC2C(O)COC(OC3C(O)C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC6C7=CCC8C9(C)CC(O)C(OC%10OC(C)C(O)C(OC%11OCC(O)C(OC%12OCC(OC%13OCC(O)(CO)C%13O)C(O)C%12O)C%11O)C%10O)C(C)(CO)C9CCC8(C)C7(C)CC5O)OC(C)C(O)C4OC%14OCC(O)C(O)C%14O)C3O)C2O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D08 mock treatment 0.0064 0.00642 0.18 0.657 -0.00899 -0.29 9.1331417624575E-4 0.00175862068965517 0.0532798398677776 -0.0338 -0.0975 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D09 compound treatment -0.0026 -0.00257 -0.07 0.654 -0.012 -0.39 -0.00708668582375425 -0.00624137931034483 -0.189091196393485 -0.3755 -0.856 3616530 ACon1_002298 CC(C)(O)CCc1cc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2cc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D10 mock treatment -0.0246 -0.0246 -0.69 0.637 -0.029 -0.94 -0.0170866858237543 -0.0162413793103449 -0.492054991720065 -1.2254 -0.9679 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D11 mock treatment 4.0E-4 4.09E-4 0.01 0.675 0.00901 0.29 0.0159133141762458 0.0167586206896552 0.507725532857646 0.4685 0.7996 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D12 mock treatment -0.0206 -0.0206 -0.58 0.671 0.00501 0.16 -0.0130866858237543 -0.0122413793103449 -0.370869473589433 -0.4533 -0.6433 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D13 compound treatment 0.0114 0.0114 0.32 0.668 0.00201 0.07 0.0069133141762458 0.00775862068965522 0.235058117063726 0.3578 0.89 3616533 ACon1_002299 CC1(CO)C(OC2OCC(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(=C)CCC7(CCC65C)C(=O)OC8OC(CO)C(O)C(O)C8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D14 mock treatment -0.0036 -0.0036 -0.1 0.69 0.024 0.78 -0.00408668582375425 -0.00324137931034483 -0.0982020577955115 0.3348 0.4229 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D15 mock treatment -0.0166 -0.0166 -0.47 0.666 6.8E-6 0.0 -0.0040866858237543 -0.00324137931034488 -0.098202057795513 -0.3253 -0.6838 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D16 mock treatment 0.0064 0.00642 0.18 0.672 0.00601 0.19 -0.00308668582375425 -0.00224137931034483 -0.0679056782628537 0.1772 0.6472 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D17 compound treatment -0.0126 -0.0126 -0.35 0.67 0.00401 0.13 -0.00608668582375426 -0.00524137931034484 -0.158794816860827 -0.2203 -0.5397 3559611 ACon1_002300 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC[C@@]89OC[C@@]%10(CCC(C)(C)CC%109)[C@H](O)C[C@]87C)C5(C)C)O[C@@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D18 mock treatment 0.0044 0.00442 0.12 0.673 0.00701 0.23 0.00891331417624576 0.00975862068965518 0.29565087612904 0.3735 0.9503 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D19 compound treatment -0.0086 -0.00858 -0.24 0.676 0.01 0.32 0.00291331417624574 0.00375862068965516 0.113872598933093 0.1143 0.2723 3559413 ACon1_002301 COC(=O)[C@H]1CC[C@H](OC(=O)C)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D20 mock treatment 0.0054 0.0054 0.15 0.649 -0.017 -0.55 0.0109133141762458 0.0117586206896552 0.356243635194357 -0.0253 -0.0376 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D21 compound treatment -0.0046 -0.0046 -0.13 0.68 0.014 0.45 -0.0100866858237543 -0.00924137931034488 -0.27998033499146 0.0263 0.0479 3559708 ACon1_002302 CC(OC(=O)/C=C(/C)\COC(=O)C)c1ccc(O)c(c1)C(=O)C=C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D22 mock treatment 0.0164 0.0164 0.46 0.648 -0.018 -0.58 0.0159133141762457 0.0167586206896551 0.507725532857643 0.2214 0.246 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D23 compound treatment -6.0E-4 -5.82E-4 -0.02 0.675 0.00901 0.29 0.00591331417624574 0.00675862068965516 0.204761737531066 0.2776 0.7769 3558805 ACon1_002303 CC1[C@@H]2CCC3(C)OC43C(O)C=C(C)C4[C@H]2OC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 D24 mock treatment -0.0026 -0.00259 -0.07 0.672 0.00601 0.19 0.00791331417624581 0.00875862068965523 0.265354496596384 0.2238 0.6638 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E01 mock treatment 0.0234 0.0234 0.66 0.676 0.01 0.32 0.0259133141762458 0.0267586206896552 0.810689328184224 1.0343 0.9469 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E02 mock treatment 0.0194 0.0194 0.54 0.671 0.00501 0.16 0.0119133141762458 0.0127586206896552 0.386540014727015 0.6315 0.9186 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E03 compound treatment 0.0234 0.0234 0.66 0.678 0.012 0.39 0.0209133141762458 0.0217586206896552 0.659207430520935 0.9843 0.9762 3616539 ACon1_002304 COc1cccc2C(=O)c3c(C(=O)c12)c(O)cc4CC(C)(O)CC(=O)c43 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E04 compound treatment 0.0254 0.0254 0.71 0.677 0.011 0.36 0.0199133141762458 0.0207586206896552 0.628911050988278 0.9805 0.966 3616542 ACon1_002305 CC(O)/C=C/C1(O)C(C)CC(O)CC1(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E05 compound treatment 0.0014 0.00141 0.04 0.683 0.017 0.55 0.0169133141762458 0.0177586206896552 0.538021912390304 0.6521 0.8449 1054502 ACon1_002306 COc1cc2n(C)c3ccccc3c(=O)c2c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E06 compound treatment 0.0314 0.0314 0.88 0.686 0.02 0.65 0.0229133141762458 0.0237586206896552 0.719800189586251 1.2987 0.9918 3616546 ACon1_002307 CC1OC(OCC2(C)CCC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(COC7OC(CO)C(O)C(O)C7O)C6CCC54C)C3=C2)C(=O)O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E07 compound treatment 0.0274 0.0274 0.77 0.689 0.023 0.75 0.0239133141762458 0.0247586206896552 0.750096569118909 1.3077 0.9999 3616548 ACon1_002308 CC(O)CC1CCC(O)C(C)C(=O)OC(CC(C)O)CCC(O)C(C)C(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E08 compound treatment 0.0294 0.0294 0.82 0.672 0.00601 0.19 0.0219133141762458 0.0227586206896552 0.689503810053593 0.9865 0.9033 3559871 ACon1_002309 C/C=C\1/CN2C3Cc4c([nH]c5ccc(O)cc45)C2(O)CC1C3CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E09 mock treatment 0.0144 0.0144 0.4 0.681 0.015 0.49 0.0199133141762458 0.0207586206896552 0.628911050988278 0.8774 0.9836 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E10 mock treatment 0.0234 0.0234 0.66 0.687 0.021 0.68 0.0209133141762458 0.0217586206896552 0.659207430520935 1.153 0.9999 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E11 compound treatment -0.0066 -0.00658 -0.18 0.688 0.022 0.71 -0.00408668582375426 -0.00324137931034484 -0.0982020577955118 0.2492 0.3348 3559551 ACon1_002310 C[C@H]1C[C@H]2OC(=O)C(=C2CC/C(=C/CC1=O)/C)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E12 compound treatment 0.0224 0.0224 0.63 0.663 -0.00299 -0.1 0.0149133141762458 0.0157586206896552 0.477429153324989 0.5823 0.7324 3616552 ACon1_002311 CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(=O)OC4OC(C)C(O)C(O)C4O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E13 compound treatment 0.0154 0.0154 0.43 0.679 0.013 0.42 0.0169133141762458 0.0177586206896552 0.538021912390304 0.8036 0.9937 3420076 ACon1_002312 CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E14 compound treatment 0.0054 0.00542 0.15 0.605 -0.061 -1.98 9.1331417624574E-4 0.00175862068965516 0.0532798398677773 -1.0244 -0.5158 3559755 ACon1_002313 CC1(CCCC(C)(C)C2C3CCC21)C3CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E15 compound treatment 0.0334 0.0334 0.94 0.686 0.02 0.65 0.0209133141762458 0.0217586206896552 0.659207430520935 1.2961 0.9846 3554678 ACon1_002314 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/[C@@H]1CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]3OC(=O)C[C@H]5\C(=C\C)\[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E16 compound treatment 0.0094 0.00942 0.26 0.599 -0.067 -2.17 0.00991331417624575 0.0107586206896552 0.325947255661698 -0.9146 -0.4131 3559326 ACon1_002315 CC(=CCC/C(=C/CC(O)/C(=C/Cc1cc(ccc1O)C(=O)O)/C)/C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E17 mock treatment 4.0E-4 4.2E-4 0.01 0.66 -0.00599 -0.19 -0.00608668582375426 -0.00524137931034484 -0.158794816860827 -0.1972 -0.7844 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E18 mock treatment 0.0144 0.0144 0.4 0.675 0.00901 0.29 0.0139133141762458 0.0147586206896552 0.447132773792331 0.66 0.9857 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E19 compound treatment -0.0076 -0.00757 -0.21 0.684 0.018 0.58 -0.00208668582375425 -0.00124137931034483 -0.0376092987301959 0.1931 0.3101 3553717 ACon1_002316 CC(CCCCC(O)C(CO)C(=O)OC(CCCCC(C)C/C(=C/C(=C/C(=O)O)/C)/C)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E20 compound treatment 0.0094 0.0094 0.26 0.669 0.00301 0.1 0.0109133141762458 0.0117586206896552 0.356243635194357 0.4142 0.9128 3616556 ACon1_002317 O=C(NCCCCNCCCNC(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E21 compound treatment 0.0094 0.0094 0.26 0.681 0.015 0.49 0.0109133141762458 0.0117586206896552 0.356243635194357 0.639 0.9705 3554770 ACon1_002318 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E22 compound treatment 0.0124 0.0124 0.35 0.668 0.00201 0.07 0.0139133141762458 0.0147586206896552 0.447132773792331 0.4965 0.8708 3616560 ACon1_002319 O[C@@H]1[C@@H](COC(=O)/C=C/C2(O)C=CC(=O)C=C2)O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@H]1OC(=O)/C=C/C4(O)C=CC(=O)C=C4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E23 compound treatment 0.0094 0.00942 0.26 0.674 0.00801 0.26 -0.0120866858237543 -0.0112413793103449 -0.340573094056776 0.1059 0.2104 1088382 ACon1_002320 CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 E24 compound treatment -0.0766 -0.0766 -2.15 0.58 -0.086 -2.79 -0.0260866858237543 -0.0252413793103449 -0.764722407513985 -3.2926 -0.9137 3616565 ACon1_002321 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F01 mock treatment -0.0146 -0.0146 -0.41 0.653 -0.013 -0.42 -0.00508668582375426 -0.00424137931034484 -0.12849843732817 -0.5537 -0.9209 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F02 mock treatment -0.0236 -0.0236 -0.66 0.656 -0.00999 -0.32 -0.00808668582375425 -0.00724137931034483 -0.219387575926143 -0.6955 -0.9054 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F03 compound treatment -0.0106 -0.0106 -0.3 0.67 0.00401 0.13 -0.0110866858237542 -0.0102413793103448 -0.310276714524115 -0.2752 -0.6137 3212153 ACon1_002322 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F04 mock treatment -0.0016 -0.00158 -0.04 0.658 -0.00799 -0.26 -0.0130866858237543 -0.0122413793103449 -0.370869473589433 -0.3895 -0.8564 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F05 compound treatment 0.0264 0.0264 0.74 0.559 -0.107 -3.47 0.0119133141762458 0.0127586206896552 0.386540014727015 -1.3543 -0.3792 3616570 ACon1_002323 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H]4CN5CCc6c([nH]c7ccccc67)[C@]5(C[C@@H]31)O4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F06 mock treatment -0.0086 -0.00859 -0.24 0.667 0.00101 0.03 0.0079133141762458 0.00875862068965522 0.265354496596384 0.033 0.0917 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F07 compound treatment -0.0983 -0.0983 -2.76 0.646 -0.02 -0.65 -0.0030866858237542 -0.00224137931034478 -0.0679056782628522 -2.0049 -0.7079 3616572 ACon1_002324 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC3OCC(O)C(O)C3O)O[C@@H](Oc4cc(O)c5C(=O)CC(Oc5c4)c6ccc(O)cc6)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F08 mock treatment -0.0256 -0.0256 -0.72 0.664 -0.00199 -0.06 -0.0080866858237542 -0.00724137931034478 -0.219387575926141 -0.5783 -0.7679 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F09 mock treatment -0.0146 -0.0146 -0.41 0.68 0.014 0.45 -0.0120866858237543 -0.0112413793103449 -0.340573094056776 -0.1705 -0.2436 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F10 mock treatment 0.0224 0.0224 0.63 0.667 0.00101 0.03 0.0039133141762458 0.00475862068965522 0.144168978465753 0.4647 0.7202 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F11 compound treatment -0.0096 -0.00958 -0.27 0.659 -0.00699 -0.23 -0.0230866858237543 -0.0222413793103449 -0.673833268916012 -0.6752 -0.8883 3616576 ACon1_002325 CC(=CCc1cc2C(=O)C(O)C(Oc2c3C(O)C(O)C(C)(C)Oc13)c4ccc(O)cc4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F12 mock treatment -0.0036 -0.00357 -0.1 0.647 -0.019 -0.62 -0.00908668582375425 -0.00824137931034483 -0.249683955458801 -0.5579 -0.8294 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F13 compound treatment 0.0034 0.00341 0.1 0.631 -0.035 -1.14 0.0089133141762458 0.00975862068965522 0.295650876129042 -0.4298 -0.365 3616580 ACon1_002326 COc1cc(CC2COC(C2COC3OC(CO)C(O)C(O)C3O)c4ccc(O)c(OC)c4)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F14 mock treatment 0.0024 0.00242 0.07 0.662 -0.00399 -0.13 -0.0130866858237543 -0.0122413793103449 -0.370869473589433 -0.2498 -0.6266 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F15 compound treatment -0.0076 -0.00757 -0.21 0.676 0.01 0.32 0.00191331417624576 0.00275862068965518 0.0835762194004357 0.1132 0.2852 2090754 ACon1_002327 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F16 mock treatment 0.0094 0.0094 0.26 0.663 -0.00299 -0.1 0.0059133141762458 0.00675862068965522 0.204761737531068 0.2143 0.6165 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F17 mock treatment 0.0054 0.0054 0.15 0.668 0.00201 0.07 0.0019133141762458 0.00275862068965522 0.0835762194004369 0.1732 0.9377 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F18 mock treatment -0.0066 -0.00657 -0.18 0.688 0.022 0.71 -0.0110866858237543 -0.0102413793103449 -0.310276714524118 0.1268 0.1585 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F19 compound treatment 0.0114 0.0114 0.32 0.663 -0.00299 -0.1 0.0149133141762458 0.0157586206896552 0.477429153324989 0.4041 0.6935 3559435 ACon1_002328 COc1c2occc2c(OCC(OC(=O)/C(=C\C)/C)C(C)(C)O)c3ccc(=O)oc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F20 mock treatment 0.0104 0.0104 0.29 0.669 0.00301 0.1 0.0109133141762458 0.0117586206896552 0.356243635194357 0.4307 0.9145 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F21 compound treatment 4.0E-4 4.19E-4 0.01 0.666 6.8E-6 0.0 -0.0250866858237543 -0.0242413793103449 -0.734426027981327 -0.4171 -0.5679 3558554 ACon1_002329 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F22 mock treatment -0.0046 -0.00457 -0.13 0.678 0.012 0.39 0.00691331417624576 0.00775862068965518 0.235058117063725 0.2867 0.6064 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F23 compound treatment 0.0154 0.0154 0.43 0.634 -0.032 -1.04 -0.0030866858237542 -0.00224137931034478 -0.0679056782628522 -0.3894 -0.3457 3616583 ACon1_002330 OC(=O)c1cc(O)c(O)c(O)c1Oc2cc3C(=O)OC[C@H]4O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@@H](OC(=O)c7cc(O)c(O)c(O)c7)[C@@H]4OC(=O)c8cc(O)c(O)c(O)c8-c3c(O)c2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 F24 mock treatment -0.0516 -0.0516 -1.45 0.642 -0.024 -0.78 -0.00508668582375425 -0.00424137931034483 -0.128498437328169 -1.3586 -0.8247 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G01 compound treatment 0.0194 0.0194 0.54 0.664 -0.00199 -0.06 0.00891331417624575 0.00975862068965517 0.29565087612904 0.4474 0.7187 3557489 ACon1_002331 CC12CC3(CC2C1CC34)CC(O)C5C(C)(CO)CCCC45C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G02 compound treatment 0.0054 0.00543 0.15 0.679 0.013 0.42 9.1331417624574E-4 0.00175862068965516 0.0532798398677773 0.3624 0.8019 3557405 ACon1_002332 CCCC(O)C(O)C1CC(=CC(=O)O1)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G03 mock treatment 0.0044 0.00442 0.12 0.679 0.013 0.42 -8.66858237542597E-5 7.58620689655163E-4 0.0229834603351195 0.3285 0.7457 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G04 mock treatment 0.0304 0.0304 0.85 0.674 0.00801 0.26 0.0229133141762458 0.0237586206896552 0.719800189586251 1.0578 0.9234 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G05 compound treatment 0.0244 0.0244 0.68 0.693 0.027 0.88 0.0179133141762458 0.0187586206896552 0.568318291922962 1.2291 0.9843 3554767 ACon1_002333 COc1c(O)c2c(CCC3C(C)(C)CCC[C@@]32C(=O)O)cc1C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G06 compound treatment 0.0124 0.0124 0.35 0.696 0.03 0.97 0.0169133141762458 0.0177586206896552 0.538021912390304 1.0736 0.921 3616588 ACon1_002334 COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G07 compound treatment 0.0194 0.0194 0.54 0.683 0.017 0.55 0.0209133141762458 0.0217586206896552 0.659207430520935 1.0133 0.996 1034509 ACon1_002335 Cc1cc(=O)c2COc3cc(O)c(O)c(C(=O)O)c3-c2o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G08 compound treatment 0.0314 0.0314 0.88 0.687 0.021 0.68 0.0259133141762458 0.0267586206896552 0.810689328184224 1.3699 0.9946 3552648 ACon1_002336 C[C@@H]1C[C@H](O)/C=C/[C@H](O)[C@@H](O)CC(=O)O1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G09 compound treatment 0.0224 0.0224 0.63 0.695 0.029 0.94 0.0139133141762458 0.0147586206896552 0.447132773792331 1.1642 0.9568 3557256 ACon1_002337 CC(=O)c1c(O)cc(O)cc1CC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G10 compound treatment 0.0144 0.0144 0.4 0.69 0.024 0.78 0.00791331417624574 0.00875862068965516 0.265354496596382 0.8366 0.9122 3555790 ACon1_002338 O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N4CCCC41 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G11 compound treatment 0.0194 0.0194 0.54 0.676 0.01 0.32 0.0139133141762458 0.0147586206896552 0.447132773792331 0.7597 0.9797 3616592 ACon1_002339 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G12 compound treatment 0.0304 0.0304 0.85 0.695 0.029 0.94 0.0269133141762458 0.0277586206896552 0.840985707716882 1.5211 0.9987 3616597 ACon1_002340 CCCC1(O)Cc2c(O1)c3c(O)cccc3cc2C(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G13 compound treatment 0.0374 0.0374 1.05 0.686 0.02 0.65 0.0289133141762458 0.0297586206896552 0.901578466782198 1.5008 0.9824 3558181 ACon1_002341 COc1cc(ccc1O)C2OCC3C(OC(=O)C23)c4ccc5OCOc5c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G14 compound treatment 0.0214 0.0214 0.6 0.687 0.021 0.68 0.0169133141762457 0.0177586206896551 0.538021912390301 1.0508 0.9953 1029487 ACon1_002342 OCC(O)Cc1ccc2OCOc2c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G15 compound treatment 0.0284 0.0284 0.8 0.694 0.028 0.91 0.0089133141762458 0.00975862068965522 0.295650876129042 1.1552 0.9286 3553721 ACon1_002343 CC(CCCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G16 compound treatment 4.0E-4 4.19E-4 0.01 0.671 0.00501 0.16 0.00791331417624574 0.00875862068965516 0.265354496596382 0.2538 0.8151 3554667 ACon1_002344 COC(=O)C1(CO)C2Cc3c(C4CC1/C(=C\C)/CN42)n(C)c5ccccc35 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G17 compound treatment 0.0334 0.0334 0.94 0.696 0.03 0.97 0.0289133141762458 0.0297586206896552 0.901578466782198 1.6234 0.9995 3558054 ACon1_002345 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\CO)/[C@@H]1CC(=O)OCCc3ccc(O)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G18 compound treatment 0.0154 0.0154 0.43 0.683 0.017 0.55 0.0149133141762458 0.0157586206896552 0.477429153324989 0.8436 0.9949 3553083 ACon1_002346 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5CC(CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)N9C[C@@H](C)CC[C@H]19 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G19 mock treatment 0.0304 0.0304 0.85 0.677 0.011 0.36 0.0249133141762458 0.0257586206896552 0.780392948651567 1.1489 0.9498 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G20 mock treatment -0.0046 -0.0046 -0.13 0.684 0.018 0.58 -0.00108668582375426 -2.41379310344837E-4 -0.00731291919753837 0.2587 0.4322 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G21 compound treatment 0.0194 0.0194 0.54 0.683 0.017 0.55 0.0179133141762458 0.0187586206896552 0.568318291922962 0.9608 0.9998 3557521 ACon1_002347 COc1cc(/C=C/C(=O)OC2C(O)C(O)C(OC3(CO)OC(CO)C(O)C3O)OC2COC(=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G22 compound treatment -0.0216 -0.0216 -0.6 0.667 0.00101 0.03 -0.00508668582375426 -0.00424137931034484 -0.12849843732817 -0.4045 -0.6533 3557725 ACon1_002348 OC[C@H]1OC(Oc2cc(O)c3c(=O)c(O)c(oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G23 compound treatment 0.0144 0.0144 0.4 0.687 0.021 0.68 0.0119133141762458 0.0127586206896552 0.386540014727015 0.8502 0.9641 3558206 ACon1_002349 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c6ccc(O)cc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 G24 compound treatment -0.0096 -0.0096 -0.27 0.671 0.00501 0.16 -0.00308668582375426 -0.00224137931034484 -0.067905678262854 -0.1008 -0.3133 1011276 ACon1_002350 COc1ccc2CC3N(C)CCc4cc5OCOc5c(c34)-c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H01 compound treatment 0.0184 0.0184 0.52 0.669 0.00301 0.1 0.0129133141762457 0.0137586206896551 0.41683639425967 0.5951 0.8872 3616603 ACon1_002351 O[C@H]1[C@H](O)[C@@H](COC(=O)CC(=O)O)O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H02 mock treatment 0.0024 0.00243 0.07 0.686 0.02 0.65 -0.0010866858237543 -2.41379310344877E-4 -0.00731291919753959 0.41 0.6279 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H03 mock treatment -6.0E-4 -5.81E-4 -0.02 0.672 0.00601 0.19 0.0109133141762458 0.0117586206896552 0.356243635194357 0.3088 0.7599 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H04 mock treatment 0.0154 0.0154 0.43 0.68 0.014 0.45 0.00991331417624575 0.0107586206896552 0.325947255661698 0.7002 0.9905 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H05 compound treatment 0.0154 0.0154 0.43 0.685 0.019 0.62 0.0129133141762458 0.0137586206896552 0.416836394259673 0.8461 0.9831 3616608 ACon1_002352 COC(=O)C1=CC(=C[C@H]2[C@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H06 mock treatment 0.0114 0.0114 0.32 0.676 0.01 0.32 0.0159133141762458 0.0167586206896552 0.507725532857646 0.6652 0.975 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H07 compound treatment 0.0144 0.0144 0.4 0.699 0.033 1.07 0.0189133141762458 0.0197586206896552 0.59861467145562 1.1972 0.9267 3616611 ACon1_002353 CC(C)(CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]3C(=CC[C@]4(C(=O)O)C3=CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@]54C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H08 mock treatment -6.0E-4 -5.81E-4 -0.02 0.674 0.00801 0.26 -0.00808668582375425 -0.00724137931034483 -0.219387575926143 0.014 0.041 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H09 compound treatment 0.0204 0.0204 0.57 0.674 0.00801 0.26 0.0159133141762458 0.0167586206896552 0.507725532857646 0.7734 0.9575 3616613 ACon1_002354 Oc1ccccc1Cc2c(O)cc(O)c3C(=O)C[C@@H](Oc23)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H10 mock treatment 0.0164 0.0164 0.46 0.701 0.035 1.14 0.00691331417624576 0.00775862068965518 0.235058117063725 1.0574 0.8472 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H11 compound treatment -0.0396 -0.0396 -1.11 0.676 0.01 0.32 0.00591331417624574 0.00675862068965516 0.204761737531066 -0.3348 -0.2852 3558021 ACon1_002355 OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H12 mock treatment 0.0124 0.0124 0.35 0.678 0.012 0.39 0.00791331417624576 0.00875862068965518 0.265354496596383 0.5792 0.9883 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H13 compound treatment 0.0274 0.0274 0.77 0.678 0.012 0.39 0.0149133141762458 0.0157586206896552 0.477429153324989 0.9441 0.9587 3616618 ACon1_002356 CC(O)CCCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H14 mock treatment 0.0224 0.0224 0.63 0.688 0.022 0.71 0.0159133141762458 0.0167586206896552 0.507725532857646 1.0681 0.9907 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H15 compound treatment 0.0154 0.0154 0.43 0.683 0.017 0.55 0.0139133141762458 0.0147586206896552 0.447132773792331 0.8264 0.9938 3616621 ACon1_002357 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H16 mock treatment 0.0164 0.0164 0.46 0.677 0.011 0.36 0.00991331417624575 0.0107586206896552 0.325947255661698 0.6599 0.9889 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H17 compound treatment 0.0224 0.0224 0.63 0.677 0.011 0.36 0.0209133141762458 0.0217586206896552 0.659207430520935 0.9494 0.9707 3559631 ACon1_002358 COc1ccc(OC)c(/C=C/C(=O)O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H18 mock treatment 0.0114 0.0114 0.32 0.669 0.00301 0.1 0.00391331417624576 0.00475862068965518 0.144168978465751 0.3244 0.8902 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H19 mock treatment 0.0234 0.0234 0.66 0.682 0.016 0.52 0.0199133141762458 0.0207586206896552 0.628911050988278 1.0418 0.9952 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H20 mock treatment 0.0104 0.0104 0.29 0.673 0.00701 0.23 0.0139133141762458 0.0147586206896552 0.447132773792331 0.5581 0.9614 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H21 compound treatment 0.0124 0.0124 0.35 0.675 0.00901 0.29 0.0129133141762457 0.0137586206896551 0.41683639425967 0.6105 0.9897 3559126 ACon1_002359 CO[C@]1(OC[C@@H]2[C@H](OC[C@@]21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H22 mock treatment 0.0144 0.0144 0.4 0.672 0.00601 0.19 0.0109133141762458 0.0117586206896552 0.356243635194357 0.5516 0.9627 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H23 compound treatment 0.0184 0.0184 0.52 0.697 0.031 1.01 0.0129133141762457 0.0137586206896551 0.41683639425967 1.12 0.929 3558476 ACon1_002360 COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 H24 mock treatment 0.0234 0.0234 0.66 0.677 0.011 0.36 0.0169133141762458 0.0177586206896552 0.538021912390304 0.8956 0.9729 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I01 compound treatment 0.0074 0.00742 0.21 0.653 -0.013 -0.42 -0.00108668582375426 -2.41379310344837E-4 -0.00731291919753837 -0.1276 -0.2713 1086162 ACon1_002361 COc1c2ccoc2c(OC)c3oc(=O)ccc13 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I02 compound treatment -0.0136 -0.0136 -0.38 0.669 0.00301 0.1 -0.0130866858237543 -0.0122413793103449 -0.370869473589433 -0.3779 -0.6988 3557472 ACon1_002362 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(O)c3C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I03 compound treatment 0.0104 0.0104 0.29 0.669 0.00301 0.1 0.00591331417624575 0.00675862068965517 0.204761737531067 0.3432 0.928 3553181 ACon1_002363 CC(=C1CC[C@@]2(CO[C@@H]3C2)C1CC[C@]3(O)C(=O)O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I04 compound treatment -0.0136 -0.0136 -0.38 0.655 -0.011 -0.36 -0.0210866858237543 -0.0202413793103449 -0.613240509850696 -0.78 -0.9686 3616624 ACon1_002364 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(C)NC(=O)/C=C/C(=O)O)C(C)c3c[nH]c4ccccc34 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I05 mock treatment -0.0026 -0.00258 -0.07 0.687 0.021 0.68 -0.00308668582375425 -0.00224137931034483 -0.0679056782628537 0.3127 0.4538 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I06 mock treatment -0.0116 -0.0116 -0.33 0.666 6.8E-6 0.0 -0.0090866858237543 -0.00824137931034488 -0.249683955458802 -0.3318 -0.8092 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I07 compound treatment 4.0E-4 4.19E-4 0.01 0.679 0.013 0.42 -0.00508668582375425 -0.00424137931034483 -0.128498437328169 0.1763 0.3994 3616627 ACon1_002365 C[C@H]1[C@H](O)CCC2=C[C@@H](O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I08 compound treatment -6.0E-4 -5.81E-4 -0.02 0.658 -0.00799 -0.26 -0.00308668582375426 -0.00224137931034484 -0.067905678262854 -0.1984 -0.7385 3557433 ACon1_002366 C[C@]1([C@H](O)CC(=O)c2coc3C(=O)c4c5CCC(=O)c5ccc41)c23 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I09 compound treatment 0.0194 0.0194 0.54 0.665 -9.93E-4 -0.03 0.0159133141762458 0.0167586206896552 0.507725532857646 0.5885 0.7903 3554518 ACon1_002367 CO[C@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I10 compound treatment 0.0044 0.00443 0.12 0.673 0.00701 0.23 0.00791331417624574 0.00875862068965516 0.265354496596382 0.3562 0.9604 3616630 ACon1_002368 COc1cc2oc(C)cc(=O)c2c(O)c1CSCC(O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I11 compound treatment -6.0E-4 -6.01E-4 -0.02 0.679 0.013 0.42 -0.0010866858237543 -2.41379310344877E-4 -0.00731291919753959 0.2298 0.5438 3558142 ACon1_002369 OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I12 compound treatment -0.0186 -0.0186 -0.52 0.653 -0.013 -0.42 -0.00808668582375425 -0.00724137931034483 -0.219387575926143 -0.6709 -0.9513 3616631 ACon1_002370 C/C=C/CCCCC(=O)C(C)C(=O)N1CCC=C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I13 compound treatment 0.0114 0.0114 0.32 0.672 0.00601 0.19 0.00891331417624581 0.00975862068965523 0.295650876129042 0.4678 0.9806 3554843 ACon1_002371 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C)c2)c(OC)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I14 compound treatment 0.0024 0.00242 0.07 0.669 0.00301 0.1 -0.0020866858237543 -0.00124137931034488 -0.0376092987301974 0.0738 0.5919 1403 ACon1_002372 COC(=O)C1=CCCN(C)C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I15 compound treatment -0.0106 -0.0106 -0.3 0.67 0.00401 0.13 -0.0160866858237543 -0.0152413793103449 -0.461758612187407 -0.3631 -0.6435 3552057 ACon1_002373 C/C=C/C(O)C(C)CC(C)C(OC(=O)CCC(=O)O)C(C)/C=C/C=C/C=C(\C)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I16 compound treatment -0.0146 -0.0146 -0.41 0.665 -9.93E-4 -0.03 -0.0170866858237543 -0.0162413793103449 -0.492054991720065 -0.5387 -0.8411 3554656 ACon1_002374 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@H](OC(=O)C)C5[C@@](C)(C=CC(=O)[C@]15C)C(=O)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I17 compound treatment 0.0154 0.0154 0.43 0.662 -0.00399 -0.13 0.0129133141762458 0.0137586206896552 0.416836394259673 0.4151 0.6761 3551981 ACon1_002375 C/C(=C\CCC1(C)C2CCC(C2)C1(C)O)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I18 compound treatment 0.0174 0.0174 0.49 0.663 -0.00299 -0.1 0.0169133141762458 0.0177586206896552 0.538021912390304 0.5362 0.7318 3616633 ACon1_002376 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5ccc(OC)c(OC)c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I19 compound treatment -0.0016 -0.00158 -0.04 0.68 0.014 0.45 -0.00908668582375425 -0.00824137931034483 -0.249683955458801 0.0927 0.1781 3559399 ACon1_002377 OC[C@H]1O[C@@H](O[C@H](C#N)c2ccccc2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I20 compound treatment 0.0024 0.00242 0.07 0.671 0.00501 0.16 0.00391331417624576 0.00475862068965518 0.144168978465751 0.2162 0.9501 3616634 ACon1_002378 CC(CC(C)OC(=O)/C=C/c1ccc(O)cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I21 mock treatment 0.0164 0.0164 0.46 0.663 -0.00299 -0.1 0.0129133141762458 0.0137586206896552 0.416836394259673 0.4503 0.7165 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I22 mock treatment 0.0094 0.00942 0.26 0.681 0.015 0.49 0.00291331417624574 0.00375862068965516 0.113872598933093 0.4994 0.8829 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I23 compound treatment 0.0184 0.0184 0.52 0.611 -0.055 -1.78 0.0179133141762458 0.0187586206896552 0.568318291922962 -0.4045 -0.2082 3559277 ACon1_002379 CC(=O)C12CC(CCC2(C)CCC1O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 I24 compound treatment 4.0E-4 4.19E-4 0.01 0.639 -0.027 -0.88 -0.0100866858237543 -0.00924137931034488 -0.27998033499146 -0.6607 -0.7183 3616636 ACon1_002380 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](OC(=O)/C=C/C3(O)C=CC(=O)C=C3)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J01 compound treatment -0.0146 -0.0146 -0.41 0.65 -0.016 -0.52 -0.0190866858237543 -0.0182413793103449 -0.55264775078538 -0.8551 -0.9924 3616638 ACon1_002381 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3(C)Oc4cc5occ(c6ccc(O)cc6)c(=O)c5c(O)c4C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J02 mock treatment -0.0296 -0.0296 -0.83 0.654 -0.012 -0.39 -0.0410866858237543 -0.0402413793103449 -1.21916810050385 -1.4076 -0.9229 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J03 compound treatment -0.0146 -0.0146 -0.41 0.633 -0.033 -1.07 -0.0180866858237543 -0.0172413793103449 -0.522351371252722 -1.1561 -0.9177 3616640 ACon1_002382 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccccc3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J04 mock treatment -0.0076 -0.00758 -0.21 0.655 -0.011 -0.36 -0.0060866858237543 -0.00524137931034488 -0.158794816860829 -0.4204 -0.9455 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J05 mock treatment -0.0196 -0.0196 -0.55 0.66 -0.00599 -0.19 -0.0070866858237543 -0.00624137931034488 -0.189091196393486 -0.5388 -0.8791 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J06 mock treatment -0.0106 -0.0106 -0.3 0.67 0.00401 0.13 -0.00408668582375426 -0.00324137931034484 -0.0982020577955118 -0.1532 -0.452 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J07 compound treatment -0.0576 -0.0576 -1.61 0.588 -0.078 -2.53 -0.0410866858237543 -0.0402413793103449 -1.21916810050385 -3.0977 -0.9559 3616641 ACon1_002383 CC1(CO)C(CCC2(C)C1CCC3(C)C2CC=C4C5CC(=C)CCC5(CCC43C)C(=O)OC6OC(CO)C(O)C(O)C6OC7OCC(O)C(O)C7O)OC8OC(CO)C(O)C(O)C8O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J08 mock treatment -0.0036 -0.00358 -0.1 0.656 -0.00999 -0.32 -0.00108668582375425 -2.41379310344827E-4 -0.00731291919753807 -0.2495 -0.7346 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J09 compound treatment 0.0064 0.00642 0.18 0.665 -9.93E-4 -0.03 -8.66858237542597E-5 7.58620689655163E-4 0.0229834603351195 0.0986 0.5349 3616643 ACon1_002384 COc1cc(cc2CC(Oc21)C(=C)C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J10 mock treatment -0.0206 -0.0206 -0.58 0.657 -0.00899 -0.29 -0.0130866858237543 -0.0122413793103449 -0.370869473589433 -0.7161 -0.9601 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J11 compound treatment -0.0036 -0.00358 -0.1 0.669 0.00301 0.1 -0.104086685823754 -0.103241379310345 -3.12784001106129 -1.8075 -0.5773 3616644 ACon1_002385 CC(=CCc1cc2[C@@H]3COc4c(O)c(O)ccc4[C@@H]3Oc2cc1O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J12 mock treatment -0.0086 -0.0086 -0.24 0.664 -0.00199 -0.06 -0.0080866858237543 -0.00724137931034488 -0.219387575926144 -0.3032 -0.9124 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J13 compound treatment -0.0336 -0.0336 -0.94 0.658 -0.00799 -0.26 -0.0240866858237543 -0.0232413793103449 -0.704129648448669 -1.1002 -0.9135 3616646 ACon1_002386 O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)c3coc4cc(O)ccc4c3=O)O[C@@H]([C@H]1O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J14 mock treatment -0.0076 -0.0076 -0.21 0.661 -0.00499 -0.16 -0.0080866858237543 -0.00724137931034488 -0.219387575926144 -0.3433 -0.9917 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J15 compound treatment 0.0044 0.00442 0.12 0.656 -0.00999 -0.32 0.00391331417624574 0.00475862068965516 0.144168978465751 -0.0325 -0.0864 3616648 ACon1_002387 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@H](CO)O[C@H]4OC(=O)[C@@]56CCC(C)(C)C[C@H]6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J16 mock treatment -0.0106 -0.0106 -0.3 0.651 -0.015 -0.49 -0.0100866858237543 -0.00924137931034488 -0.27998033499146 -0.6142 -0.9669 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J17 compound treatment -0.0066 -0.00658 -0.18 0.65 -0.016 -0.52 -0.00608668582375425 -0.00524137931034483 -0.158794816860827 -0.4979 -0.8685 3557669 ACon1_002388 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](O)C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@]61OCC(=C)[C@H](O)[C@@H]6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J18 mock treatment -0.0146 -0.0146 -0.41 0.661 -0.00499 -0.16 -0.00108668582375426 -2.41379310344837E-4 -0.00731291919753837 -0.3337 -0.759 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J19 compound treatment 0.0084 0.00842 0.24 0.665 -9.93E-4 -0.03 0.00991331417624575 0.0107586206896552 0.325947255661698 0.3059 0.7576 3559791 ACon1_002389 COc1ccc(cc1)C(=O)O[C@H]2CC(=CC[C@@]3(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]23)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J20 mock treatment 0.0134 0.0134 0.38 0.674 0.00801 0.26 0.00791331417624576 0.00875862068965518 0.265354496596383 0.5204 0.9845 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J21 mock treatment -6.0E-4 -5.79E-4 -0.02 0.678 0.012 0.39 -0.00608668582375425 -0.00524137931034483 -0.158794816860827 0.1239 0.2943 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J22 mock treatment 0.0054 0.00542 0.15 0.653 -0.013 -0.42 -0.00308668582375426 -0.00224137931034484 -0.067905678262854 -0.195 -0.43 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J23 mock treatment -0.0436 -0.0436 -1.22 0.659 -0.00699 -0.23 -0.0060866858237543 -0.00524137931034488 -0.158794816860829 -0.9283 -0.7408 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 J24 mock treatment 0.0044 0.00442 0.12 0.665 -9.93E-4 -0.03 0.00291331417624576 0.00375862068965518 0.113872598933094 0.1186 0.6926 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K01 compound treatment 0.0234 0.0234 0.66 0.666 6.8E-6 0.0 0.0309133141762458 0.0317586206896552 0.962171225847514 0.9344 0.8024 3554199 ACon1_002390 CCc1c(O)cc(O)c2C(=O)C[C@@H](C)Oc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K02 compound treatment 0.0064 0.00643 0.18 0.664 -0.00199 -0.06 -0.0260866858237543 -0.0252413793103449 -0.764722407513985 -0.3748 -0.4754 3559924 ACon1_002391 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CC(=O)OC2O)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K03 compound treatment 0.0154 0.0154 0.43 0.666 6.8E-6 0.0 0.0119133141762458 0.0127586206896552 0.386540014727015 0.473 0.8154 3558269 ACon1_002392 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K04 compound treatment -6.0E-4 -6.01E-4 -0.02 0.668 0.00201 0.07 -0.0040866858237543 -0.00324137931034488 -0.098202057795513 -0.0288 -0.2422 3559641 ACon1_002393 O/C(=C\C(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K05 compound treatment 0.0114 0.0114 0.32 0.691 0.025 0.81 0.00991331417624576 0.0107586206896552 0.325947255661698 0.8416 0.9036 3554959 ACon1_002394 COc1cc(O)c(C(=O)C)c(CC(=O)O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K06 compound treatment 0.0184 0.0184 0.52 0.684 0.018 0.58 0.0189133141762458 0.0197586206896552 0.59861467145562 0.9808 0.998 3616650 ACon1_002395 COc1cc(oc(=O)c1C)/C(=C/C(C)O)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K07 mock treatment -0.0066 -0.0066 -0.19 0.694 0.028 0.91 -0.00208668582375425 -0.00124137931034483 -0.0376092987301959 0.3962 0.4268 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K08 mock treatment -0.0016 -0.00158 -0.04 0.689 0.023 0.75 0.00191331417624574 0.00275862068965516 0.0835762194004351 0.4537 0.6029 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K09 compound treatment 0.0214 0.0214 0.6 0.678 0.012 0.39 0.0129133141762457 0.0137586206896551 0.41683639425967 0.8125 0.9806 3559867 ACon1_002396 COc1c(O)cc2CCNC3Cc4ccccc4-c1c32 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K10 compound treatment 0.0124 0.0124 0.35 0.679 0.013 0.42 0.00991331417624575 0.0107586206896552 0.325947255661698 0.6329 0.9937 3616653 ACon1_002397 CC(CCO)/C=C(/C)\C=C\C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K11 compound treatment 0.0204 0.0204 0.57 0.693 0.027 0.88 0.0309133141762458 0.0317586206896552 0.962171225847514 1.3918 0.979 3558744 ACon1_002398 COc1cc(/C=C/CO)cc(OC)c1OC\C=C(/C)\CCC=C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K12 compound treatment 0.0204 0.0204 0.57 0.682 0.016 0.52 0.0149133141762457 0.0157586206896551 0.477429153324985 0.9058 0.9973 3616654 ACon1_002399 CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K13 compound treatment -0.0066 -0.0066 -0.19 0.681 0.015 0.49 -0.0110866858237543 -0.0102413793103449 -0.310276714524118 -0.0048 -0.0079 3557992 ACon1_002400 C[C@@H]1C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@@H](C[C@@H]3[C@@H](OC(=O)C)[C@]12OC3(C)C)OC(=O)c4ccccc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K14 compound treatment 0.0274 0.0274 0.77 0.688 0.022 0.71 0.0239133141762458 0.0247586206896552 0.750096569118909 1.2891 0.9995 2732 ACon1_002401 Cc1cc(=O)oc2cc(O)ccc12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K15 mock treatment 0.0294 0.0294 0.82 0.694 0.028 0.91 0.0249133141762458 0.0257586206896552 0.780392948651567 1.4512 0.998 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K16 mock treatment 0.0144 0.0144 0.4 0.684 0.018 0.58 0.0149133141762458 0.0157586206896552 0.477429153324989 0.8461 0.9887 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K17 compound treatment 0.0104 0.0104 0.29 0.682 0.016 0.52 -0.0160866858237543 -0.0152413793103449 -0.461758612187407 0.2021 0.2681 3554976 ACon1_002402 COc1cc(O)c(Oc2cc(C)cc(O)c2C(=O)O)c(CO)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K18 compound treatment 0.0224 0.0224 0.63 0.672 0.00601 0.19 0.0219133141762458 0.0227586206896552 0.689503810053593 0.8732 0.9165 3616656 ACon1_002403 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)/C=C/c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K19 compound treatment 0.0134 0.0134 0.38 0.671 0.00501 0.16 0.0319133141762457 0.0327586206896551 0.992467605380168 0.884 0.8233 3559928 ACon1_002404 COC1OC(=O)C(=C1)CCC2(C)C/C=C\C=C(\C(=O)O)/C(=C)CCC2C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K20 compound treatment -0.0076 -0.00758 -0.21 0.672 0.00601 0.19 -0.00408668582375425 -0.00324137931034483 -0.0982020577955115 -0.0668 -0.2194 3558737 ACon1_002405 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K21 compound treatment -0.0076 -0.00758 -0.21 0.648 -0.018 -0.58 -0.00608668582375425 -0.00524137931034483 -0.158794816860827 -0.5515 -0.8599 3557421 ACon1_002406 Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K22 compound treatment 0.0134 0.0134 0.38 0.682 0.016 0.52 0.0109133141762458 0.0117586206896552 0.356243635194357 0.7228 0.9852 3616657 ACon1_002407 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC6OC(CO)C(O)C(O)C6O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K23 mock treatment -0.0056 -0.00559 -0.16 0.68 0.014 0.45 0.0109133141762458 0.0117586206896552 0.356243635194357 0.3776 0.631 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 K24 mock treatment 0.0074 0.00742 0.21 0.683 0.017 0.55 0.00391331417624576 0.00475862068965518 0.144168978465751 0.522 0.8597 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L01 compound treatment -0.0186 -0.0186 -0.52 0.659 -0.00699 -0.23 -0.0220866858237543 -0.0212413793103449 -0.643536889383354 -0.8037 -0.9358 3616659 ACon1_002408 C/C(=C\CCC(=C)C1(O)CCC(=CC1)C)/C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L02 mock treatment -0.37 -0.37 -10.37 0.667 0.00101 0.03 -0.00808668582375425 -0.00724137931034483 -0.219387575926143 -6.0969 -0.5876 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L03 compound treatment -6.0E-4 -5.81E-4 -0.02 0.686 0.02 0.65 0.0149133141762457 0.0157586206896551 0.477429153324985 0.6411 0.7953 3616661 ACon1_002409 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc3O[C@@H]([C@@H](Oc3c2)C(=O)O)c4ccc(O)c(O)c4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L04 mock treatment -0.0016 -0.00158 -0.04 0.648 -0.018 -0.58 -0.00408668582375426 -0.00324137931034484 -0.0982020577955118 -0.4194 -0.7064 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L05 compound treatment 0.0064 0.00642 0.18 0.675 0.00901 0.29 -0.00108668582375425 -2.41379310344827E-4 -0.00731291919753807 0.2685 0.7819 3616663 ACon1_002410 COC(=O)C1CC(=O)C[C@@H]2[C@@]1(C)CC[C@@H]3C(=O)O[C@@H](C[C@]32C)c4ccoc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L06 mock treatment 0.0184 0.0184 0.52 0.669 0.00301 0.1 0.0159133141762458 0.0167586206896552 0.507725532857646 0.6473 0.8863 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L07 mock treatment 0.0024 0.00242 0.07 0.662 -0.00399 -0.13 -0.00208668582375425 -0.00124137931034483 -0.0376092987301959 -0.0574 -0.38 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L08 mock treatment 0.0074 0.00742 0.21 0.656 -0.00999 -0.32 -0.00108668582375424 -2.41379310344817E-4 -0.00731291919753777 -0.0714 -0.1852 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L09 compound treatment 0.0224 0.0224 0.63 0.675 0.00901 0.29 0.0109133141762458 0.0117586206896552 0.356243635194357 0.737 0.9462 3616665 ACon1_002411 C/C(=C\CCC(C)(OC1OCC(O)C(O)C1OC(=O)\C(=C\CCC(C)(O)C=C)\C)C=C)/C(=O)OC2CC3(C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(=O)OC%10OCC(OC%11OC(CO)C(O)C(OC%12OC(CO)C(OC%13OC(CO)C(O)C(O)C%13O)C(O)C%12O)C%11O)C(O)C%10O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L10 mock treatment -6.0E-4 -6.01E-4 -0.02 0.677 0.011 0.36 -0.00908668582375429 -0.00824137931034487 -0.249683955458802 0.0524 0.12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L11 compound treatment -6.0E-4 -5.81E-4 -0.02 0.681 0.015 0.49 0.00391331417624574 0.00475862068965516 0.144168978465751 0.355 0.6986 3616667 ACon1_002412 CC1OC(OC2C(O)C(O)C(C)OC2OC3(C)CC(OC4OC(CO)C(O)C(OC(=O)C)C4O)C5C(CCC6C(C)(C)CCCC65C)O3)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L12 mock treatment 0.0094 0.00942 0.26 0.677 0.011 0.36 0.00491331417624576 0.00575862068965518 0.174465357998409 0.4594 0.9626 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L13 compound treatment 0.0154 0.0154 0.43 0.677 0.011 0.36 0.0109133141762458 0.0117586206896552 0.356243635194357 0.6615 0.9957 3558283 ACon1_002413 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]%111CCC(C)CO%11 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L14 mock treatment 0.0054 0.00542 0.15 0.671 0.00501 0.16 0.00391331417624574 0.00475862068965516 0.144168978465751 0.2648 0.9988 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L15 mock treatment 0.0174 0.0174 0.49 0.674 0.00801 0.26 0.0159133141762458 0.0167586206896552 0.507725532857646 0.7251 0.9657 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L16 mock treatment 0.0044 0.00442 0.12 0.665 -9.93E-4 -0.03 0.00591331417624576 0.00675862068965518 0.204761737531067 0.1712 0.7087 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L17 compound treatment 0.0084 0.0084 0.24 0.695 0.029 0.94 0.0179133141762458 0.0187586206896552 0.568318291922962 1.0076 0.896 3559686 ACon1_002414 COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc3ccc(O)c(OC)c3)cc1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L18 mock treatment 0.0174 0.0174 0.49 0.665 -9.93E-4 -0.03 0.0189133141762458 0.0197586206896552 0.59861467145562 0.6086 0.7875 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L19 compound treatment -0.0036 -0.00358 -0.1 0.68 0.014 0.45 0.00891331417624576 0.00975862068965518 0.29565087612904 0.3752 0.6803 3557479 ACon1_002415 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L20 mock treatment 0.0114 0.0114 0.32 0.676 0.01 0.32 0.00991331417624576 0.0107586206896552 0.325947255661698 0.5605 1.0 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L21 compound treatment -0.0056 -0.00558 -0.16 0.679 0.013 0.42 -0.00108668582375426 -2.41379310344837E-4 -0.00731291919753837 0.1491 0.3313 3558013 ACon1_002416 CC(=O)O[C@H]1CC(C)(C)CC2[C@@]31CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L22 mock treatment 0.0134 0.0134 0.38 0.677 0.011 0.36 0.0109133141762458 0.0117586206896552 0.356243635194357 0.6291 0.9997 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L23 mock treatment 0.0164 0.0164 0.46 0.679 0.013 0.42 0.0069133141762458 0.00775862068965522 0.235058117063726 0.6449 0.9669 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 L24 mock treatment 0.0204 0.0204 0.57 0.676 0.01 0.32 0.0139133141762458 0.0147586206896552 0.447132773792331 0.7759 0.9756 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M01 compound treatment 0.0034 0.00342 0.1 0.67 0.00401 0.13 -0.00608668582375426 -0.00524137931034484 -0.158794816860827 0.0387 0.171 3557425 ACon1_002417 C/C=C(\C)/C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M02 compound treatment 0.0134 0.0134 0.38 0.659 -0.00699 -0.23 0.00891331417624575 0.00975862068965517 0.29565087612904 0.2569 0.485 3557333 ACon1_002418 Cc1cc2cc(O)cc(O)c2c(=O)o1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M03 compound treatment 4.0E-4 4.19E-4 0.01 0.672 0.00601 0.19 -0.00508668582375425 -0.00424137931034483 -0.128498437328169 0.0451 0.1931 3559679 ACon1_002419 COC(=O)[C@@H]1C[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]3(C[C@H]4CC[C@H]32)[C@@H](O)C4=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M04 compound treatment -0.0046 -0.0046 -0.13 0.656 -0.00999 -0.32 -0.0030866858237543 -0.00224137931034488 -0.0679056782628552 -0.3009 -0.8463 1110474 ACon1_002420 COc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M05 compound treatment 0.0084 0.00842 0.24 0.673 0.00701 0.23 0.00391331417624576 0.00475862068965518 0.144168978465751 0.3508 0.9797 3553164 ACon1_002421 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@H](OC[C@H]34)c5ccc6OCOc6c5 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M06 compound treatment 0.0064 0.00642 0.18 0.672 0.00601 0.19 0.00291331417624574 0.00375862068965516 0.113872598933093 0.2822 0.9774 3557719 ACon1_002422 CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M07 compound treatment 0.0014 0.00142 0.04 0.662 -0.00399 -0.13 -0.00108668582375425 -2.41379310344827E-4 -0.00731291919753807 -0.0561 -0.4131 3616668 ACon1_002423 CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(=C/C=C\[C@H](OC)[C@@H](OC(=O)N)/C(=C/[C@H](C)[C@H]1O)/C)/C)C2=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M08 compound treatment -0.0036 -0.00358 -0.1 0.663 -0.00299 -0.1 -0.0070866858237543 -0.00624137931034488 -0.189091196393486 -0.2232 -0.9495 3559706 ACon1_002424 COc1cc(O)c2c(=O)cc(oc2c1)c3cc(OC)c(OC)c(O)c3OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M09 mock treatment 0.0014 0.00142 0.04 0.67 0.00401 0.13 -0.00808668582375425 -0.00724137931034483 -0.219387575926143 -0.0286 -0.1109 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M10 mock treatment -0.0186 -0.0186 -0.52 0.648 -0.018 -0.58 -0.0240866858237543 -0.0232413793103449 -0.704129648448669 -1.0448 -0.9922 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M11 compound treatment 0.0024 0.00242 0.07 0.66 -0.00599 -0.19 -0.00908668582375426 -0.00824137931034484 -0.249683955458801 -0.2173 -0.6713 3558746 ACon1_002425 COc1cc(/C=C/CO)ccc1OC\C=C(/C)\CCC=C(C)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M12 compound treatment 0.0024 0.00242 0.07 0.66 -0.00599 -0.19 -0.00208668582375426 -0.00124137931034484 -0.0376092987301962 -0.0949 -0.453 3616671 ACon1_002426 COc1c(O)cc2C(Oc3cc(C)oc(=O)c3)C(C)OC(=O)c2c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M13 mock treatment -0.0056 -0.00558 -0.16 0.666 6.8E-6 0.0 -0.00808668582375425 -0.00724137931034483 -0.219387575926143 -0.2168 -0.8048 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M14 mock treatment -0.0046 -0.00458 -0.13 0.674 0.00801 0.26 -0.00408668582375426 -0.00324137931034484 -0.0982020577955118 0.0192 0.0626 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M15 compound treatment 4.0E-4 4.19E-4 0.01 0.659 -0.00699 -0.23 9.1331417624574E-4 0.00175862068965516 0.0532798398677773 -0.0935 -0.4005 3554561 ACon1_002427 COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M16 compound treatment -0.0026 -0.0026 -0.07 0.642 -0.024 -0.78 -0.0080866858237543 -0.00724137931034488 -0.219387575926144 -0.6183 -0.7612 3616673 ACon1_002428 COC(=O)[C@]1(O)[C@H](O)C(=O)C(=C1/C=C/C)Cl 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M17 compound treatment -6.0E-4 -5.81E-4 -0.02 0.677 0.011 0.36 -0.00408668582375425 -0.00324137931034483 -0.0982020577955115 0.1401 0.3779 3554697 ACon1_002429 COC(=O)c1c(O)cc(C)cc1Oc2c(O)cc(OC)cc2CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M18 compound treatment -0.0036 -0.00358 -0.1 0.674 0.00801 0.26 -0.00208668582375426 -0.00124137931034484 -0.0376092987301962 0.0703 0.2502 3616676 ACon1_002430 COc1cc(O)cc(C)c1C(=O)OC2C(CO)OC(C2OC(=O)C)n3ccc(=O)[nH]c3=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M19 compound treatment 0.0074 0.00742 0.21 0.665 -9.93E-4 -0.03 0.00691331417624575 0.00775862068965517 0.235058117063724 0.2372 0.7517 3616679 ACon1_002431 COC(CC(c1c(O)cc2cc(C)oc(=O)c2c1O)c3c(O)cc4cc(C)oc(=O)c4c3O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M20 compound treatment -0.0076 -0.0076 -0.21 0.662 -0.00399 -0.13 -0.0110866858237543 -0.0102413793103449 -0.310276714524118 -0.377 -0.947 3616682 ACon1_002432 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C5C6C7C5C(C7C(O)(C(=O)OCc8cccc(O)c8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(=O)C64)C3=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M21 compound treatment -0.0046 -0.0046 -0.13 0.67 0.00401 0.13 -0.0090866858237543 -0.00824137931034488 -0.249683955458802 -0.1436 -0.4636 3552105 ACon1_002433 C/C=C/C1OC2=C(C(O)C1O)C(=O)OC2=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M22 compound treatment 0.0014 0.00143 0.04 0.667 0.00101 0.03 -0.00208668582375426 -0.00124137931034484 -0.0376092987301962 0.0203 0.3172 3616684 ACon1_002434 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC7OC(CO)C(O)C(O)C7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M23 compound treatment -0.0016 -0.00158 -0.04 0.664 -0.00199 -0.06 0.00191331417624574 0.00275862068965516 0.0835762194004351 -0.0147 -0.1279 3559395 ACon1_002435 C/C=C\1/[C@H](CC(=O)OCCc2ccc(O)cc2)C(=CO[C@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 M24 compound treatment -0.0136 -0.0136 -0.38 0.653 -0.013 -0.42 -0.0190866858237543 -0.0182413793103449 -0.55264775078538 -0.7827 -0.9872 3559231 ACon1_002436 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)C)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N01 compound treatment -0.0196 -0.0196 -0.55 0.657 -0.00899 -0.29 -0.0280866858237543 -0.0272413793103449 -0.825315166579301 -0.9623 -0.931 2090630 ACon1_002437 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(OC6OC(C)C(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N02 mock treatment -0.0156 -0.0156 -0.44 0.627 -0.039 -1.27 -0.0230866858237543 -0.0222413793103449 -0.673833268916012 -1.3722 -0.9154 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N03 compound treatment -0.0056 -0.00558 -0.16 0.659 -0.00699 -0.23 0.00391331417624574 0.00475862068965516 0.144168978465751 -0.1381 -0.4441 3616685 ACon1_002438 CC(=CCc1cc2C(=O)[C@H](O)[C@H](Oc2c(CC=C(C)C)c1O)c3ccc(O)cc3)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N04 mock treatment -0.0246 -0.0246 -0.69 0.64 -0.026 -0.84 -0.0660866858237543 -0.0652413793103449 -1.9765775888203 -2.0265 -0.8978 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N05 compound treatment -0.0106 -0.0106 -0.3 0.658 -0.00799 -0.26 -0.0160866858237543 -0.0152413793103449 -0.461758612187407 -0.588 -0.9681 3616688 ACon1_002439 C[C@]12C[C@H](OC(=O)[C@H]2CC[C@]3(C)[C@H]1CCC=C3C(=O)O)c4ccoc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N06 mock treatment -0.0116 -0.0116 -0.33 0.653 -0.013 -0.42 -0.0210866858237543 -0.0202413793103449 -0.613240509850696 -0.7853 -0.9669 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N07 compound treatment -0.0336 -0.0336 -0.94 0.65 -0.016 -0.52 -0.0250866858237543 -0.0242413793103449 -0.734426027981327 -1.2676 -0.9733 3616690 ACon1_002440 COc1cc2C[C@H]3COC(=O)[C@@H]3Cc4cc5OCOc5cc4-c2c(OC)c1OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N08 mock treatment -0.0346 -0.0346 -0.97 0.659 -0.00699 -0.23 -0.0350866858237543 -0.0342413793103449 -1.03738982330791 -1.2901 -0.8969 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N09 mock treatment -0.0316 -0.0316 -0.89 0.65 -0.016 -0.52 -0.0410866858237543 -0.0402413793103449 -1.21916810050385 -1.5151 -0.9505 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N10 mock treatment -0.0026 -0.0026 -0.07 0.662 -0.00399 -0.13 -0.0110866858237543 -0.0102413793103449 -0.310276714524118 -0.2961 -0.8605 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N11 compound treatment -0.0216 -0.0216 -0.61 0.644 -0.022 -0.71 -0.0290866858237543 -0.0282413793103449 -0.855611546111958 -1.2558 -0.9902 3616692 ACon1_002441 CO[C@@H]1[C@@H](O)[C@@H](O[C@H]2CC[C@]3(C)C4C[C@@H]5C(=C)[C@H](CC[C@]5(O)[C@@H]4CC[C@@H]3C2)C6=CC(=O)OC6)O[C@@H](C)[C@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N12 mock treatment -0.0126 -0.0126 -0.35 0.64 -0.026 -0.84 -8.66858237542597E-5 7.58620689655163E-4 0.0229834603351195 -0.6774 -0.7406 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N13 mock treatment -0.0156 -0.0156 -0.44 0.659 -0.00699 -0.23 -8.66858237542401E-5 7.58620689655183E-4 0.02298346033512 -0.3698 -0.7508 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N14 mock treatment -0.0076 -0.00758 -0.21 0.653 -0.013 -0.42 -0.0120866858237543 -0.0112413793103449 -0.340573094056776 -0.5628 -0.9666 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N15 compound treatment -0.0346 -0.0346 -0.97 0.664 -0.00199 -0.06 -0.0180866858237543 -0.0172413793103449 -0.522351371252722 -0.899 -0.8146 3616695 ACon1_002442 COc1cc2nc3occc3c(OC)c2cc1OCC(O)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N16 mock treatment -0.0266 -0.0266 -0.75 0.643 -0.023 -0.75 -0.0960866858237543 -0.0952413793103449 -2.88546897480003 -2.5272 -0.8226 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N17 compound treatment -0.0206 -0.0206 -0.58 0.636 -0.03 -0.97 -0.0230866858237543 -0.0222413793103449 -0.673833268916012 -1.2845 -0.9751 3559633 ACon1_002443 C/C(=C/CCC(C)(O)C=C)/CCC(=O)C(C)(C)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N18 mock treatment -0.0096 -0.00958 -0.27 0.638 -0.028 -0.91 -0.00708668582375425 -0.00624137931034483 -0.189091196393485 -0.7888 -0.8165 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N19 compound treatment -0.0166 -0.0166 -0.47 0.651 -0.015 -0.49 -0.0200866858237543 -0.0192413793103449 -0.582944130318038 -0.8862 -0.995 3558393 ACon1_002444 CC(C)C1CCC(=CCCC2(C)OC2C1OC3OC(COC(=O)C)C(O)C(O)C3O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N20 mock treatment -0.0136 -0.0136 -0.38 0.665 -9.93E-4 -0.03 -0.00908668582375425 -0.00824137931034483 -0.249683955458801 -0.3829 -0.838 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N21 compound treatment 0.0024 0.00242 0.07 0.653 -0.013 -0.42 -0.00308668582375425 -0.00224137931034483 -0.0679056782628537 -0.2435 -0.5631 3558493 ACon1_002445 COc1cc(CC2COC(C2COC(=O)/C=C/c3ccc(O)cc3)c4ccc(O)c(OC)c4)ccc1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N22 mock treatment -0.0186 -0.0186 -0.52 0.659 -0.00699 -0.23 -0.0160866858237543 -0.0152413793103449 -0.461758612187407 -0.6987 -0.9538 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N23 mock treatment -0.0066 -0.00658 -0.18 0.658 -0.00799 -0.26 -0.00108668582375425 -2.41379310344827E-4 -0.00731291919753807 -0.2605 -0.8182 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 N24 mock treatment -0.0046 -0.00458 -0.13 0.661 -0.00499 -0.16 -0.0160866858237543 -0.0152413793103449 -0.461758612187407 -0.4343 -0.8584 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O01 compound treatment 0.0234 0.0234 0.66 0.671 0.00501 0.16 0.0169133141762458 0.0177586206896552 0.538021912390304 0.7832 0.9066 3557529 ACon1_002446 COc1cc(OC)c2C(=O)CC(Oc2c1O)c3ccccc3 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O02 compound treatment 0.0084 0.00842 0.24 0.663 -0.00299 -0.1 0.00491331417624575 0.00575862068965517 0.174465357998409 0.1809 0.5852 3559907 ACon1_002447 CC1(C2CC3CC21)C3(C)CCC(O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O03 compound treatment 0.0074 0.00742 0.21 0.661 -0.00499 -0.16 0.00291331417624575 0.00375862068965517 0.113872598933093 0.0923 0.3213 3559525 ACon1_002448 O[C@]12CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC(=O)C1=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O04 compound treatment 0.0104 0.0104 0.29 0.67 0.00401 0.13 0.00591331417624576 0.00675862068965518 0.204761737531067 0.3619 0.9533 3559658 ACon1_002449 COc1ccc(CCC(=O)c2ccc(OC)cc2O)cc1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O05 compound treatment 0.0114 0.0114 0.32 0.671 0.00501 0.16 0.00791331417624575 0.00875862068965517 0.265354496596382 0.4319 0.9673 360 ACon1_002450 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O06 compound treatment 0.0054 0.00542 0.15 0.669 0.00301 0.1 9.1331417624574E-4 0.00175862068965516 0.0532798398677773 0.1748 0.9286 3555974 ACon1_002451 OCCCCCCC(C(=O)O)C(=C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O07 compound treatment -0.0116 -0.0116 -0.33 0.677 0.011 0.36 -0.0150866858237543 -0.0142413793103449 -0.431462232654749 -0.2307 -0.3561 3559619 ACon1_002452 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O08 compound treatment 0.0034 0.00342 0.1 0.654 -0.012 -0.39 -0.00208668582375426 -0.00124137931034484 -0.0376092987301962 -0.1911 -0.4746 3557500 ACon1_002453 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/CC/C=C(\CO)/C[C@H]2O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O09 compound treatment 0.0064 0.00642 0.18 0.671 0.00501 0.16 9.13314176245754E-4 0.00175862068965518 0.0532798398677777 0.2285 0.9203 3553872 ACon1_002454 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)C=C54)c6ccoc6 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O10 compound treatment -0.0076 -0.00759 -0.21 0.659 -0.00699 -0.23 -0.0120866858237543 -0.0112413793103449 -0.340573094056776 -0.4505 -0.9767 3616698 ACon1_002455 CC1CCC(O)C2C=CC(C)(O)C(C)(C12)C(=O)CCO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O11 mock treatment -0.0086 -0.0086 -0.24 0.66 -0.00599 -0.19 -0.0060866858237543 -0.00524137931034488 -0.158794816860829 -0.3432 -0.9858 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O12 mock treatment 0.0034 0.00342 0.1 0.653 -0.013 -0.42 -0.00208668582375426 -0.00124137931034484 -0.0376092987301962 -0.2098 -0.4834 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O13 compound treatment 0.0024 0.00243 0.07 0.682 0.016 0.52 -0.00508668582375426 -0.00424137931034484 -0.12849843732817 0.2651 0.4913 3554856 ACon1_002456 COc1cc(C=C)cc2c(=O)oc3c(cc(OC)c4c(O)ccc([C@@H]5O[C@H](C)[C@H](O)[C@@H]([C@H]5O)N(C)C)c34)c12 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O14 compound treatment 0.0064 0.00643 0.18 0.674 0.00801 0.26 9.1331417624574E-4 0.00175862068965516 0.0532798398677773 0.2849 0.8882 3559702 ACon1_002457 O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O15 compound treatment 0.0194 0.0194 0.54 0.662 -0.00399 -0.13 0.0139133141762458 0.0147586206896552 0.447132773792331 0.4973 0.6947 3553713 ACon1_002458 CC(CCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O16 compound treatment -6.0E-4 -6.01E-4 -0.02 0.672 0.00601 0.19 -0.0060866858237543 -0.00524137931034488 -0.158794816860829 0.0111 0.0442 3553071 ACon1_002459 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C(C)C)C[C@]12CO 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O17 compound treatment 0.0034 0.00342 0.1 0.668 0.00201 0.07 -0.00508668582375426 -0.00424137931034484 -0.12849843732817 0.0188 0.1084 3553691 ACon1_002460 CC(CC(=O)N)OC(=O)c1cc(Cl)cc(O)c1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O18 compound treatment -6.0E-4 -5.81E-4 -0.02 0.645 -0.021 -0.68 -0.00108668582375426 -2.41379310344837E-4 -0.00731291919753837 -0.407 -0.5972 3616699 ACon1_002461 CC(=O)O[C@@]1(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]3[C@@H]1C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O19 compound treatment -0.0076 -0.00759 -0.21 0.641 -0.025 -0.81 -0.0150866858237543 -0.0142413793103449 -0.431462232654749 -0.8403 -0.891 3559916 ACon1_002462 CC(C)(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O20 compound treatment -0.0146 -0.0146 -0.41 0.657 -0.00899 -0.29 -0.0200866858237543 -0.0192413793103449 -0.582944130318038 -0.7414 -0.9631 1017609 ACon1_002463 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O21 compound treatment 0.0114 0.0114 0.32 0.659 -0.00699 -0.23 0.00591331417624574 0.00675862068965516 0.204761737531066 0.172 0.3886 3554292 ACon1_002464 CCCCCCCC(O)C(O)C1CC(=CC(=O)O1)OC 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O22 compound treatment 0.0034 0.00342 0.1 0.667 0.00101 0.03 -8.66858237542605E-5 7.58620689655163E-4 0.0229834603351194 0.0875 0.8424 3558536 ACon1_002465 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CCC54C(=O)O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)C(O)C(O)C1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O23 compound treatment 0.0124 0.0124 0.35 0.658 -0.00799 -0.26 0.00791331417624575 0.00875862068965517 0.265354496596382 0.2045 0.4018 3616706 ACon1_002466 CC1CC(=O)c2cc(O)c(O)cc2C1 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 O24 compound treatment -0.0096 -0.0096 -0.27 0.646 -0.02 -0.65 -0.0170866858237543 -0.0162413793103449 -0.492054991720065 -0.8141 -0.9492 3615046 ACon1_002467 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P01 compound treatment -0.0156 -0.0156 -0.44 0.658 -0.00799 -0.26 -0.0160866858237543 -0.0152413793103449 -0.461758612187407 -0.6689 -0.9738 3616709 ACon1_002468 C[C@@]1(CCC2C(=CCC3[C@@](C)(CCC[C@]23C)C(=O)O)C1)C=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P02 mock treatment 0.0014 0.00142 0.04 0.667 0.00101 0.03 -0.00408668582375425 -0.00324137931034483 -0.0982020577955115 -0.0149 -0.1341 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P03 compound treatment -0.0076 -0.0076 -0.21 0.675 0.00901 0.29 -0.0120866858237543 -0.0112413793103449 -0.340573094056776 -0.1509 -0.3037 3616713 ACon1_002469 COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C[C@]54O[C@@H]6C([C@@]2(O)C[C@@]1(C)[C@@H]6O)[C@@]35O)c7ccoc7 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P04 mock treatment -0.0056 -0.00558 -0.16 0.658 -0.00799 -0.26 -0.0090866858237543 -0.00824137931034488 -0.249683955458802 -0.3843 -0.9788 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P05 compound treatment 0.0044 0.00442 0.12 0.652 -0.014 -0.45 0.00191331417624574 0.00275862068965516 0.0835762194004351 -0.1424 -0.2979 3616715 ACon1_002470 OC[C@H]1O[C@@H](Oc2ccc(cc2)c3coc4c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P06 mock treatment 0.0084 0.00842 0.24 0.653 -0.013 -0.42 -8.66858237542481E-5 7.58620689655175E-4 0.0229834603351198 -0.0939 -0.1941 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P07 compound treatment -0.0126 -0.0126 -0.35 0.661 -0.00499 -0.16 -0.0190866858237543 -0.0182413793103449 -0.55264775078538 -0.6166 -0.9126 3616718 ACon1_002471 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P08 mock treatment 4.0E-4 4.19E-4 0.01 0.659 -0.00699 -0.23 -0.0120866858237543 -0.0112413793103449 -0.340573094056776 -0.3209 -0.7837 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P09 compound treatment 0.0014 0.00142 0.04 0.647 -0.019 -0.62 -0.00508668582375426 -0.00424137931034484 -0.12849843732817 -0.4071 -0.6453 3616720 ACon1_002472 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P10 mock treatment -0.0056 -0.0056 -0.16 0.643 -0.023 -0.75 -0.0130866858237543 -0.0122413793103449 -0.370869473589433 -0.7356 -0.8675 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P11 mock treatment -0.0166 -0.0166 -0.47 0.644 -0.022 -0.71 -0.0150866858237543 -0.0142413793103449 -0.431462232654749 -0.9299 -0.9736 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P12 mock treatment -0.0106 -0.0106 -0.3 0.662 -0.00399 -0.13 -0.0160866858237543 -0.0152413793103449 -0.461758612187407 -0.513 -0.9092 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P13 compound treatment 0.0024 0.00242 0.07 0.645 -0.021 -0.68 -0.00308668582375426 -0.00224137931034484 -0.067905678262854 -0.3934 -0.5718 3616724 ACon1_002473 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)OC(=O)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P14 mock treatment 0.0124 0.0124 0.35 0.662 -0.00399 -0.13 0.00491331417624574 0.00575862068965516 0.174465357998409 0.2269 0.5529 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P15 compound treatment -0.0066 -0.0066 -0.19 0.667 0.00101 0.03 -0.0100866858237543 -0.00924137931034488 -0.27998033499146 -0.2496 -0.7403 3616725 ACon1_002474 CCCCCc1cc(OC)c2CC(O)C(C)(C)Oc2c1C(=O)O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P16 mock treatment -0.0036 -0.00358 -0.1 0.651 -0.015 -0.49 -0.0080866858237543 -0.00724137931034488 -0.219387575926144 -0.4656 -0.8572 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P17 compound treatment 4.0E-4 4.19E-4 0.01 0.644 -0.022 -0.71 0.00691331417624574 0.00775862068965516 0.235058117063724 -0.2696 -0.3587 1001668 ACon1_002475 CC(=CCCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1)C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P18 mock treatment -0.0186 -0.0186 -0.52 0.668 0.00201 0.07 -0.0240866858237543 -0.0232413793103449 -0.704129648448669 -0.67 -0.7626 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P19 compound treatment -0.0026 -0.00258 -0.07 0.663 -0.00299 -0.1 -0.00508668582375426 -0.00424137931034484 -0.12849843732817 -0.1721 -0.9743 3554138 ACon1_002476 CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](C)C[C@]2(O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@H](O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)CC)C1=C 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P20 mock treatment -0.0026 -0.00258 -0.07 0.661 -0.00499 -0.16 -0.00608668582375426 -0.00524137931034484 -0.158794816860827 -0.227 -0.9533 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P21 compound treatment 0.0014 0.00142 0.04 0.674 0.00801 0.26 -0.00408668582375426 -0.00324137931034484 -0.0982020577955118 0.1163 0.4144 3559753 ACon1_002477 COC1=CC2(CCN(C)[C@@H]3Cc4cc(OC)c(OC)cc42)C3=CC1=O 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P22 mock treatment -0.0056 -0.0056 -0.16 0.664 -0.00199 -0.06 -0.0100866858237543 -0.00924137931034488 -0.27998033499146 -0.2897 -0.8846 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P23 mock treatment -0.0126 -0.0126 -0.35 0.665 -9.93E-4 -0.03 -0.0170866858237543 -0.0162413793103449 -0.492054991720065 -0.5067 -0.8353 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2297 P24 mock treatment 0.0244 0.0244 0.68 0.663 -0.00299 -0.1 0.0169133141762458 0.0177586206896552 0.538021912390304 0.6495 0.7417 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A01 compound treatment 0.0282 0.0282 0.79 0.689 0.0286 0.93 0.01290148623641 0.0133863636363636 0.405558353289442 1.2269 0.9544 DHPC8.2_000001 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A02 compound treatment 0.0372 0.0372 1.04 0.689 0.0286 0.93 0.02390148623641 0.0243863636363636 0.738818528148678 1.565 0.9905 DHPC8.2_000002 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A03 compound treatment 0.0012 0.00118 0.03 0.667 0.00665 0.22 0.02290148623641 0.0233863636363636 0.70852214861602 0.5528 0.7456 DHPC8.2_000003 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A04 compound treatment 0.0102 0.0102 0.29 0.658 -0.00235 -0.08 0.01490148623641 0.0153863636363636 0.466151112354758 0.3899 0.7065 DHPC8.2_000004 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A05 compound treatment 0.0222 0.0222 0.62 0.686 0.0257 0.83 0.02290148623641 0.0233863636363636 0.70852214861602 1.2484 0.9929 DHPC8.2_000005 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A06 compound treatment 0.0132 0.0132 0.37 0.668 0.00765 0.25 0.01690148623641 0.0173863636363636 0.526743871420073 0.6609 0.9581 DHPC8.2_000006 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A07 compound treatment 0.0032 0.00319 0.09 0.662 0.00165 0.05 0.03090148623641 0.0313863636363636 0.950893184877283 0.6315 0.6601 DHPC8.2_000007 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A08 compound treatment 0.0072 0.00716 0.2 0.669 0.00865 0.28 0.02190148623641 0.0223863636363636 0.678225769083362 0.6696 0.8799 DHPC8.2_000008 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A09 compound treatment 0.0292 0.0292 0.82 0.688 0.0277 0.9 0.00690148623641001 0.00738636363636364 0.223780076093495 1.1194 0.9068 DHPC8.2_000009 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A10 compound treatment 0.0082 0.00818 0.23 0.669 0.00865 0.28 0.00790148623641002 0.00838636363636365 0.254076455626153 0.4412 0.9966 DHPC8.2_000010 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A11 compound treatment 0.0242 0.0242 0.68 0.68 0.0197 0.64 0.02490148623641 0.0253863636363636 0.769114907681336 1.2034 0.9969 DHPC8.2_000011 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A12 compound treatment 0.0222 0.0222 0.62 0.674 0.0137 0.44 0.02190148623641 0.0223863636363636 0.678225769083362 1.0061 0.9854 DHPC8.2_000012 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A13 mock treatment 0.0072 0.00716 0.2 0.669 0.00865 0.28 0.01190148623641 0.0123863636363636 0.375261973756784 0.4947 0.9702 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A14 mock treatment 0.0072 0.00718 0.2 0.668 0.00765 0.25 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 0.2839 0.8804 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A15 compound treatment 0.0042 0.00416 0.12 0.67 0.00965 0.31 0.01490148623641 0.0153863636363636 0.466151112354758 0.5173 0.9019 DHPC8.2_000013 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A16 compound treatment 0.0102 0.0102 0.28 0.669 0.00865 0.28 0.00290148623641001 0.00338636363636364 0.102594557962864 0.3859 0.9343 DHPC8.2_000014 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A17 compound treatment -0.0038 -0.00382 -0.11 0.656 -0.00435 -0.14 0.00690148623641002 0.00738636363636365 0.223780076093496 -0.0141 -0.0494 DHPC8.2_000015 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A18 compound treatment 0.0062 0.00618 0.17 0.665 0.00465 0.15 0.01090148623641 0.0113863636363636 0.344965594224126 0.3864 0.9321 DHPC8.2_000016 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A19 compound treatment -0.0098 -0.00978 -0.27 0.666 0.00565 0.18 0.00690148623641002 0.00738636363636365 0.223780076093496 0.0768 0.1927 DHPC8.2_000017 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A20 compound treatment -0.0058 -0.00582 -0.16 0.654 -0.00635 -0.21 0.00690148623641002 0.00738636363636365 0.223780076093496 -0.0839 -0.2431 DHPC8.2_000018 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A21 compound treatment -0.0078 -0.00778 -0.22 0.665 0.00465 0.15 -0.00909851376358999 -0.00861363636363636 -0.26096199642903 -0.1894 -0.5091 DHPC8.2_000019 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A22 compound treatment 2.0E-4 1.85E-4 0.01 0.658 -0.00235 -0.08 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 -0.0518 -0.6581 DHPC8.2_000020 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A23 compound treatment -0.0108 -0.0108 -0.3 0.661 6.5E-4 0.02 0.00890148623641002 0.00938636363636365 0.284372835158811 0.0019 0.0046 DHPC8.2_000021 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 A24 compound treatment -0.0038 -0.00382 -0.11 0.651 -0.00935 -0.3 -0.00609851376358999 -0.00561363636363636 -0.170072857831056 -0.3352 -0.9209 DHPC8.2_000022 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B01 mock treatment 0.0102 0.0102 0.29 0.664 0.00365 0.12 -0.00309851376359 -0.00261363636363637 -0.0791837192330832 0.1875 0.5877 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B02 mock treatment -0.0588 -0.0588 -1.65 0.652 -0.00835 -0.27 0.00990148623641002 0.0103863636363636 0.314669214691469 -0.9262 -0.545 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B03 mock treatment 0.0032 0.00318 0.09 0.668 0.00765 0.25 0.01490148623641 0.0153863636363636 0.466151112354758 0.464 0.8663 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B04 mock treatment -0.0168 -0.0168 -0.47 0.644 -0.0164 -0.53 0.01690148623641 0.0173863636363636 0.526743871420073 -0.2748 -0.3108 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B05 mock treatment 0.0092 0.00918 0.26 0.665 0.00465 0.15 0.01890148623641 0.0193863636363636 0.587336630485389 0.5749 0.8726 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B06 mock treatment -0.0028 -0.00282 -0.08 0.657 -0.00335 -0.11 -0.00409851376358999 -0.00361363636363636 -0.109480098765741 -0.1716 -0.9899 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B07 mock treatment -0.0098 -0.00984 -0.28 0.65 -0.0104 -0.34 0.00290148623641001 0.00338636363636364 0.102594557962864 -0.2939 -0.6582 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B08 mock treatment 0.0112 0.0112 0.31 0.665 0.00465 0.15 0.02490148623641 0.0253863636363636 0.769114907681336 0.7122 0.8437 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B09 mock treatment 0.0122 0.0122 0.34 0.667 0.00665 0.22 -9.851376358999E-5 3.86363636363639E-4 0.0117054193648906 0.3286 0.8129 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B10 mock treatment 0.0122 0.0122 0.34 0.662 0.00165 0.05 0.00290148623641001 0.00338636363636364 0.102594557962864 0.288 0.7962 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B11 mock treatment -0.0058 -0.00581 -0.16 0.661 6.5E-4 0.02 0.00790148623641002 0.00838636363636365 0.254076455626153 0.0648 0.214 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B12 mock treatment -0.0048 -0.00482 -0.14 0.652 -0.00835 -0.27 -0.02209851376359 -0.0216136363636364 -0.654814930353582 -0.6125 -0.849 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B13 mock treatment 0.0082 0.00816 0.23 0.671 0.0107 0.35 0.00790148623641001 0.00838636363636364 0.254076455626153 0.4784 0.9839 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B14 mock treatment -0.0048 -0.00482 -0.14 0.653 -0.00735 -0.24 0.01090148623641 0.0113863636363636 0.344965594224126 -0.0165 -0.0375 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B15 mock treatment -0.0088 -0.00882 -0.25 0.655 -0.00535 -0.17 0.00890148623641002 0.00938636363636365 0.284372835158811 -0.0788 -0.1898 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B16 mock treatment -0.0178 -0.0178 -0.5 0.645 -0.0154 -0.5 0.00390148623641002 0.00438636363636365 0.132890937495522 -0.4993 -0.6955 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B17 mock treatment -0.0048 -0.00482 -0.14 0.65 -0.0104 -0.34 0.00690148623641 0.00738636363636363 0.223780076093495 -0.1427 -0.3353 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B18 mock treatment 0.0042 0.00418 0.12 0.65 -0.0104 -0.34 0.01190148623641 0.0123863636363636 0.375261973756784 0.0904 0.1749 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B19 mock treatment 0.0102 0.0102 0.29 0.665 0.00465 0.15 0.00690148623641002 0.00738636363636365 0.223780076093496 0.3812 0.9702 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B20 mock treatment 0.0082 0.00818 0.23 0.666 0.00565 0.18 9.01486236410005E-4 0.00138636363636363 0.0420017988975483 0.2626 0.885 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B21 mock treatment 0.0162 0.0162 0.45 0.671 0.0107 0.35 -0.00109851376359 -6.13636363636371E-4 -0.0185909601677675 0.4505 0.7899 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B22 mock treatment -8.0E-4 -8.17E-4 -0.02 0.656 -0.00435 -0.14 -0.00409851376358999 -0.00361363636363636 -0.109480098765741 -0.1579 -0.8769 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B23 mock treatment -0.0158 -0.0158 -0.44 0.653 -0.00735 -0.24 0.00690148623641001 0.00738636363636364 0.223780076093495 -0.2646 -0.4801 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 B24 mock treatment 2.0E-4 1.83E-4 0.01 0.658 -0.00235 -0.08 0.01190148623641 0.0123863636363636 0.375261973756784 0.1756 0.4585 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C01 compound treatment -0.0298 -0.0298 -0.83 0.669 0.00865 0.28 0.00590148623641001 0.00638636363636364 0.193483696560838 -0.2082 -0.2309 DHPC8.2_000023 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C02 compound treatment 0.0072 0.00718 0.2 0.65 -0.0104 -0.34 0.01690148623641 0.0173863636363636 0.526743871420073 0.2265 0.345 DHPC8.2_000024 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C03 compound treatment 0.0142 0.0142 0.4 0.674 0.0137 0.44 0.01290148623641 0.0133863636363636 0.405558353289442 0.7195 0.9989 DHPC8.2_000025 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C04 compound treatment -0.0018 -0.00182 -0.05 0.662 0.00165 0.05 0.00390148623641 0.00438636363636363 0.132890937495522 0.0782 0.5144 DHPC8.2_000026 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C05 compound treatment -0.0018 -0.00182 -0.05 0.661 6.5E-4 0.02 0.02590148623641 0.0263863636363636 0.799411287213994 0.4443 0.5545 DHPC8.2_000027 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C06 compound treatment 0.0202 0.0202 0.57 0.665 0.00465 0.15 0.00990148623641002 0.0103863636363636 0.314669214691469 0.5952 0.8959 DHPC8.2_000028 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C07 compound treatment -0.0218 -0.0218 -0.61 0.675 0.0147 0.48 0.00390148623641001 0.00438636363636364 0.132890937495522 -0.0016 -0.002 DHPC8.2_000029 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C08 compound treatment 0.0072 0.0072 0.2 0.677 0.0167 0.54 -0.27509851376359 -0.274613636363636 -8.31979895211601 -4.3749 -0.5246 DHPC8.2_000030 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C09 compound treatment 0.0102 0.0102 0.29 0.666 0.00565 0.18 0.01590148623641 0.0163863636363636 0.496447491887415 0.5573 0.9268 DHPC8.2_000031 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C10 compound treatment -0.131 -0.131 -3.67 0.664 0.00365 0.12 0.00790148623641001 0.00838636363636364 0.254076455626153 -1.9051 -0.5173 DHPC8.2_000032 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C11 mock treatment 0.0012 0.00118 0.03 0.667 0.00665 0.22 0.00390148623641001 0.00438636363636364 0.132890937495522 0.2205 0.8626 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C12 mock treatment 0.0102 0.0102 0.29 0.669 0.00865 0.28 0.00690148623641001 0.00738636363636364 0.223780076093495 0.4561 0.9944 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C13 compound treatment 0.0082 0.00816 0.23 0.668 0.00765 0.25 0.00490148623641002 0.00538636363636365 0.16318731702818 0.3697 0.9858 DHPC8.2_000033 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C14 compound treatment 2.0E-4 1.83E-4 0.01 0.664 0.00365 0.12 -0.00509851376359 -0.00461363636363637 -0.139776478298399 -0.0093 -0.051 DHPC8.2_000034 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C15 mock treatment 0.0012 0.00118 0.03 0.671 0.0107 0.35 -0.00609851376359 -0.00561363636363637 -0.170072857831057 0.1205 0.3117 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C16 mock treatment 0.0042 0.00418 0.12 0.668 0.00765 0.25 -0.00109851376359 -6.13636363636371E-4 -0.0185909601677675 0.2003 0.7279 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C17 compound treatment 0.0102 0.0102 0.29 0.662 0.00165 0.05 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 0.185 0.6356 DHPC8.2_000035 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C18 compound treatment 0.0022 0.00218 0.06 0.659 -0.00135 -0.04 0.00690148623641 0.00738636363636363 0.223780076093495 0.1393 0.5898 DHPC8.2_000036 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C19 compound treatment 0.0102 0.0102 0.28 0.671 0.0107 0.35 0.00390148623641001 0.00438636363636364 0.132890937495522 0.4408 0.9434 DHPC8.2_000037 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C20 compound treatment 0.0082 0.00818 0.23 0.667 0.00665 0.22 -0.01209851376359 -0.0116136363636364 -0.351851135027004 0.0539 0.1142 DHPC8.2_000038 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C21 compound treatment -0.0148 -0.0148 -0.41 0.666 0.00565 0.18 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 -0.1091 -0.2397 DHPC8.2_000039 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C22 compound treatment 2.0E-4 1.85E-4 0.01 0.665 0.00465 0.15 -0.00909851376358999 -0.00861363636363636 -0.26096199642903 -0.0605 -0.2008 DHPC8.2_000040 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C23 compound treatment 0.0022 0.00218 0.06 0.656 -0.00435 -0.14 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 -0.0569 -0.3672 DHPC8.2_000041 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 C24 compound treatment 0.0072 0.00718 0.2 0.667 0.00665 0.22 0.00690148623641001 0.00738636363636364 0.223780076093495 0.3701 0.9991 DHPC8.2_000042 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D01 mock treatment -0.0168 -0.0168 -0.47 0.665 0.00465 0.15 0.00190148623641001 0.00238636363636364 0.0722981784302062 -0.1427 -0.2858 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D02 mock treatment 0.0032 0.00319 0.09 0.67 0.00965 0.31 0.00690148623641001 0.00738636363636364 0.223780076093495 0.3616 0.9151 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D03 mock treatment 0.0032 0.00318 0.09 0.656 -0.00435 -0.14 -9.85137635899896E-5 3.86363636363639E-4 0.0117054193648906 -0.0232 -0.1387 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D04 mock treatment 0.0052 0.00516 0.14 0.661 6.5E-4 0.02 -0.01309851376359 -0.0126136363636364 -0.382147514559661 -0.1249 -0.3052 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D05 mock treatment -0.0108 -0.0108 -0.3 0.665 0.00465 0.15 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 -0.0981 -0.2899 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D06 mock treatment -0.0108 -0.0108 -0.3 0.656 -0.00435 -0.14 0.00490148623641002 0.00538636363636365 0.16318731702818 -0.1624 -0.4363 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D07 mock treatment -0.0068 -0.0068 -0.19 0.66 -3.5E-4 -0.01 0.01190148623641 0.0123863636363636 0.375261973756784 0.1001 0.2377 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D08 mock treatment -8.0E-4 -7.97E-4 -0.02 0.665 0.00465 0.15 0.00290148623641001 0.00338636363636364 0.102594557962864 0.1335 0.7259 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D09 mock treatment 2.0E-4 1.83E-4 0.01 0.65 -0.0104 -0.34 0.00390148623641001 0.00438636363636364 0.132890937495522 -0.1143 -0.3162 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D10 mock treatment -0.0298 -0.0298 -0.83 0.653 -0.00735 -0.24 -0.00609851376358999 -0.00561363636363636 -0.170072857831056 -0.7179 -0.8114 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D11 mock treatment 0.0122 0.0122 0.34 0.677 0.0167 0.54 0.01390148623641 0.0143863636363636 0.4358547328221 0.7605 0.9832 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D12 mock treatment -0.0098 -0.00978 -0.27 0.655 -0.00535 -0.17 -9.851376358999E-5 3.86363636363639E-4 0.0117054193648906 -0.2518 -0.7753 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D13 mock treatment -0.0228 -0.0228 -0.64 0.667 0.00665 0.22 -0.00809851376359 -0.00761363636363637 -0.230665616896372 -0.3773 -0.5295 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D14 mock treatment 0.0102 0.0102 0.28 0.674 0.0137 0.44 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 0.4445 0.8413 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D15 mock treatment 2.0E-4 1.83E-4 0.01 0.664 0.00365 0.12 -0.00909851376359 -0.00861363636363637 -0.26096199642903 -0.0793 -0.2767 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D16 mock treatment 0.0082 0.00816 0.23 0.666 0.00565 0.18 0.00390148623641001 0.00438636363636364 0.132890937495522 0.3147 0.9775 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D17 mock treatment 0.0172 0.0172 0.48 0.672 0.0117 0.38 0.00190148623641001 0.00238636363636364 0.0722981784302062 0.5379 0.8728 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D18 mock treatment -0.0028 -0.00278 -0.08 0.664 0.00365 0.12 -0.00209851376358998 -0.00161363636363635 -0.0488873397004247 -0.0048 -0.0319 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D19 mock treatment 0.0152 0.0152 0.43 0.672 0.0117 0.38 -0.00209851376358999 -0.00161363636363636 -0.048887339700425 0.4355 0.7627 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D20 mock treatment 0.0052 0.00519 0.15 0.663 0.00265 0.09 -9.851376359E-5 3.86363636363629E-4 0.0117054193648903 0.1404 0.8289 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D21 mock treatment 0.0032 0.00318 0.09 0.66 -3.5E-4 -0.01 -0.00609851376358999 -0.00561363636363636 -0.170072857831056 -0.0532 -0.2767 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D22 mock treatment 0.0032 0.00318 0.09 0.647 -0.0134 -0.43 0.00590148623641 0.00638636363636363 0.193483696560837 -0.0869 -0.18 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D23 mock treatment 0.0182 0.0182 0.51 0.676 0.0157 0.51 0.00790148623641002 0.00838636363636365 0.254076455626153 0.7339 0.9622 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 D24 mock treatment -0.0018 -0.0018 -0.05 0.679 0.0187 0.61 0.00690148623641 0.00738636363636363 0.223780076093495 0.4496 0.6945 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E01 mock treatment 0.0162 0.0162 0.45 0.67 0.00965 0.31 0.02490148623641 0.0253863636363636 0.769114907681336 0.8865 0.9371 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E02 mock treatment 0.0182 0.0182 0.51 0.674 0.0137 0.44 0.01490148623641 0.0153863636363636 0.466151112354758 0.8192 0.9983 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E03 compound treatment -0.0098 -0.0098 -0.27 0.674 0.0137 0.44 0.02090148623641 0.0213863636363636 0.647929389550704 0.4713 0.5667 DHPC8.2_000043 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E04 compound treatment 0.0032 0.00318 0.09 0.67 0.00965 0.31 0.01990148623641 0.0203863636363636 0.617633010018047 0.589 0.8435 DHPC8.2_000044 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E05 compound treatment 0.0202 0.0202 0.57 0.678 0.0177 0.57 0.01490148623641 0.0153863636363636 0.466151112354758 0.9262 0.9959 DHPC8.2_000045 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E06 compound treatment -0.0128 -0.0128 -0.36 0.677 0.0167 0.54 0.02690148623641 0.0273863636363636 0.829707666746651 0.5839 0.5544 DHPC8.2_000046 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E07 compound treatment 0.0262 0.0262 0.73 0.668 0.00765 0.25 0.02690148623641 0.0273863636363636 0.829707666746651 1.0459 0.9215 DHPC8.2_000047 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E08 compound treatment 0.0142 0.0142 0.4 0.68 0.0197 0.64 0.02990148623641 0.0303863636363636 0.920596805344625 1.129 0.9501 DHPC8.2_000048 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E09 mock treatment 0.0212 0.0212 0.59 0.662 0.00165 0.05 0.02290148623641 0.0233863636363636 0.70852214861602 0.7825 0.8454 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E10 mock treatment -0.0288 -0.0288 -0.81 0.684 0.0237 0.77 0.01490148623641 0.0153863636363636 0.466151112354758 0.2461 0.2038 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E11 compound treatment 0.0152 0.0152 0.43 0.674 0.0137 0.44 -0.01409851376359 -0.0136136363636364 -0.412443894092319 0.2631 0.3557 DHPC8.2_000049 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E12 compound treatment -0.0048 -0.00482 -0.14 0.66 -3.5E-4 -0.01 0.01390148623641 0.0143863636363636 0.4358547328221 0.1671 0.3661 DHPC8.2_000050 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E13 compound treatment -0.0028 -0.0028 -0.08 0.522 -0.138 -4.49 0.01990148623641 0.0203863636363636 0.617633010018047 -2.281 -0.5032 DHPC8.2_000051 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E14 compound treatment 0.0062 0.00618 0.17 0.668 0.00765 0.25 0.00290148623641001 0.00338636363636364 0.102594557962864 0.3027 0.9467 DHPC8.2_000052 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E15 compound treatment -0.0088 -0.0088 -0.25 0.671 0.0107 0.35 0.02290148623641 0.0233863636363636 0.70852214861602 0.4662 0.5644 DHPC8.2_000053 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E16 compound treatment -0.0048 -0.00482 -0.14 0.655 -0.00535 -0.17 0.00390148623641001 0.00438636363636364 0.132890937495522 -0.1015 -0.3949 DHPC8.2_000054 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E17 mock treatment -0.0238 -0.0238 -0.67 0.672 0.0117 0.38 -0.01109851376359 -0.0106136363636364 -0.321554755494346 -0.3526 -0.424 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E18 mock treatment 0.0032 0.00318 0.09 0.558 -0.102 -3.32 0.00690148623641 0.00738636363636363 0.223780076093495 -1.7371 -0.5216 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E19 compound treatment 0.0042 0.0042 0.12 0.678 0.0177 0.57 0.00390148623641001 0.00438636363636364 0.132890937495522 0.4755 0.7928 DHPC8.2_000055 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E20 compound treatment 0.0122 0.0122 0.34 0.674 0.0137 0.44 0.00890148623641 0.00938636363636363 0.284372835158811 0.6169 0.9834 DHPC8.2_000056 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E21 compound treatment 0.0242 0.0242 0.68 0.665 0.00465 0.15 0.01290148623641 0.0133863636363636 0.405558353289442 0.7124 0.8862 DHPC8.2_000057 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E22 compound treatment -0.0078 -0.00778 -0.22 0.667 0.00665 0.22 0.01290148623641 0.0133863636363636 0.405558353289442 0.2329 0.4579 DHPC8.2_000058 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E23 compound treatment 0.0102 0.0102 0.28 0.666 0.00565 0.18 0.00490148623641001 0.00538636363636364 0.16318731702818 0.3646 0.9694 DHPC8.2_000059 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 E24 compound treatment -0.0178 -0.0178 -0.5 0.658 -0.00235 -0.08 0.01290148623641 0.0133863636363636 0.405558353289442 -0.0976 -0.1509 DHPC8.2_000060 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F01 mock treatment -0.0598 -0.0598 -1.68 0.653 -0.00735 -0.24 -0.00609851376358999 -0.00561363636363636 -0.170072857831056 -1.2035 -0.7074 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F02 mock treatment -0.0448 -0.0448 -1.26 0.64 -0.0204 -0.66 -0.00409851376359 -0.00361363636363637 -0.109480098765741 -1.1697 -0.8218 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F03 mock treatment 0.0062 0.00618 0.17 0.655 -0.00535 -0.17 0.00590148623641001 0.00638636363636364 0.193483696560838 0.1115 0.357 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F04 mock treatment -8.0E-4 -8.17E-4 -0.02 0.657 -0.00335 -0.11 0.00290148623641001 0.00338636363636364 0.102594557962864 -0.0168 -0.1109 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F05 mock treatment -0.0238 -0.0238 -0.67 0.653 -0.00735 -0.24 0.00290148623641 0.00338636363636363 0.102594557962864 -0.4634 -0.6477 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F06 mock treatment -0.0078 -0.0078 -0.22 0.648 -0.0124 -0.4 0.01490148623641 0.0153863636363636 0.466151112354758 -0.0885 -0.1356 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F07 mock treatment -0.0158 -0.0158 -0.44 0.655 -0.00535 -0.17 0.00990148623641 0.0103863636363636 0.314669214691468 -0.174 -0.3052 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F08 mock treatment -0.0158 -0.0158 -0.44 0.653 -0.00735 -0.24 0.00890148623641 0.00938636363636363 0.284372835158811 -0.2293 -0.3967 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F09 mock treatment -0.0888 -0.0888 -2.49 0.672 0.0117 0.38 -0.03009851376359 -0.0296136363636364 -0.897185966614844 -1.7367 -0.6498 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F10 mock treatment -0.0328 -0.0328 -0.92 0.657 -0.00335 -0.11 0.00990148623641001 0.0103863636363636 0.314669214691469 -0.4116 -0.4212 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F11 mock treatment -0.0198 -0.0198 -0.55 0.651 -0.00935 -0.3 -0.00909851376359 -0.00861363636363637 -0.26096199642903 -0.646 -0.9447 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F12 mock treatment -0.0258 -0.0258 -0.72 0.644 -0.0164 -0.53 0.01190148623641 0.0123863636363636 0.375261973756784 -0.507 -0.5216 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F13 mock treatment -0.0038 -0.00378 -0.11 0.652 -0.00835 -0.27 9.01486236410001E-4 0.00138636363636363 0.0420017988975481 -0.1934 -0.6577 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F14 mock treatment 0.0152 0.0152 0.43 0.67 0.00965 0.31 -9.85137635899904E-5 3.86363636363639E-4 0.0117054193648906 0.433 0.8199 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F15 mock treatment 2.0E-4 2.03E-4 0.01 0.404 -0.256 -8.32 -0.00309851376358999 -0.00261363636363636 -0.0791837192330829 -4.8458 -0.5824 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F16 mock treatment -0.0448 -0.0448 -1.26 0.662 0.00165 0.05 0.00690148623641 0.00738636363636363 0.223780076093495 -0.565 -0.4425 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F17 mock treatment -0.0598 -0.0598 -1.68 0.451 -0.209 -6.79 0.00590148623641 0.00638636363636363 0.193483696560837 -4.779 -0.6826 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F18 mock treatment 0.0052 0.0052 0.15 0.665 0.00465 0.15 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 0.1606 0.7623 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F19 mock treatment -8.0E-4 -8.17E-4 -0.02 0.519 -0.141 -4.59 0.01090148623641 0.0113863636363636 0.344965594224126 -2.4626 -0.5353 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F20 mock treatment 0.0052 0.00518 0.15 0.653 -0.00735 -0.24 0.00790148623641 0.00838636363636363 0.254076455626153 0.0929 0.246 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F21 mock treatment 0.0092 0.00916 0.26 0.663 0.00265 0.09 -9.851376358999E-5 3.86363636363639E-4 0.0117054193648906 0.2048 0.755 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F22 mock treatment 0.0192 0.0192 0.54 0.672 0.0117 0.38 0.00490148623641001 0.00538636363636364 0.16318731702818 0.6227 0.9199 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F23 mock treatment -0.0258 -0.0258 -0.72 0.645 -0.0154 -0.5 0.00590148623641 0.00638636363636363 0.193483696560837 -0.5932 -0.6599 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 F24 mock treatment 0.0272 0.0272 0.76 0.661 6.5E-4 0.02 0.00190148623641001 0.00238636363636364 0.0722981784302062 0.4936 0.645 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G01 compound treatment -0.0038 -0.00382 -0.11 0.654 -0.00635 -0.21 0.00790148623641 0.00838636363636363 0.254076455626153 -0.0341 -0.099 DHPC8.2_000061 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G02 compound treatment 0.0142 0.0142 0.4 0.676 0.0157 0.51 0.00590148623641001 0.00638636363636364 0.193483696560838 0.6345 0.9422 DHPC8.2_000062 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G03 mock treatment 0.0112 0.0112 0.31 0.675 0.0147 0.48 0.00290148623641001 0.00338636363636364 0.102594557962864 0.5148 0.8895 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G04 mock treatment 0.0192 0.0192 0.54 0.673 0.0127 0.41 -0.02309851376359 -0.0226136363636364 -0.68511130988624 0.1526 0.1584 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G05 compound treatment 0.0212 0.0212 0.59 0.674 0.0137 0.44 0.00590148623641001 0.00638636363636364 0.193483696560838 0.71 0.9277 DHPC8.2_000063 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G06 compound treatment 0.0262 0.0262 0.73 0.686 0.0257 0.83 0.01590148623641 0.0163863636363636 0.496447491887415 1.1907 0.9796 DHPC8.2_000064 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G07 compound treatment 0.0252 0.0252 0.71 0.687 0.0267 0.86 0.02790148623641 0.0283863636363636 0.860004046279309 1.4032 0.9959 DHPC8.2_000065 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G08 compound treatment 0.0212 0.0212 0.59 0.681 0.0207 0.67 0.02490148623641 0.0253863636363636 0.769114907681336 1.1735 0.9944 DHPC8.2_000066 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G09 compound treatment 0.0302 0.0302 0.85 0.689 0.0286 0.93 0.01490148623641 0.0153863636363636 0.466151112354758 1.2942 0.9654 DHPC8.2_000067 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G10 compound treatment 0.0182 0.0182 0.51 0.675 0.0147 0.48 0.00890148623641 0.00938636363636363 0.284372835158811 0.7337 0.9735 DHPC8.2_000068 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G11 compound treatment 0.0162 0.0162 0.45 0.668 0.00765 0.25 0.01690148623641 0.0173863636363636 0.526743871420073 0.7094 0.961 DHPC8.2_000069 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G12 compound treatment 0.0252 0.0252 0.71 0.685 0.0247 0.8 0.00790148623641 0.00838636363636363 0.254076455626153 1.0159 0.9265 DHPC8.2_000070 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G13 compound treatment -0.0118 -0.0118 -0.33 0.68 0.0197 0.64 0.02590148623641 0.0263863636363636 0.799411287213994 0.6388 0.5943 DHPC8.2_000071 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G14 compound treatment 0.0182 0.0182 0.51 0.678 0.0177 0.57 0.01390148623641 0.0143863636363636 0.4358547328221 0.8764 0.9939 DHPC8.2_000072 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G15 compound treatment 0.0222 0.0222 0.62 0.681 0.0207 0.67 0.00490148623641 0.00538636363636363 0.163187317028179 0.8399 0.9047 DHPC8.2_000073 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G16 compound treatment 0.0012 0.00118 0.03 0.665 0.00465 0.15 -9.851376358999E-5 3.86363636363639E-4 0.0117054193648906 0.113 0.7295 DHPC8.2_000074 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G17 compound treatment 0.0262 0.0262 0.73 0.683 0.0227 0.74 0.01290148623641 0.0133863636363636 0.405558353289442 1.0821 0.9706 DHPC8.2_000075 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G18 compound treatment 0.0142 0.0142 0.4 0.68 0.0197 0.64 0.01090148623641 0.0113863636363636 0.344965594224126 0.7966 0.9636 DHPC8.2_000076 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G19 mock treatment 0.0132 0.0132 0.37 0.672 0.0117 0.38 0.02690148623641 0.0273863636363636 0.829707666746651 0.9107 0.9257 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G20 mock treatment 0.0182 0.0182 0.51 0.676 0.0157 0.51 -0.00309851376358999 -0.00261363636363636 -0.0791837192330829 0.5419 0.7484 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G21 compound treatment 0.0222 0.0222 0.62 0.632 -0.0284 -0.92 0.00690148623641 0.00738636363636363 0.223780076093495 -0.0426 -0.0376 DHPC8.2_000077 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G22 compound treatment 0.0052 0.00518 0.15 0.661 6.5E-4 0.02 0.00290148623641001 0.00338636363636364 0.102594557962864 0.1553 0.867 DHPC8.2_000078 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G23 compound treatment 0.0212 0.0212 0.59 0.676 0.0157 0.51 0.00890148623641002 0.00938636363636365 0.284372835158811 0.8006 0.9623 DHPC8.2_000079 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 G24 mock treatment 0.0072 0.00718 0.2 0.667 0.00665 0.22 -0.00309851376358999 -0.00261363636363636 -0.0791837192330829 0.1952 0.6386 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H01 mock treatment 0.0092 0.00918 0.26 0.664 0.00365 0.12 0.01290148623641 0.0133863636363636 0.405558353289442 0.4512 0.9119 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H02 mock treatment 0.0262 0.0262 0.73 0.668 0.00765 0.25 -0.00709851376358999 -0.00661363636363636 -0.200369237363714 0.4518 0.5641 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H03 mock treatment -8.0E-4 -8.17E-4 -0.02 0.648 -0.0124 -0.4 0.01090148623641 0.0113863636363636 0.344965594224126 -0.0455 -0.0859 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H04 mock treatment 0.0142 0.0142 0.4 0.669 0.00865 0.28 0.01190148623641 0.0123863636363636 0.375261973756784 0.6083 0.9898 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H05 mock treatment 0.0212 0.0212 0.59 0.668 0.00765 0.25 0.01590148623641 0.0163863636363636 0.496447491887415 0.7725 0.9508 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H06 mock treatment 0.0102 0.0102 0.29 0.67 0.00965 0.31 0.01290148623641 0.0133863636363636 0.405558353289442 0.5798 0.9884 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H07 mock treatment 0.0372 0.0372 1.04 0.696 0.0357 1.16 0.00590148623641 0.00638636363636363 0.193483696560837 1.3813 0.8804 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H08 mock treatment 0.0092 0.00922 0.26 0.669 0.00865 0.28 -0.00909851376359 -0.00861363636363637 -0.26096199642903 0.1607 0.3476 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H09 mock treatment -0.0058 -0.00582 -0.16 0.663 0.00265 0.09 0.01490148623641 0.0153863636363636 0.466151112354758 0.2246 0.4481 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H10 mock treatment 0.0182 0.0182 0.51 0.686 0.0257 0.83 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 0.7989 0.8179 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H11 mock treatment 0.0122 0.0122 0.34 0.67 0.00965 0.31 0.00290148623641001 0.00338636363636364 0.102594557962864 0.438 0.921 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H12 mock treatment 0.0112 0.0112 0.31 0.669 0.00865 0.28 0.00690148623641001 0.00738636363636364 0.223780076093495 0.4723 0.9909 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H13 mock treatment 0.0162 0.0162 0.45 0.674 0.0137 0.44 0.02090148623641 0.0213863636363636 0.647929389550704 0.8918 0.9837 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H14 mock treatment 0.0192 0.0192 0.54 0.673 0.0127 0.41 0.01590148623641 0.0163863636363636 0.496447491887415 0.8339 0.994 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H15 mock treatment 0.0222 0.0222 0.62 0.682 0.0217 0.7 0.01690148623641 0.0173863636363636 0.526743871420073 1.0692 0.9933 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H16 mock treatment 0.0142 0.0142 0.4 0.665 0.00465 0.15 0.01690148623641 0.0173863636363636 0.526743871420073 0.6208 0.917 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H17 mock treatment 0.0122 0.0122 0.34 0.665 0.00465 0.15 0.01790148623641 0.0183863636363636 0.557040250952731 0.6059 0.9035 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H18 mock treatment 0.0092 0.00918 0.26 0.651 -0.00935 -0.3 -0.00509851376358999 -0.00461363636363636 -0.139776478298398 -0.1073 -0.2543 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H19 mock treatment 0.0182 0.0182 0.51 0.677 0.0167 0.54 0.00690148623641001 0.00738636363636364 0.223780076093495 0.7352 0.948 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H20 mock treatment 0.0112 0.0112 0.31 0.67 0.00965 0.31 -0.00509851376358999 -0.00461363636363636 -0.139776478298398 0.2811 0.605 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H21 mock treatment 0.0082 0.00818 0.23 0.672 0.0117 0.38 -0.00609851376358998 -0.00561363636363635 -0.170072857831056 0.2526 0.533 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H22 mock treatment 0.0072 0.00718 0.2 0.678 0.0177 0.57 0.00690148623641002 0.00738636363636365 0.223780076093496 0.5762 0.8904 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H23 mock treatment 0.0282 0.0282 0.79 0.685 0.0247 0.8 0.01390148623641 0.0143863636363636 0.4358547328221 1.1694 0.97 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 H24 mock treatment 0.0122 0.0122 0.34 0.67 0.00965 0.31 0.01890148623641 0.0193863636363636 0.587336630485389 0.7171 0.9585 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I01 compound treatment -0.0028 -0.00282 -0.08 0.653 -0.00735 -0.24 0.00590148623641001 0.00638636363636364 0.193483696560838 -0.0716 -0.2258 DHPC8.2_000080 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I02 mock treatment 0.0082 0.00822 0.23 0.662 0.00165 0.05 -0.01009851376359 -0.00961363636363637 -0.291258375961688 -0.0041 -0.011 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I03 compound treatment 0.0102 0.0102 0.29 0.663 0.00265 0.09 0.00990148623641002 0.0103863636363636 0.314669214691469 0.3969 0.9138 DHPC8.2_000081 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I04 mock treatment -0.0088 -0.0088 -0.25 0.64 -0.0204 -0.66 -0.01509851376359 -0.0146136363636364 -0.442740273624977 -0.7793 -0.9361 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I05 mock treatment 0.0142 0.0142 0.4 0.676 0.0157 0.51 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 0.5468 0.8463 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I06 mock treatment 0.0062 0.00619 0.17 0.664 0.00365 0.12 -0.00409851376358999 -0.00361363636363636 -0.109480098765741 0.1053 0.4446 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I07 compound treatment 0.0162 0.0162 0.45 0.678 0.0177 0.57 -0.00209851376358999 -0.00161363636363636 -0.048887339700425 0.5641 0.7706 DHPC8.2_000082 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I08 mock treatment -0.0098 -0.00984 -0.28 0.65 -0.0104 -0.34 -9.85137635899896E-5 3.86363636363639E-4 0.0117054193648906 -0.3464 -0.7967 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I09 compound treatment 0.0032 0.00318 0.09 0.657 -0.00335 -0.11 0.01490148623641 0.0153863636363636 0.466151112354758 0.2579 0.5296 DHPC8.2_000083 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I10 mock treatment 0.0062 0.00618 0.17 0.664 0.00365 0.12 0.00790148623641 0.00838636363636363 0.254076455626153 0.3152 0.9562 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I11 compound treatment 0.0122 0.0122 0.34 0.678 0.0177 0.57 -0.00409851376358999 -0.00361363636363636 -0.109480098765741 0.4647 0.6876 DHPC8.2_000084 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I12 mock treatment 2.0E-4 1.83E-4 0.01 0.66 -3.5E-4 -0.01 -9.85137635899896E-5 3.86363636363639E-4 0.0117054193648906 0.0032 0.1848 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I13 compound treatment 0.0132 0.0132 0.37 0.672 0.0117 0.38 0.01290148623641 0.0133863636363636 0.405558353289442 0.6658 0.9992 DHPC8.2_000085 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I14 mock treatment 0.0062 0.00619 0.17 0.666 0.00565 0.18 -9.851376359E-5 3.86363636363629E-4 0.0117054193648903 0.2128 0.8421 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I15 compound treatment 0.0032 0.00318 0.09 0.666 0.00565 0.18 -0.01109851376359 -0.0106136363636364 -0.321554755494346 -0.0283 -0.0742 DHPC8.2_000086 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I16 mock treatment -0.0048 -0.00484 -0.14 0.659 -0.00135 -0.04 -0.02909851376359 -0.0286136363636364 -0.866889587082186 -0.6041 -0.6876 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I17 compound treatment -0.0018 -0.00182 -0.05 0.658 -0.00235 -0.08 0.01690148623641 0.0173863636363636 0.526743871420073 0.2307 0.4314 DHPC8.2_000087 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I18 mock treatment 0.0012 0.00118 0.03 0.657 -0.00335 -0.11 0.02190148623641 0.0223863636363636 0.678225769083362 0.3479 0.506 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I19 compound treatment 0.0162 0.0162 0.45 0.674 0.0137 0.44 -9.85137635900104E-5 3.86363636363619E-4 0.01170541936489 0.5242 0.827 DHPC8.2_000088 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I20 mock treatment 0.0022 0.00218 0.06 0.652 -0.00835 -0.27 0.00990148623641002 0.0103863636363636 0.314669214691469 0.0605 0.1442 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I21 mock treatment -0.0078 -0.00782 -0.22 0.658 -0.00235 -0.08 0.01390148623641 0.0143863636363636 0.4358547328221 0.0811 0.1642 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I22 mock treatment 0.0152 0.0152 0.43 0.664 0.00365 0.12 0.00890148623641 0.00938636363636363 0.284372835158811 0.4783 0.9103 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I23 compound treatment 0.0172 0.0172 0.48 0.668 0.00765 0.25 0.01390148623641 0.0143863636363636 0.4358547328221 0.6738 0.9677 DHPC8.2_000089 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 I24 mock treatment -0.0148 -0.0148 -0.42 0.635 -0.0254 -0.82 -0.00209851376358999 -0.00161363636363636 -0.048887339700425 -0.7434 -0.8052 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J01 mock treatment -0.0218 -0.0218 -0.61 0.629 -0.0314 -1.02 -0.00809851376358999 -0.00761363636363636 -0.230665616896372 -1.0741 -0.8879 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J02 mock treatment -0.0118 -0.0118 -0.33 0.649 -0.0114 -0.37 -0.04209851376359 -0.0416136363636364 -1.26074252100674 -1.1322 -0.8357 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J03 mock treatment -0.0318 -0.0318 -0.89 0.635 -0.0254 -0.82 -0.00909851376359 -0.00861363636363637 -0.26096199642903 -1.141 -0.9189 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J04 mock treatment -0.0038 -0.00384 -0.11 0.653 -0.00735 -0.24 -0.00509851376358999 -0.00461363636363636 -0.139776478298398 -0.2805 -0.9456 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J05 mock treatment -0.0068 -0.00682 -0.19 0.656 -0.00435 -0.14 -0.00609851376358999 -0.00561363636363636 -0.170072857831056 -0.29 -0.9926 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J06 mock treatment 0.0052 0.00519 0.15 0.666 0.00565 0.18 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 0.1791 0.7628 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J07 mock treatment -0.0238 -0.0238 -0.67 0.647 -0.0134 -0.43 -0.00809851376359 -0.00761363636363637 -0.230665616896372 -0.7685 -0.9278 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J08 mock treatment -0.0078 -0.00782 -0.22 0.654 -0.00635 -0.21 -0.00709851376359 -0.00661363636363637 -0.200369237363714 -0.3612 -0.9993 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J09 mock treatment -0.0068 -0.00682 -0.19 0.657 -0.00335 -0.11 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 -0.1839 -0.8331 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J10 mock treatment -0.0058 -0.0058 -0.16 0.654 -0.00635 -0.21 -0.01909851376359 -0.0186136363636364 -0.563925791755608 -0.5384 -0.8656 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J11 mock treatment -0.0018 -0.00181 -0.05 0.65 -0.0104 -0.34 -9.851376359E-5 3.86363636363629E-4 0.0117054193648903 -0.2165 -0.637 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J12 mock treatment -0.0108 -0.0108 -0.3 0.662 0.00165 0.05 -0.01509851376359 -0.0146136363636364 -0.442740273624977 -0.3992 -0.741 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J13 mock treatment -0.0048 -0.00482 -0.14 0.652 -0.00835 -0.27 -0.02409851376359 -0.0236136363636364 -0.715407689418897 -0.6475 -0.8335 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J14 mock treatment -0.0048 -0.00482 -0.14 0.649 -0.0114 -0.37 -0.01609851376359 -0.0156136363636364 -0.473036653157635 -0.5638 -0.9173 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J15 mock treatment -0.0098 -0.00984 -0.28 0.648 -0.0124 -0.4 -0.04809851376359 -0.0476136363636364 -1.44252079820269 -1.2235 -0.8037 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J16 mock treatment -0.0228 -0.0228 -0.64 0.644 -0.0164 -0.53 -0.01109851376359 -0.0106136363636364 -0.321554755494346 -0.8617 -0.9665 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J17 mock treatment -0.0158 -0.0158 -0.44 0.651 -0.00935 -0.3 0.00490148623641001 0.00538636363636364 0.16318731702818 -0.3373 -0.6002 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J18 mock treatment -0.0058 -0.00582 -0.16 0.664 0.00365 0.12 0.00190148623641001 0.00238636363636364 0.0722981784302062 0.016 0.0746 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J19 mock treatment 0.0222 0.0222 0.62 0.666 0.00565 0.18 0.00690148623641002 0.00738636363636365 0.223780076093496 0.5948 0.8658 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J20 mock treatment 0.0072 0.00718 0.2 0.661 6.5E-4 0.02 0.00990148623641002 0.0103863636363636 0.314669214691469 0.3101 0.8288 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J21 mock treatment 0.0132 0.0132 0.37 0.672 0.0117 0.38 0.00590148623641 0.00638636363636363 0.193483696560837 0.5434 0.9651 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J22 mock treatment -0.0108 -0.0108 -0.3 0.653 -0.00735 -0.24 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 -0.3239 -0.8375 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J23 mock treatment -0.0068 -0.00684 -0.19 0.649 -0.0114 -0.37 -0.00409851376359 -0.00361363636363637 -0.109480098765741 -0.3866 -0.9001 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 J24 mock treatment -0.0048 -0.00482 -0.14 0.667 0.00665 0.22 0.00290148623641002 0.00338636363636365 0.102594557962864 0.1059 0.3857 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K01 compound treatment 0.0142 0.0142 0.4 0.667 0.00665 0.22 0.02190148623641 0.0223863636363636 0.678225769083362 0.7458 0.9147 DHPC8.2_000090 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K02 mock treatment 0.0022 0.0022 0.06 0.657 -0.00335 -0.11 0.00190148623641001 0.00238636363636364 0.0722981784302062 0.0146 0.1013 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K03 compound treatment 0.0122 0.0122 0.34 0.669 0.00865 0.28 0.01490148623641 0.0153863636363636 0.466151112354758 0.6291 0.9782 DHPC8.2_000091 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K04 mock treatment 0.0122 0.0122 0.34 0.671 0.0107 0.35 0.00290148623641001 0.00338636363636364 0.102594557962864 0.4566 0.918 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K05 compound treatment 0.0312 0.0312 0.87 0.686 0.0257 0.83 0.01290148623641 0.0133863636363636 0.405558353289442 1.2192 0.9577 DHPC8.2_000092 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K06 mock treatment 0.0142 0.0142 0.4 0.675 0.0147 0.48 0.01790148623641 0.0183863636363636 0.557040250952731 0.8254 0.9907 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K07 mock treatment 0.0352 0.0352 0.99 0.691 0.0307 0.99 -0.00809851376358999 -0.00761363636363636 -0.230665616896372 1.0103 0.7118 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K08 mock treatment 0.0152 0.0152 0.43 0.683 0.0227 0.74 0.00290148623641002 0.00338636363636365 0.102594557962864 0.7291 0.8524 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K09 compound treatment 0.0192 0.0192 0.54 0.673 0.0127 0.41 0.00690148623641001 0.00738636363636364 0.223780076093495 0.6764 0.9497 DHPC8.2_000093 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K10 mock treatment 0.0212 0.0212 0.59 0.673 0.0127 0.41 0.01190148623641 0.0123863636363636 0.375261973756784 0.7969 0.9789 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K11 compound treatment 0.0282 0.0282 0.79 0.686 0.0257 0.83 0.01790148623641 0.0183863636363636 0.557040250952731 1.2581 0.9864 DHPC8.2_000094 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K12 mock treatment 0.0172 0.0172 0.48 0.666 0.00565 0.18 0.01390148623641 0.0143863636363636 0.4358547328221 0.6353 0.9417 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K13 compound treatment 0.0142 0.0142 0.4 0.669 0.00865 0.28 -0.01309851376359 -0.0126136363636364 -0.382147514559661 0.1707 0.276 DHPC8.2_000095 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K14 mock treatment 0.0212 0.0212 0.59 0.679 0.0187 0.61 0.01790148623641 0.0183863636363636 0.557040250952731 1.0136 0.9994 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K15 mock treatment 0.0292 0.0292 0.82 0.694 0.0336 1.09 0.02990148623641 0.0303863636363636 0.920596805344625 1.6341 0.9929 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K16 mock treatment 0.0192 0.0192 0.54 0.681 0.0207 0.67 0.01190148623641 0.0123863636363636 0.375261973756784 0.9138 0.9749 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K17 compound treatment 0.0152 0.0152 0.43 0.671 0.0107 0.35 0.00390148623641002 0.00438636363636365 0.132890937495522 0.522 0.9253 DHPC8.2_000096 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K18 mock treatment 0.0052 0.00518 0.15 0.664 0.00365 0.12 0.01890148623641 0.0193863636363636 0.587336630485389 0.4914 0.797 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K19 compound treatment 0.0072 0.00718 0.2 0.666 0.00565 0.18 -0.08109851376359 -0.0806136363636364 -2.44230132278039 -1.1879 -0.4834 DHPC8.2_000097 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K20 mock treatment 0.0182 0.0182 0.51 0.676 0.0157 0.51 -9.85137635899896E-5 3.86363636363639E-4 0.0117054193648906 0.594 0.8258 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K21 compound treatment 0.0132 0.0132 0.37 0.67 0.00965 0.31 0.00790148623641 0.00838636363636363 0.254076455626153 0.5409 0.9888 DHPC8.2_000098 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K22 mock treatment 0.0232 0.0232 0.65 0.681 0.0207 0.67 0.01690148623641 0.0173863636363636 0.526743871420073 1.066 0.9948 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K23 mock treatment 0.0162 0.0162 0.45 0.676 0.0157 0.51 0.01590148623641 0.0163863636363636 0.496447491887415 0.8415 0.9988 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 K24 mock treatment 0.0222 0.0222 0.62 0.676 0.0157 0.51 -0.00409851376358999 -0.00361363636363636 -0.109480098765741 0.5888 0.7269 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L01 mock treatment 0.0022 0.00218 0.06 0.652 -0.00835 -0.27 -0.02509851376359 -0.0246136363636364 -0.745704068951555 -0.5517 -0.6932 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L02 mock treatment -0.0058 -0.00582 -0.16 0.657 -0.00335 -0.11 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 -0.1327 -0.6619 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L03 mock treatment 0.0162 0.0162 0.45 0.666 0.00565 0.18 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 0.3577 0.7289 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L04 mock treatment -0.0098 -0.00982 -0.28 0.659 -0.00135 -0.04 -0.00209851376358999 -0.00161363636363636 -0.048887339700425 -0.2124 -0.7508 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L05 mock treatment 0.0192 0.0192 0.54 0.667 0.00665 0.22 0.00890148623641002 0.00938636363636365 0.284372835158811 0.599 0.9286 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L06 mock treatment -0.0038 -0.00382 -0.11 0.663 0.00265 0.09 0.01490148623641 0.0153863636363636 0.466151112354758 0.257 0.5289 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L07 mock treatment 0.0012 0.00118 0.03 0.651 -0.00935 -0.3 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 -0.1318 -0.4277 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L08 mock treatment -0.0258 -0.0258 -0.72 0.651 -0.00935 -0.3 -0.00609851376359 -0.00561363636363637 -0.170072857831057 -0.691 -0.8609 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L09 mock treatment 0.0132 0.0132 0.37 0.666 0.00565 0.18 0.01590148623641 0.0163863636363636 0.496447491887415 0.6059 0.9386 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L10 mock treatment 0.0052 0.00518 0.15 0.673 0.0127 0.41 -0.00509851376359 -0.00461363636363637 -0.139776478298399 0.2402 0.5252 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L11 mock treatment 0.0172 0.0172 0.48 0.675 0.0147 0.48 -9.851376358999E-5 3.86363636363639E-4 0.0117054193648906 0.5591 0.8263 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L12 mock treatment 0.0112 0.0112 0.31 0.673 0.0127 0.41 -0.00909851376358999 -0.00861363636363636 -0.26096199642903 0.2671 0.4617 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L13 mock treatment 0.0162 0.0162 0.45 0.668 0.00765 0.25 0.01190148623641 0.0123863636363636 0.375261973756784 0.6216 0.9734 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L14 mock treatment 0.0112 0.0112 0.31 0.668 0.00765 0.25 9.01486236410013E-4 0.00138636363636364 0.0420017988975485 0.3483 0.867 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L15 mock treatment 0.0092 0.00918 0.26 0.669 0.00865 0.28 -0.22109851376359 -0.220613636363636 -6.68379445735249 -3.5482 -0.53 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L16 mock treatment 0.0022 0.00218 0.06 0.669 0.00865 0.28 0.00690148623641002 0.00738636363636365 0.223780076093496 0.3266 0.8968 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L17 mock treatment 0.0312 0.0312 0.87 0.669 0.00865 0.28 0.01790148623641 0.0183863636363636 0.557040250952731 0.9881 0.9204 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L18 mock treatment -0.0018 -0.00182 -0.05 0.665 0.00465 0.15 0.01290148623641 0.0133863636363636 0.405558353289442 0.2919 0.6699 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L19 mock treatment 0.0152 0.0152 0.43 0.672 0.0117 0.38 0.00890148623641002 0.00938636363636365 0.284372835158811 0.6282 0.9872 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L20 mock treatment 0.0132 0.0132 0.37 0.664 0.00365 0.12 0.00990148623641 0.0103863636363636 0.314669214691468 0.4635 0.9276 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L21 mock treatment 0.0182 0.0182 0.51 0.674 0.0137 0.44 -0.02509851376359 -0.0246136363636364 -0.745704068951555 0.1192 0.1186 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L22 mock treatment 0.0152 0.0152 0.43 0.675 0.0147 0.48 0.00890148623641002 0.00938636363636365 0.284372835158811 0.6841 0.9797 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L23 mock treatment 0.0202 0.0202 0.57 0.679 0.0187 0.61 0.01490148623641 0.0153863636363636 0.466151112354758 0.945 0.9943 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 L24 mock treatment 0.0222 0.0222 0.62 0.681 0.0207 0.67 0.01690148623641 0.0173863636363636 0.526743871420073 1.0498 0.9952 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M01 compound treatment 0.0102 0.0102 0.29 0.665 0.00465 0.15 0.00590148623641001 0.00638636363636364 0.193483696560838 0.3637 0.966 DHPC8.2_000099 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M02 mock treatment -0.0018 -0.0018 -0.05 0.654 -0.00635 -0.21 0.00890148623641002 0.00938636363636365 0.284372835158811 0.0161 0.0454 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M03 compound treatment 0.0162 0.0162 0.45 0.671 0.0107 0.35 0.00290148623641001 0.00338636363636364 0.102594557962864 0.5214 0.8983 DHPC8.2_000100 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M04 mock treatment 0.0022 0.0022 0.06 0.581 -0.0794 -2.58 -0.03709851376359 -0.0366136363636364 -1.10926062334345 -2.0916 -0.7458 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M05 compound treatment 0.0112 0.0112 0.31 0.663 0.00265 0.09 0.00490148623641002 0.00538636363636365 0.16318731702818 0.3249 0.8931 DHPC8.2_000101 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M06 mock treatment 0.0172 0.0172 0.48 0.655 -0.00535 -0.17 0.00390148623641001 0.00438636363636364 0.132890937495522 0.2546 0.4813 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M07 compound treatment 0.0172 0.0172 0.48 0.675 0.0147 0.48 0.00390148623641001 0.00438636363636364 0.132890937495522 0.629 0.9125 DHPC8.2_000102 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M08 mock treatment 0.0052 0.00522 0.15 0.663 0.00265 0.09 -0.00809851376358999 -0.00761363636363636 -0.230665616896372 0.001 0.0036 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M09 mock treatment 0.0142 0.0142 0.4 0.663 0.00265 0.09 -0.00409851376358999 -0.00361363636363636 -0.109480098765741 0.2167 0.513 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M10 mock treatment -0.0218 -0.0218 -0.61 0.644 -0.0164 -0.53 -0.01709851376359 -0.0166136363636364 -0.503333032690293 -0.9504 -0.9965 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M11 compound treatment 0.0012 0.00122 0.03 0.656 -0.00435 -0.14 0.00190148623641001 0.00238636363636364 0.0722981784302062 -0.02 -0.1231 DHPC8.2_000103 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M12 mock treatment -0.0058 -0.00582 -0.16 0.653 -0.00735 -0.24 -0.00309851376358999 -0.00261363636363636 -0.0791837192330829 -0.2776 -0.9265 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M13 mock treatment 0.0022 0.00218 0.06 0.658 -0.00235 -0.08 -0.00509851376358999 -0.00461363636363636 -0.139776478298398 -0.0894 -0.5241 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M14 mock treatment 0.0092 0.00918 0.26 0.667 0.00665 0.22 -0.00709851376358999 -0.00661363636363636 -0.200369237363714 0.1576 0.4028 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M15 compound treatment -8.0E-4 -7.97E-4 -0.02 0.653 -0.00735 -0.24 0.00190148623641001 0.00238636363636364 0.0722981784302062 -0.1089 -0.4351 DHPC8.2_000104 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M16 mock treatment -0.0138 -0.0138 -0.39 0.642 -0.0184 -0.6 -0.00609851376359 -0.00561363636363637 -0.170072857831057 -0.6654 -0.9112 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M17 compound treatment 0.0112 0.0112 0.31 0.673 0.0127 0.41 -0.00309851376358999 -0.00261363636363636 -0.0791837192330829 0.3723 0.7124 DHPC8.2_000105 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M18 mock treatment -0.0038 -0.00382 -0.11 0.668 0.00765 0.25 -0.00109851376358999 -6.13636363636361E-4 -0.0185909601677672 0.0708 0.2613 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M19 compound treatment 0.0062 0.00619 0.17 0.658 -0.00235 -0.08 0.01090148623641 0.0113863636363636 0.344965594224126 0.2553 0.6486 DHPC8.2_000106 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M20 mock treatment -0.0018 -0.00184 -0.05 0.654 -0.00635 -0.21 -0.01109851376359 -0.0106136363636364 -0.321554755494346 -0.3344 -0.8676 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M21 compound treatment 0.0082 0.00822 0.23 0.666 0.00565 0.18 -0.00309851376359 -0.00261363636363637 -0.0791837192330832 0.1933 0.6336 DHPC8.2_000107 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M22 mock treatment 0.0042 0.00418 0.12 0.662 0.00165 0.05 -9.85137635899896E-5 3.86363636363639E-4 0.0117054193648906 0.1054 0.8141 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M23 compound treatment 2.0E-4 2.23E-4 0.01 0.655 -0.00535 -0.17 0.00490148623641001 0.00538636363636364 0.16318731702818 -0.0024 -0.0102 DHPC8.2_000108 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 M24 mock treatment -0.0118 -0.0118 -0.33 0.646 -0.0144 -0.47 -0.01409851376359 -0.0136136363636364 -0.412443894092319 -0.6986 -0.9908 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N01 mock treatment -0.0028 -0.00281 -0.08 0.654 -0.00635 -0.21 -0.02509851376359 -0.0246136363636364 -0.745704068951555 -0.5951 -0.7652 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N02 mock treatment -0.0288 -0.0288 -0.81 0.623 -0.0374 -1.21 -0.01609851376359 -0.0156136363636364 -0.473036653157635 -1.4397 -0.9398 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N03 mock treatment -0.0168 -0.0168 -0.47 0.631 -0.0294 -0.95 -0.00409851376358999 -0.00361363636363636 -0.109480098765741 -0.8857 -0.8288 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N04 mock treatment -0.0378 -0.0378 -1.06 0.646 -0.0144 -0.47 -0.01609851376359 -0.0156136363636364 -0.473036653157635 -1.1538 -0.9227 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N05 mock treatment -0.0018 -0.00182 -0.05 0.649 -0.0114 -0.37 -0.01709851376359 -0.0166136363636364 -0.503333032690293 -0.5327 -0.8512 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N06 mock treatment -0.0138 -0.0138 -0.39 0.657 -0.00335 -0.11 -0.01509851376359 -0.0146136363636364 -0.442740273624977 -0.5424 -0.906 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N07 mock treatment -0.0198 -0.0198 -0.56 0.655 -0.00535 -0.17 -0.02609851376359 -0.0256136363636364 -0.776000448484213 -0.8694 -0.8959 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N08 mock treatment -0.0168 -0.0168 -0.47 0.657 -0.00335 -0.11 -0.03409851376359 -0.0336136363636364 -1.01837148474548 -0.923 -0.8186 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N09 mock treatment -0.0218 -0.0218 -0.61 0.63 -0.0303 -0.98 -0.03409851376359 -0.0336136363636364 -1.01837148474548 -1.5101 -0.9784 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N10 mock treatment -0.0098 -0.00982 -0.28 0.652 -0.00835 -0.27 -0.00609851376358999 -0.00561363636363636 -0.170072857831056 -0.4136 -0.9799 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N11 mock treatment -0.0358 -0.0358 -1.0 0.641 -0.0193 -0.63 -0.02009851376359 -0.0196136363636364 -0.594222171288266 -1.2857 -0.97 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N12 mock treatment -0.0158 -0.0158 -0.44 0.659 -0.00135 -0.04 -0.00909851376359 -0.00861363636363637 -0.26096199642903 -0.4313 -0.8368 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N13 mock treatment 0.0042 0.00418 0.12 0.651 -0.00935 -0.3 -0.00209851376359 -0.00161363636363637 -0.0488873397004253 -0.1357 -0.4125 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N14 mock treatment -0.0198 -0.0198 -0.56 0.644 -0.0164 -0.53 -0.00309851376358999 -0.00261363636363636 -0.0791837192330829 -0.6732 -0.8711 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N15 mock treatment 0.0072 0.00718 0.2 0.668 0.00765 0.25 -0.01809851376359 -0.0176136363636364 -0.53362941222295 -0.0485 -0.0779 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N16 mock treatment -0.0018 -0.00182 -0.05 0.652 -0.00835 -0.27 -0.00309851376359 -0.00261363636363637 -0.0791837192330832 -0.2316 -0.8073 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N17 mock treatment -0.0118 -0.0118 -0.33 0.64 -0.0204 -0.66 -0.01809851376359 -0.0176136363636364 -0.53362941222295 -0.881 -0.9664 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N18 mock treatment -0.0048 -0.00482 -0.14 0.662 0.00165 0.05 -0.00909851376359 -0.00861363636363637 -0.26096199642903 -0.1977 -0.662 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N19 mock treatment -0.0098 -0.00984 -0.28 0.641 -0.0193 -0.63 -0.03809851376359 -0.0376136363636364 -1.13955700287611 -1.1797 -0.887 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N20 mock treatment 0.0042 0.00418 0.12 0.657 -0.00335 -0.11 -0.00909851376358999 -0.00861363636363636 -0.26096199642903 -0.1457 -0.4761 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N21 mock treatment -0.0028 -0.00282 -0.08 0.651 -0.00935 -0.3 -0.00109851376359 -6.13636363636371E-4 -0.0185909601677675 -0.2315 -0.7371 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N22 mock treatment 2.0E-4 2.03E-4 0.01 0.644 -0.0164 -0.53 -0.01809851376359 -0.0176136363636364 -0.53362941222295 -0.6112 -0.8121 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N23 mock treatment -0.0178 -0.0178 -0.5 0.618 -0.0423 -1.37 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 -1.058 -0.7231 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 N24 mock treatment 2.0E-4 1.83E-4 0.01 0.662 0.00165 0.05 -0.00809851376358999 -0.00761363636363636 -0.230665616896372 -0.0993 -0.4192 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O01 compound treatment 0.0112 0.0112 0.31 0.667 0.00665 0.22 0.01890148623641 0.0193863636363636 0.587336630485389 0.6447 0.9212 DHPC8.2_000109 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O02 mock treatment 0.0012 0.00122 0.03 0.659 -0.00135 -0.04 0.00690148623641002 0.00738636363636365 0.223780076093496 0.1237 0.5364 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O03 compound treatment 0.0012 0.00118 0.03 0.654 -0.00635 -0.21 0.00190148623641001 0.00238636363636364 0.0722981784302062 -0.0581 -0.263 DHPC8.2_000110 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O04 mock treatment 0.0092 0.00922 0.26 0.664 0.00365 0.12 0.00590148623641002 0.00638636363636365 0.193483696560838 0.3294 0.9575 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O05 compound treatment 0.0112 0.0112 0.31 0.662 0.00165 0.05 0.00490148623641001 0.00538636363636364 0.16318731702818 0.3068 0.8558 DHPC8.2_000111 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O06 mock treatment 0.0052 0.00522 0.15 0.66 -3.5E-4 -0.01 0.00290148623641001 0.00338636363636364 0.102594557962864 0.1372 0.7659 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O07 compound treatment 0.0132 0.0132 0.37 0.672 0.0117 0.38 -0.01309851376359 -0.0126136363636364 -0.382147514559661 0.2111 0.3235 DHPC8.2_000112 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O08 mock treatment -0.0058 -0.0058 -0.16 0.653 -0.00735 -0.24 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 -0.2073 -0.7107 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O09 compound treatment 0.0112 0.0112 0.31 0.664 0.00365 0.12 0.00290148623641001 0.00338636363636364 0.102594557962864 0.3086 0.8805 DHPC8.2_000113 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O10 mock treatment -0.0088 -0.0088 -0.25 0.65 -0.0104 -0.34 -0.01509851376359 -0.0146136363636364 -0.442740273624977 -0.592 -0.9736 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O11 mock treatment -0.0018 -0.00182 -0.05 0.659 -0.00135 -0.04 -0.00309851376358999 -0.00261363636363636 -0.0791837192330829 -0.1004 -0.967 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O12 mock treatment -0.0118 -0.0118 -0.33 0.648 -0.0124 -0.4 9.0148623641001E-4 0.00138636363636364 0.0420017988975484 -0.3988 -0.7638 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O13 compound treatment 0.0122 0.0122 0.34 0.67 0.00965 0.31 -0.00509851376358999 -0.00461363636363636 -0.139776478298398 0.297 0.6141 DHPC8.2_000114 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O14 mock treatment 0.0052 0.00519 0.15 0.666 0.00565 0.18 -9.85137635899896E-5 3.86363636363639E-4 0.0117054193648906 0.1966 0.8389 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O15 compound treatment -0.0018 -0.00182 -0.05 0.664 0.00365 0.12 0.01490148623641 0.0153863636363636 0.466151112354758 0.3081 0.637 DHPC8.2_000115 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O16 mock treatment 0.0062 0.00618 0.17 0.663 0.00265 0.09 -0.00809851376358999 -0.00761363636363636 -0.230665616896372 0.0166 0.055 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O17 compound treatment 0.0052 0.00519 0.15 0.663 0.00265 0.09 -0.00309851376358999 -0.00261363636363636 -0.0791837192330829 0.0879 0.4711 DHPC8.2_000116 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O18 mock treatment -0.0128 -0.0128 -0.36 0.648 -0.0124 -0.4 -0.00209851376358999 -0.00161363636363636 -0.048887339700425 -0.4674 -0.8642 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O19 compound treatment -8.0E-4 -8.17E-4 -0.02 0.657 -0.00335 -0.11 -0.01209851376359 -0.0116136363636364 -0.351851135027004 -0.2791 -0.7565 DHPC8.2_000117 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O20 mock treatment -0.0018 -0.0018 -0.05 0.655 -0.00535 -0.17 -0.01609851376359 -0.0156136363636364 -0.473036653157635 -0.4024 -0.7947 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O21 compound treatment -8.0E-4 -7.97E-4 -0.02 0.656 -0.00435 -0.14 0.00790148623641002 0.00838636363636365 0.254076455626153 0.0523 0.1793 DHPC8.2_000118 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O22 mock treatment 0.0062 0.00622 0.17 0.662 0.00165 0.05 0.00290148623641001 0.00338636363636364 0.102594557962864 0.1909 0.9117 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O23 compound treatment -0.0058 -0.00584 -0.16 0.655 -0.00535 -0.17 0.00890148623641002 0.00938636363636365 0.284372835158811 -0.0306 -0.0823 DHPC8.2_000119 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 O24 mock treatment -0.0118 -0.0118 -0.33 0.646 -0.0144 -0.47 -0.01209851376359 -0.0116136363636364 -0.351851135027004 -0.663 -0.9882 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P01 mock treatment 0.0042 0.00422 0.12 0.653 -0.00735 -0.24 -0.02509851376359 -0.0246136363636364 -0.745704068951555 -0.4999 -0.6313 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P02 mock treatment 0.0082 0.00819 0.23 0.66 -3.5E-4 -0.01 -0.00209851376358999 -0.00161363636363636 -0.048887339700425 0.0977 0.416 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P03 mock treatment 0.0152 0.0152 0.43 0.671 0.0107 0.35 -0.00909851376358999 -0.00861363636363636 -0.26096199642903 0.2947 0.4852 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P04 mock treatment -0.0038 -0.00384 -0.11 0.652 -0.00835 -0.27 -0.00509851376358999 -0.00461363636363636 -0.139776478298398 -0.2993 -0.9256 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P05 mock treatment -0.0088 -0.00884 -0.25 0.647 -0.0134 -0.43 0.00190148623641001 0.00238636363636364 0.0722981784302062 -0.3515 -0.6969 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P06 mock treatment -0.0048 -0.00482 -0.14 0.651 -0.00935 -0.3 0.00190148623641001 0.00238636363636364 0.0722981784302062 -0.2114 -0.622 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P07 mock treatment 0.0012 0.00122 0.03 0.65 -0.0104 -0.34 -0.01909851376359 -0.0186136363636364 -0.563925791755608 -0.4997 -0.7603 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P08 mock treatment 0.0072 0.00719 0.2 0.661 6.5E-4 0.02 -0.01109851376359 -0.0106136363636364 -0.321554755494346 -0.0572 -0.1504 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P09 mock treatment -0.0068 -0.0068 -0.19 0.641 -0.0193 -0.63 -0.00209851376358999 -0.00161363636363636 -0.048887339700425 -0.5008 -0.761 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P10 mock treatment -0.0158 -0.0158 -0.44 0.642 -0.0184 -0.6 -0.01109851376359 -0.0106136363636364 -0.321554755494346 -0.7858 -0.9708 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P11 mock treatment -0.0218 -0.0218 -0.61 0.635 -0.0254 -0.82 -0.01709851376359 -0.0166136363636364 -0.503333032690293 -1.1191 -0.9796 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P12 mock treatment -0.0028 -0.00282 -0.08 0.654 -0.00635 -0.21 -0.01309851376359 -0.0126136363636364 -0.382147514559661 -0.3852 -0.8729 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P13 mock treatment -0.0198 -0.0198 -0.56 0.639 -0.0214 -0.69 -0.01009851376359 -0.00961363636363637 -0.291258375961688 -0.8893 -0.9511 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P14 mock treatment -8.0E-4 -8.17E-4 -0.02 0.654 -0.00635 -0.21 0.00490148623641002 0.00538636363636365 0.16318731702818 -0.038 -0.144 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P15 mock treatment 0.0052 0.00518 0.15 0.664 0.00365 0.12 -0.00709851376358999 -0.00661363636363636 -0.200369237363714 0.0366 0.1334 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P16 mock treatment -0.0098 -0.00984 -0.28 0.646 -0.0144 -0.47 -0.01109851376359 -0.0106136363636364 -0.321554755494346 -0.6138 -0.9749 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P17 mock treatment -0.0188 -0.0188 -0.53 0.635 -0.0254 -0.82 -0.00809851376359 -0.00761363636363637 -0.230665616896372 -0.9131 -0.909 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P18 mock treatment 0.0082 0.00819 0.23 0.664 0.00365 0.12 -0.02209851376359 -0.0216136363636364 -0.654814930353582 -0.1772 -0.2517 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P19 mock treatment 0.0022 0.00218 0.06 0.66 -3.5E-4 -0.01 -0.00509851376358999 -0.00461363636363636 -0.139776478298398 -0.0519 -0.3394 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P20 mock treatment 0.0062 0.00618 0.17 0.659 -0.00135 -0.04 -0.00409851376358999 -0.00361363636363636 -0.109480098765741 0.0116 0.0552 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P21 mock treatment 0.0132 0.0132 0.37 0.669 0.00865 0.28 -0.01309851376359 -0.0126136363636364 -0.382147514559661 0.1555 0.2583 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P22 mock treatment 0.0052 0.00522 0.15 0.659 -0.00135 -0.04 -0.01009851376359 -0.00961363636363637 -0.291258375961688 -0.1089 -0.3311 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P23 mock treatment 0.0042 0.00418 0.12 0.658 -0.00235 -0.08 -0.01709851376359 -0.0166136363636364 -0.503333032690293 -0.2669 -0.5109 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.2412 P24 mock treatment 0.0022 0.00222 0.06 0.66 -3.5E-4 -0.01 0.02290148623641 0.0233863636363636 0.70852214861602 0.4385 0.6164 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G01 mock treatment 0.669 0.0109 0.31 -0.0418 -0.00457 -0.15 0.1122 0.3293 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G02 mock treatment 0.666 0.00795 0.22 -0.0268 0.0104 0.34 0.3965 0.9795 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G03 mock treatment 0.66 0.00195 0.05 -0.0478 -0.0106 -0.34 -0.2044 -0.5875 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G04 mock treatment 0.68 0.0219 0.62 -0.0268 0.0104 0.34 0.6741 0.9602 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G05 mock treatment 0.681 0.0229 0.64 -0.0148 0.0224 0.73 0.9697 0.9981 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G06 mock treatment 0.674 0.0159 0.45 -0.0128 0.0244 0.79 0.8769 0.9632 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G07 mock treatment 0.692 0.0339 0.95 -0.0198 0.0174 0.57 1.0731 0.9692 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G08 mock treatment 0.677 0.0189 0.53 -0.0228 0.0144 0.47 0.7068 0.998 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G09 mock treatment 0.678 0.0199 0.56 -0.0108 0.0264 0.86 1.002 0.9785 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G10 mock treatment 0.666 0.00795 0.22 -0.0138 0.0234 0.76 0.6953 0.8774 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G11 mock treatment 0.678 0.0199 0.56 -0.0288 0.00841 0.27 0.5885 0.9457 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G12 mock treatment 0.688 0.0299 0.84 -0.0098 0.0274 0.89 1.2232 0.9996 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G13 mock treatment 0.69 0.0319 0.9 -0.0258 0.0114 0.37 0.8957 0.9239 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G14 mock treatment 0.672 0.0139 0.39 -0.0168 0.0204 0.66 0.7454 0.9682 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G15 mock treatment 0.682 0.0239 0.67 -0.0118 0.0254 0.83 1.0584 0.9947 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G16 mock treatment 0.67 0.0119 0.33 -0.0328 0.00441 0.14 0.3381 0.9282 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G17 mock treatment 0.683 0.0249 0.7 -0.0128 0.0244 0.79 1.0553 0.998 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G18 mock treatment 0.672 0.0139 0.39 -0.0198 0.0174 0.57 0.6766 0.9837 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G19 mock treatment 0.686 0.0279 0.78 -0.0278 0.00941 0.31 0.7701 0.9157 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G20 mock treatment 0.647 -0.0111 -0.31 -0.0218 0.0154 0.5 0.135 0.2292 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G21 mock treatment 0.674 0.0159 0.45 -0.0188 0.0184 0.6 0.7392 0.9897 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G22 mock treatment 0.66 0.00195 0.05 -0.0238 0.0134 0.44 0.3464 0.7895 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G23 mock treatment 0.669 0.0109 0.31 -0.0208 0.0164 0.53 0.5941 0.9655 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base G24 mock treatment 0.645 -0.0131 -0.37 -0.0358 0.00141 0.05 -0.2264 -0.6137 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H01 mock treatment 0.662 0.00395 0.11 -0.0298 0.00743 0.24 0.2488 0.9375 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H02 mock treatment 0.657 -0.00105 -0.03 -0.0128 0.0244 0.79 0.5398 0.6803 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H03 mock treatment 0.664 0.00595 0.17 -0.0348 0.00241 0.08 0.1733 0.9407 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H04 mock treatment 0.671 0.0129 0.36 -0.0208 0.0164 0.53 0.6338 0.9824 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H05 mock treatment 0.674 0.0159 0.45 -0.0158 0.0214 0.7 0.808 0.9772 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H06 mock treatment 0.679 0.0209 0.59 -0.0218 0.0154 0.5 0.7694 0.9969 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H07 mock treatment 0.677 0.0189 0.53 -8.0E-4 0.0364 1.18 1.2117 0.9348 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H08 mock treatment 0.646 -0.0121 -0.34 -0.0308 0.00643 0.21 -0.0913 -0.2299 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H09 mock treatment 0.659 9.46E-4 0.03 -0.0258 0.0114 0.37 0.2811 0.7557 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H10 mock treatment 0.666 0.00795 0.22 -0.0418 -0.00457 -0.15 0.0527 0.1971 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H11 mock treatment 0.662 0.00395 0.11 -0.0268 0.0104 0.34 0.3177 0.8917 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H12 mock treatment 0.663 0.00495 0.14 -0.0308 0.00643 0.21 0.2457 0.9802 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H13 mock treatment 0.685 0.0269 0.76 -0.0228 0.0144 0.47 0.8654 0.9736 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H14 mock treatment 0.66 0.00195 0.05 -0.0148 0.0224 0.73 0.5534 0.758 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H15 mock treatment 0.654 -0.00405 -0.11 -0.0168 0.0204 0.66 0.3886 0.5775 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H16 mock treatment 0.677 0.0189 0.53 -0.0258 0.0114 0.37 0.638 0.9846 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H17 mock treatment 0.676 0.0179 0.5 -0.0228 0.0144 0.47 0.687 0.9994 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H18 mock treatment 0.65 -0.00805 -0.23 -0.0278 0.00943 0.31 0.0568 0.1493 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H19 mock treatment 0.65 -0.00805 -0.23 -0.0258 0.0114 0.37 0.1027 0.2365 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H20 mock treatment 0.672 0.0139 0.39 -0.0348 0.00241 0.08 0.3319 0.8322 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H21 mock treatment 0.671 0.0129 0.36 -0.0298 0.00741 0.24 0.4268 0.9801 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H22 mock treatment 0.638 -0.0201 -0.56 -0.0238 0.0134 0.44 -0.0897 -0.1262 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H23 mock treatment 0.66 0.00195 0.05 -0.0098 0.0274 0.89 0.6681 0.749 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base H24 mock treatment 0.672 0.0139 0.39 -0.0318 0.00541 0.18 0.4007 0.9348 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I01 mock treatment 0.662 0.00395 0.11 -0.0438 -0.00657 -0.21 -0.0725 -0.3018 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I02 mock treatment 0.646 -0.0121 -0.34 -0.0378 -5.66E-4 -0.02 -0.252 -0.7445 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I03 mock treatment 0.665 0.00695 0.19 -0.0298 0.00741 0.24 0.3078 0.9945 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I04 mock treatment 0.641 -0.0171 -0.48 -0.0528 -0.0156 -0.51 -0.6953 -0.9996 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I05 mock treatment 0.643 -0.0151 -0.42 -0.0228 0.0144 0.47 0.0328 0.052 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I06 mock treatment 0.648 -0.0101 -0.28 -0.0338 0.00341 0.11 -0.121 -0.3994 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I07 mock treatment 0.657 -0.00105 -0.03 -0.0218 0.0154 0.5 0.3333 0.6642 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I08 mock treatment 0.659 9.46E-4 0.03 -0.0458 -0.00857 -0.28 -0.1778 -0.6368 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I09 mock treatment 0.677 0.0189 0.53 -0.0398 -0.00259 -0.08 0.3162 0.5881 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I10 mock treatment 0.657 -0.00105 -0.03 -0.0338 0.00341 0.11 0.0574 0.5009 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I11 mock treatment 0.66 0.00195 0.05 -0.0248 0.0124 0.4 0.3235 0.7956 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I12 mock treatment 0.658 -5.44E-5 0.0 -0.0378 -5.86E-4 -0.02 -0.0145 -0.7613 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I13 mock treatment 0.676 0.0179 0.5 -0.0268 0.0104 0.34 0.5952 0.9814 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I14 mock treatment 0.658 -5.44E-5 0.0 -0.0318 0.00541 0.18 0.1232 0.7009 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I15 mock treatment 0.651 -0.00705 -0.2 -0.0358 0.00141 0.05 -0.1075 -0.5294 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I16 mock treatment 0.644 -0.0141 -0.39 -0.0408 -0.00359 -0.12 -0.3609 -0.8784 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I17 mock treatment 0.675 0.0169 0.48 -0.0398 -0.00259 -0.08 0.2766 0.5733 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I18 mock treatment 0.676 0.0179 0.5 -0.0368 4.14E-4 0.01 0.3653 0.7257 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I19 mock treatment 0.656 -0.00205 -0.06 -0.0238 0.0134 0.44 0.2676 0.6084 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I20 mock treatment 0.662 0.00395 0.11 -0.0418 -0.00459 -0.15 -0.027 -0.1457 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I21 mock treatment 0.675 0.0169 0.48 -0.0418 -0.00457 -0.15 0.2312 0.4645 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I22 mock treatment 0.664 0.00595 0.17 -0.0248 0.0124 0.4 0.4028 0.9237 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I23 mock treatment 0.672 0.0139 0.39 -0.0318 0.00541 0.18 0.4006 0.9347 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base I24 mock treatment 0.655 -0.00305 -0.09 -0.0618 -0.0246 -0.8 -0.6243 -0.7786 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J01 mock treatment 0.641 -0.0171 -0.48 -0.0528 -0.0156 -0.51 -0.6953 -0.9996 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J02 mock treatment 0.62 -0.0381 -1.07 -0.0468 -0.00957 -0.31 -0.974 -0.8765 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J03 mock treatment 0.642 -0.0161 -0.45 -0.0608 -0.0236 -0.76 -0.8591 -0.968 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J04 mock treatment 0.655 -0.00305 -0.09 -0.0468 -0.00959 -0.31 -0.2805 -0.8694 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J05 mock treatment 0.652 -0.00605 -0.17 -0.0398 -0.00259 -0.08 -0.1794 -0.9474 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J06 mock treatment 0.645 -0.0131 -0.37 -0.0288 0.00843 0.27 -0.0653 -0.1428 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J07 mock treatment 0.647 -0.0111 -0.31 -0.0448 -0.00759 -0.25 -0.3932 -0.9935 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J08 mock treatment 0.657 -0.00105 -0.03 -0.0398 -0.00259 -0.08 -0.0803 -0.9019 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J09 mock treatment 0.662 0.00395 0.11 -0.0378 -5.86E-4 -0.02 0.0648 0.577 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J10 mock treatment 0.648 -0.0101 -0.28 -0.0418 -0.00459 -0.15 -0.3046 -0.9555 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J11 mock treatment 0.658 -5.44E-5 0.0 -0.0318 0.00541 0.18 0.1232 0.7009 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J12 mock treatment 0.653 -0.00505 -0.14 -0.0298 0.00741 0.24 0.0699 0.2504 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J13 mock treatment 0.636 -0.0221 -0.62 -0.0408 -0.00359 -0.12 -0.5195 -0.8257 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J14 mock treatment 0.652 -0.00605 -0.17 -0.0368 4.11E-4 0.01 -0.1106 -0.6496 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J15 mock treatment 0.657 -0.00105 -0.03 -0.0458 -0.00857 -0.28 -0.2175 -0.7779 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J16 mock treatment 0.656 -0.00205 -0.06 -0.0498 -0.0126 -0.41 -0.3291 -0.799 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J17 mock treatment 0.666 0.00795 0.22 -0.0538 -0.0166 -0.54 -0.2227 -0.3826 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J18 mock treatment 0.663 0.00495 0.14 -0.0368 4.11E-4 0.01 0.1075 0.7715 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J19 mock treatment 0.658 -5.44E-5 0.0 -0.0348 0.00241 0.08 0.0543 0.6932 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J20 mock treatment 0.671 0.0129 0.36 -0.0328 0.00441 0.14 0.3579 0.9173 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J21 mock treatment 0.663 0.00495 0.14 -0.0228 0.0144 0.47 0.4288 0.8789 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J22 mock treatment 0.658 -5.44E-5 0.0 -0.0508 -0.0136 -0.44 -0.3124 -0.7096 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J23 mock treatment 0.653 -0.00505 -0.14 -0.0438 -0.00657 -0.21 -0.2509 -0.9804 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base J24 mock treatment 0.656 -0.00205 -0.06 -0.0378 -5.86E-4 -0.02 -0.0542 -0.8932 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K01 mock treatment 0.681 0.0229 0.64 -0.0308 0.00641 0.21 0.6021 0.8904 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K02 mock treatment 0.662 0.00395 0.11 -0.0418 -0.00459 -0.15 -0.027 -0.1457 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K03 mock treatment 0.67 0.0119 0.33 -0.0308 0.00641 0.21 0.384 0.9738 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K04 mock treatment 0.663 0.00495 0.14 -0.0278 0.00941 0.31 0.3141 0.9361 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K05 mock treatment 0.669 0.0109 0.31 -0.0158 0.0214 0.7 0.7089 0.9324 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K06 mock treatment 0.681 0.0229 0.64 -0.0218 0.0154 0.5 0.8091 0.9923 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K07 mock treatment 0.65 -0.00805 -0.23 -0.0048 0.0324 1.05 0.5846 0.5431 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K08 mock treatment 0.658 -5.44E-5 0.0 -0.0138 0.0234 0.76 0.5367 0.7057 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K09 mock treatment 0.669 0.0109 0.31 -0.0218 0.0154 0.5 0.5712 0.9723 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K10 mock treatment 0.674 0.0159 0.45 -0.0228 0.0144 0.47 0.6474 0.9997 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K11 mock treatment 0.679 0.0209 0.59 -0.0158 0.0214 0.7 0.9071 0.9965 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K12 mock treatment 0.678 0.0199 0.56 -0.0248 0.0124 0.4 0.6808 0.9872 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K13 mock treatment 0.651 -0.00705 -0.2 -0.0238 0.0134 0.44 0.1684 0.3518 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K14 mock treatment 0.682 0.0239 0.67 -0.0168 0.0204 0.66 0.9437 1.0 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K15 mock treatment 0.686 0.0279 0.78 -0.0108 0.0264 0.86 1.1607 0.999 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K16 mock treatment 0.677 0.0189 0.53 -0.0198 0.0174 0.57 0.7757 0.9995 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K17 mock treatment 0.662 0.00395 0.11 -0.0248 0.0124 0.4 0.3636 0.8689 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K18 mock treatment 0.684 0.0259 0.73 -0.0358 0.00141 0.05 0.5468 0.7502 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K19 mock treatment 0.672 0.0139 0.39 -0.0318 0.00541 0.18 0.4007 0.9348 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K20 mock treatment 0.655 -0.00305 -0.09 -0.0238 0.0134 0.44 0.2477 0.5576 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K21 mock treatment 0.671 0.0129 0.36 -0.0288 0.00843 0.27 0.4502 0.9903 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K22 mock treatment 0.668 0.00995 0.28 -0.0218 0.0154 0.5 0.5514 0.9618 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K23 mock treatment 0.672 0.0139 0.39 -0.0238 0.0134 0.44 0.5848 0.9985 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base K24 mock treatment 0.655 -0.00305 -0.09 -0.0228 0.0144 0.47 0.2707 0.5684 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L01 mock treatment 0.64 -0.0181 -0.51 -0.0408 -0.00359 -0.12 -0.4402 -0.8476 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L02 mock treatment 0.656 -0.00205 -0.06 -0.0338 0.00341 0.11 0.0376 0.3012 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L03 mock treatment 0.657 -0.00105 -0.03 -0.0308 0.00643 0.21 0.1267 0.601 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L04 mock treatment 0.661 0.00295 0.08 -0.0478 -0.0106 -0.34 -0.1846 -0.5223 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L05 mock treatment 0.667 0.00895 0.25 -0.0388 -0.00157 -0.05 0.1414 0.5526 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L06 mock treatment 0.678 0.0199 0.56 -0.0358 0.00141 0.05 0.4279 0.7626 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L07 mock treatment 0.656 -0.00205 -0.06 -0.0478 -0.0106 -0.34 -0.2837 -0.8143 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L08 mock treatment 0.647 -0.0111 -0.31 -0.0438 -0.00659 -0.21 -0.3703 -0.9835 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L09 mock treatment 0.66 0.00195 0.05 -0.0398 -0.00257 -0.08 -0.0203 -0.2041 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L10 mock treatment 0.655 -0.00305 -0.09 -0.0328 0.00443 0.14 0.0412 0.246 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L11 mock treatment 0.668 0.00995 0.28 -0.0258 0.0114 0.37 0.4596 0.9901 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L12 mock treatment 0.669 0.0109 0.31 -0.0278 0.00943 0.31 0.4335 1.0 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L13 mock treatment 0.684 0.0259 0.73 -0.0328 0.00443 0.14 0.6161 0.8309 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L14 mock treatment 0.665 0.00695 0.19 -0.0498 -0.0126 -0.41 -0.1507 -0.3334 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L15 mock treatment 0.68 0.0219 0.62 -0.0298 0.00743 0.24 0.6057 0.9164 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L16 mock treatment 0.349 -0.309 -8.66 -0.0218 0.0154 0.5 -5.7729 -0.6651 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L17 mock treatment 0.677 0.0189 0.53 -0.0178 0.0194 0.63 0.8216 0.9964 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L18 mock treatment 0.675 0.0169 0.48 -0.0428 -0.00559 -0.18 0.2078 0.4085 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L19 mock treatment 0.673 0.0149 0.42 -0.0288 0.00843 0.27 0.4898 0.9787 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L20 mock treatment 0.674 0.0159 0.45 -0.0238 0.0134 0.44 0.6244 0.9999 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L21 mock treatment 0.655 -0.00305 -0.09 -0.0248 0.0124 0.4 0.2248 0.5449 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L22 mock treatment 0.671 0.0129 0.36 -0.0248 0.0124 0.4 0.542 0.9986 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L23 mock treatment 0.666 0.00795 0.22 -0.0208 0.0164 0.53 0.5347 0.925 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base L24 mock treatment 0.667 0.00895 0.25 -0.0348 0.00243 0.08 0.2332 0.8869 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M01 mock treatment 0.658 -5.44E-5 0.0 -0.0358 0.00141 0.05 0.0313 0.6832 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M02 mock treatment 0.658 -5.44E-5 0.0 -0.0478 -0.0106 -0.34 -0.2436 -0.7102 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M03 mock treatment 0.657 -0.00105 -0.03 -0.0298 0.00741 0.24 0.1492 0.6156 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M04 mock treatment 0.641 -0.0171 -0.48 -0.0428 -0.00557 -0.18 -0.4658 -0.9114 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M05 mock treatment 0.662 0.00395 0.11 -0.0368 4.14E-4 0.01 0.0877 0.7872 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M06 mock treatment 0.651 -0.00705 -0.2 -0.0318 0.00541 0.18 -0.0156 -0.059 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M07 mock treatment 0.66 0.00195 0.05 -0.0278 0.00941 0.31 0.2546 0.8204 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M08 mock treatment 0.656 -0.00205 -0.06 -0.0418 -0.00459 -0.15 -0.146 -0.9146 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M09 mock treatment 0.646 -0.0121 -0.34 -0.0378 -5.86E-4 -0.02 -0.2524 -0.7457 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M10 mock treatment 0.639 -0.0191 -0.53 -0.0558 -0.0186 -0.6 -0.8038 -0.9982 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M11 mock treatment 0.664 0.00595 0.17 -0.0458 -0.00857 -0.28 -0.0787 -0.2428 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M12 mock treatment 0.657 -0.00105 -0.03 -0.0568 -0.0196 -0.64 -0.4699 -0.7392 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M13 mock treatment 0.649 -0.00905 -0.25 -0.0438 -0.00659 -0.21 -0.3306 -0.9963 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M14 mock treatment 0.653 -0.00505 -0.14 -0.0358 0.00141 0.05 -0.0678 -0.4549 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M15 mock treatment 0.658 -5.44E-5 0.0 -0.0508 -0.0136 -0.44 -0.3124 -0.7096 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M16 mock treatment 0.647 -0.0111 -0.31 -0.0598 -0.0226 -0.73 -0.737 -0.9268 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M17 mock treatment 0.654 -0.00405 -0.11 -0.0318 0.00541 0.18 0.0439 0.2096 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M18 mock treatment 0.653 -0.00505 -0.14 -0.0418 -0.00459 -0.15 -0.2055 -0.9997 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M19 mock treatment 0.666 0.00795 0.22 -0.0418 -0.00459 -0.15 0.0523 0.1951 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M20 mock treatment 0.649 -0.00905 -0.25 -0.0458 -0.00857 -0.28 -0.3761 -0.999 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M21 mock treatment 0.654 -0.00405 -0.11 -0.0408 -0.00359 -0.12 -0.1627 -0.9999 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M22 mock treatment 0.642 -0.0161 -0.45 -0.0428 -0.00559 -0.18 -0.4465 -0.9201 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M23 mock treatment 0.658 -5.44E-5 0.0 -0.0478 -0.0106 -0.34 -0.2436 -0.7102 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base M24 mock treatment 0.64 -0.0181 -0.51 -0.0568 -0.0196 -0.64 -0.807 -0.9937 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N01 mock treatment 0.614 -0.0441 -1.24 -0.0458 -0.00859 -0.28 -1.0704 -0.8454 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N02 mock treatment 0.629 -0.0291 -0.81 -0.0658 -0.0286 -0.93 -1.2316 -0.9979 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N03 mock treatment 0.644 -0.0141 -0.39 -0.0608 -0.0236 -0.76 -0.8194 -0.9524 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N04 mock treatment 0.635 -0.0231 -0.65 -0.0598 -0.0226 -0.73 -0.9749 -0.9981 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N05 mock treatment 0.615 -0.0431 -1.21 -0.0388 -0.00159 -0.05 -0.89 -0.7366 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N06 mock treatment 0.633 -0.0251 -0.7 -0.0478 -0.0106 -0.34 -0.7392 -0.9456 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N07 mock treatment 0.628 -0.0301 -0.84 -0.0538 -0.0166 -0.54 -0.976 -0.9764 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N08 mock treatment 0.598 -0.0601 -1.68 -0.0588 -0.0216 -0.7 -1.686 -0.9245 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N09 mock treatment 0.616 -0.0421 -1.18 -0.0668 -0.0296 -0.96 -1.5122 -0.9948 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N10 mock treatment 0.651 -0.00705 -0.2 -0.0458 -0.00859 -0.28 -0.3369 -0.9859 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N11 mock treatment 0.623 -0.0351 -0.98 -0.0698 -0.0326 -1.06 -1.4423 -0.9993 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N12 mock treatment 0.655 -0.00305 -0.09 -0.0538 -0.0166 -0.54 -0.4412 -0.8094 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N13 mock treatment 0.664 0.00595 0.17 -0.0488 -0.0116 -0.38 -0.148 -0.3599 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N14 mock treatment 0.648 -0.0101 -0.28 -0.0598 -0.0226 -0.73 -0.7172 -0.9139 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N15 mock treatment 0.633 -0.0251 -0.7 -0.0328 0.00441 0.14 -0.3954 -0.5516 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N16 mock treatment 0.634 -0.0241 -0.67 -0.0508 -0.0136 -0.44 -0.7887 -0.9788 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N17 mock treatment 0.634 -0.0241 -0.67 -0.0618 -0.0246 -0.8 -1.0406 -0.9965 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N18 mock treatment 0.596 -0.0621 -1.74 -0.0478 -0.0106 -0.34 -1.4732 -0.8307 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N19 mock treatment 0.645 -0.0131 -0.37 -0.0688 -0.0316 -1.02 -0.9832 -0.9038 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N20 mock treatment 0.648 -0.0101 -0.28 -0.0568 -0.0196 -0.64 -0.6489 -0.933 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N21 mock treatment 0.652 -0.00605 -0.17 -0.0408 -0.00359 -0.12 -0.2023 -0.9831 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N22 mock treatment 0.65 -0.00805 -0.23 -0.0508 -0.0136 -0.44 -0.471 -0.9519 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N23 mock treatment 0.66 0.00195 0.05 -0.0498 -0.0126 -0.41 -0.2498 -0.6071 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base N24 mock treatment 0.652 -0.00605 -0.17 -0.0668 -0.0296 -0.96 -0.799 -0.8194 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O01 mock treatment 0.674 0.0159 0.45 -0.0348 0.00241 0.08 0.3715 0.8185 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O02 mock treatment 0.663 0.00495 0.14 -0.0388 -0.00159 -0.05 0.0616 0.4168 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O03 mock treatment 0.66 0.00195 0.05 -0.0428 -0.00557 -0.18 -0.0892 -0.4725 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O04 mock treatment 0.66 0.00195 0.05 -0.0368 4.14E-4 0.01 0.0481 0.8557 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O05 mock treatment 0.663 0.00495 0.14 -0.0368 4.14E-4 0.01 0.1075 0.772 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O06 mock treatment 0.654 -0.00405 -0.11 -0.0388 -0.00159 -0.05 -0.1168 -0.9358 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O07 mock treatment 0.645 -0.0131 -0.37 -0.0288 0.00841 0.27 -0.0657 -0.1439 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O08 mock treatment 0.658 -5.44E-5 0.0 -0.0498 -0.0126 -0.41 -0.2895 -0.7097 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O09 mock treatment 0.66 0.00195 0.05 -0.0338 0.00341 0.11 0.1168 0.9468 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O10 mock treatment 0.645 -0.0131 -0.37 -0.0488 -0.0116 -0.38 -0.5242 -0.9999 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O11 mock treatment 0.655 -0.00305 -0.09 -0.0458 -0.00857 -0.28 -0.2571 -0.8839 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O12 mock treatment 0.659 9.46E-4 0.03 -0.0518 -0.0146 -0.47 -0.3155 -0.6664 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O13 mock treatment 0.65 -0.00805 -0.23 -0.0288 0.00841 0.27 0.0334 0.0943 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O14 mock treatment 0.654 -0.00405 -0.11 -0.0368 4.11E-4 0.01 -0.071 -0.6199 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O15 mock treatment 0.673 0.0149 0.42 -0.0398 -0.00259 -0.08 0.2369 0.5545 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O16 mock treatment 0.65 -0.00805 -0.23 -0.0378 -5.86E-4 -0.02 -0.1731 -0.764 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O17 mock treatment 0.652 -0.00605 -0.17 -0.0398 -0.00259 -0.08 -0.1794 -0.9473 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O18 mock treatment 0.654 -0.00405 -0.11 -0.0578 -0.0206 -0.67 -0.5523 -0.8158 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O19 mock treatment 0.643 -0.0151 -0.42 -0.0468 -0.00957 -0.31 -0.518 -0.9886 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O20 mock treatment 0.639 -0.0191 -0.53 -0.0478 -0.0106 -0.34 -0.6202 -0.977 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O21 mock treatment 0.665 0.00695 0.19 -0.0468 -0.00957 -0.31 -0.0818 -0.2233 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O22 mock treatment 0.657 -0.00105 -0.03 -0.0408 -0.00359 -0.12 -0.1032 -0.8594 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O23 mock treatment 0.664 0.00595 0.17 -0.0528 -0.0156 -0.51 -0.2394 -0.4499 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base O24 mock treatment 0.641 -0.0171 -0.48 -0.0628 -0.0256 -0.83 -0.9248 -0.9657 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P01 mock treatment 0.642 -0.0161 -0.45 -0.0448 -0.00759 -0.25 -0.4924 -0.9597 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P02 mock treatment 0.654 -0.00405 -0.11 -0.0428 -0.00559 -0.18 -0.2086 -0.9747 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P03 mock treatment 0.647 -0.0111 -0.31 -0.0318 0.00541 0.18 -0.0949 -0.2664 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P04 mock treatment 0.648 -0.0101 -0.28 -0.0558 -0.0186 -0.6 -0.6254 -0.9401 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P05 mock treatment 0.66 0.00195 0.05 -0.0548 -0.0176 -0.57 -0.3646 -0.6365 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P06 mock treatment 0.658 -5.44E-5 0.0 -0.0558 -0.0186 -0.6 -0.4271 -0.7089 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P07 mock treatment 0.639 -0.0191 -0.53 -0.0518 -0.0146 -0.47 -0.712 -0.9981 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P08 mock treatment 0.647 -0.0111 -0.31 -0.0718 -0.0346 -1.12 -1.0129 -0.8698 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P09 mock treatment 0.653 -0.00505 -0.14 -0.0608 -0.0236 -0.76 -0.641 -0.8241 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P10 mock treatment 0.651 -0.00705 -0.2 -0.0678 -0.0306 -0.99 -0.8413 -0.8317 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P11 mock treatment 0.655 -0.00305 -0.09 -0.0708 -0.0336 -1.09 -0.8309 -0.7603 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P12 mock treatment 0.645 -0.0131 -0.37 -0.0508 -0.0136 -0.44 -0.5701 -0.9958 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P13 mock treatment 0.654 -0.00405 -0.11 -0.0628 -0.0256 -0.83 -0.6671 -0.7965 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P14 mock treatment 0.667 0.00895 0.25 -0.0478 -0.0106 -0.34 -0.0656 -0.1542 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P15 mock treatment 0.65 -0.00805 -0.23 -0.0438 -0.00659 -0.21 -0.3108 -0.9996 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P16 mock treatment 0.651 -0.00705 -0.2 -0.0558 -0.0186 -0.6 -0.5659 -0.8924 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P17 mock treatment 0.651 -0.00705 -0.2 -0.0648 -0.0276 -0.89 -0.7725 -0.8431 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P18 mock treatment 0.636 -0.0221 -0.62 -0.0448 -0.00759 -0.25 -0.6113 -0.9185 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P19 mock treatment 0.651 -0.00705 -0.2 -0.0428 -0.00559 -0.18 -0.2681 -0.9991 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P20 mock treatment 0.649 -0.00905 -0.25 -0.0468 -0.00959 -0.31 -0.3995 -0.9949 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P21 mock treatment 0.652 -0.00605 -0.17 -0.0328 0.00441 0.14 -0.0188 -0.0847 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P22 mock treatment 0.649 -0.00905 -0.25 -0.0488 -0.0116 -0.38 -0.4449 -0.9819 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P23 mock treatment 0.641 -0.0171 -0.48 -0.0428 -0.00557 -0.18 -0.4658 -0.9114 1021.0033 Calc(E1-E2)(1021.0033) DihydroorotateDehydrogenase 1021.0033.Base P24 mock treatment 0.678 0.0199 0.56 -0.0508 -0.0136 -0.44 0.0841 0.1182