ASSAY_ID ASSAY PROJECT PLATE WELL WELL_TYPE RAW_VALUE_A BSUB_VALUE_A Z_SCORE_A RAW_VALUE_B BSUB_VALUE_B Z_SCORE_B COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A01 mock treatment 0.373 0.00912 0.35 0.389 0.0321 1.29 1.1588 0.8662 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A02 mock treatment 0.363 -8.75E-4 -0.03 0.368 0.0111 0.45 0.2918 0.6526 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A03 compound treatment 0.374 0.0101 0.38 0.357 6.45E-5 0.0 0.2739 0.7119 2060025 SpecPlus_000001 CC(=O)O[C@H]1C[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@]32[C@]4(C)[C@@H](CC5C(C)(C)[C@@H](C[C@H](OC(=O)C)[C@]5(C)C14)OC(=O)C)OC(=O)C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A04 compound treatment 0.361 -0.00288 -0.11 0.361 0.00406 0.16 0.0386 0.1959 2060026 SpecPlus_000002 COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@@H]2CC3C(CC[C@@]4(C)[C@@H](OC(=O)CC34)c5ccoc5)[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A05 compound treatment 0.371 0.00712 0.27 0.369 0.0121 0.49 0.5352 0.9618 3054122 SpecPlus_000003 CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@]32[C@@]4(C)C1[C@@]5(C)C=CC(=O)C(C)(C)C5=C(O)C4=O)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A06 compound treatment 0.364 1.25E-4 0.0 0.355 -0.00194 -0.08 -0.0518 -0.6628 2060027 SpecPlus_000004 CC(=O)O[C@@H]1CC2C(C)(C)[C@@H](O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A07 compound treatment 0.385 0.0211 0.8 0.366 0.00906 0.37 0.8259 0.9365 2060028 SpecPlus_000005 COC(=O)C[C@H]1C2(C)CC3(OC4(C)O[C@@]56[C@H](OC(=O)C)[C@@]3(O)C2OC(=O)C(C)C)[C@]1(C)[C@@]6(O4)[C@H](OC(=O)C)C(OC(=O)C)[C@@]7(C)[C@@H](OC(=O)/C(=C(\O)/C(C)C)/C57)c8ccoc8 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A08 compound treatment 0.37 0.00612 0.23 0.381 0.0241 0.97 0.8503 0.8526 2060029 SpecPlus_000006 CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A09 compound treatment 0.355 -0.00888 -0.34 0.366 0.00906 0.37 0.0198 0.0398 2060030 SpecPlus_000007 COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3C(CC[C@@]4(C)[C@@H](OC(=O)C=C34)c5ccoc5)[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A10 compound treatment 0.37 0.00612 0.23 0.364 0.00706 0.28 0.3659 0.995 3173352 SpecPlus_000008 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A11 compound treatment 0.372 0.00812 0.31 0.367 0.0101 0.41 0.5051 0.9909 2060031 SpecPlus_000009 C[C@]12CCC3[C@@]4(C)C=CC(=O)C(C)(C)C4=C(O)C(=O)[C@@]3(C)[C@]25O[C@@H]5C[C@H]1c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A12 compound treatment 0.364 1.25E-4 0.0 0.374 0.0171 0.69 0.4896 0.712 2060032 SpecPlus_000010 C[C@]12CCC3[C@@](C)([C@H](O)CC4[C@]3(C)[C@@H](O)CC(=O)OC4(C)C)C25OC5C(=O)OC1c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A13 compound treatment 0.379 0.0151 0.57 0.378 0.0211 0.85 1.0066 0.982 2060033 SpecPlus_000011 CO[C@@H]1C(OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(=O)/C(=C(\O)/C(C)C)/C2[C@@]34OC5(C)O[C@]14[C@]6(C)[C@@H](CC(=O)OC)C7(C)CC6(O5)[C@](OC)(C7OC(=O)C)[C@H]3OC)c8ccoc8 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A14 compound treatment 0.346 -0.0179 -0.68 0.353 -0.00394 -0.16 -0.5925 -0.8494 2060034 SpecPlus_000012 CC(C)c1c(O)ccc2c1CCC3[C@](C)(CCC[C@@]32C)C=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A15 compound treatment 0.372 0.00812 0.31 0.373 0.0161 0.65 0.6761 0.9426 2060035 SpecPlus_000013 CC1(C)C2C[C@@H](O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)[C@@]2(C)C=CC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A16 compound treatment 0.366 0.00212 0.08 0.366 0.00906 0.37 0.3154 0.8431 2060036 SpecPlus_000014 CC1=CCc2c(O)c3c(=O)cc(C)oc3cc2OC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A17 compound treatment 0.376 0.0121 0.46 0.37 0.0131 0.53 0.6981 0.9978 2060037 SpecPlus_000015 CC(=O)O[C@@H]1CC[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A18 compound treatment 0.351 -0.0129 -0.49 0.364 0.00706 0.28 -0.1447 -0.2556 3054128 SpecPlus_000016 COC1C[C@H]2N3CC(O)C2(C=C1)c4cc5OCOc5cc4C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A19 compound treatment 0.367 0.00312 0.12 0.37 0.0131 0.53 0.4562 0.8454 2060038 SpecPlus_000017 COC(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)C2CC[C@@]3(C)[C@@H](OC(=O)C=C3C2=C)c4ccoc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A20 compound treatment 0.372 0.00812 0.31 0.366 0.00906 0.37 0.4766 0.9965 2060039 SpecPlus_000018 CC(=CCc1c(O)cc2oc(C)cc(=O)c2c1O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A21 compound treatment 0.358 -0.00588 -0.22 0.368 0.0111 0.45 0.1574 0.3157 3173357 SpecPlus_000019 CC(=C)[C@@H]1CC[C@@]2(CCC3[C@H](CCC4[C@@]3(C)CCC5C(C)(C)[C@H](O)CC[C@@]54C)C12)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A22 compound treatment 0.366 0.00212 0.08 0.362 0.00506 0.2 0.2014 0.9177 3054129 SpecPlus_000020 CO[C@@H]1CC2N3CC(O)C2(C=C1)c4cc5OCOc5c(OC)c4C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A23 positive control 0.073 -0.291 -11.05 0.074 -0.283 -11.4 -15.878 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 A24 positive control 0.073 -0.291 -11.05 0.074 -0.283 -11.4 -15.878 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B01 mock treatment 0.372 0.00812 0.31 0.381 0.0241 0.97 0.904 0.8883 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B02 mock treatment 0.367 0.00312 0.12 0.365 0.00806 0.32 0.3138 0.9068 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B03 compound treatment 0.36 -0.00388 -0.15 0.358 0.00106 0.04 -0.0738 -0.4811 2060040 SpecPlus_000021 CCOC(=O)C1(O)Oc2cc(OC)cc(OC)c2C(=O)C1c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B04 compound treatment 0.378 0.0141 0.54 0.372 0.0151 0.61 0.8088 0.9981 3054130 SpecPlus_000022 CC(CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)C4(C)CC[C@H](OC(=O)C)C(C)(C)C4CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B05 compound treatment 0.356 -0.00788 -0.3 0.347 -0.00994 -0.4 -0.4947 -0.9897 2060041 SpecPlus_000023 COc1cc2CCN(C)C(Cc3ccc(O)cc3)c2cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B06 compound treatment 0.356 -0.00788 -0.3 0.361 0.00406 0.16 -0.0958 -0.2808 2060042 SpecPlus_000024 CCC(C)c1cnc(CC(C)C)c(=O)n1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B07 compound treatment 0.371 0.00712 0.27 0.363 0.00606 0.24 0.3643 0.9987 2060043 SpecPlus_000025 COc1cc(OC)c(Cl)c2OC3(C(C)CC(=O)C=C3O)C(=O)c21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B08 compound treatment 0.298 -0.0659 -2.5 0.3 -0.0569 -2.29 -3.3924 -0.9991 2060044 SpecPlus_000026 CC(=O)Oc1cc(cc(OC(=O)C)c1OC(=O)C)c2coc3cc(OC(=O)C)c(OC(=O)C)c(OC(=O)C)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B09 compound treatment 0.408 0.0441 1.68 0.418 0.0611 2.46 2.9257 0.9825 2060045 SpecPlus_000027 CC(=C)/C=C\1/C=CC(=O)C(=C1)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B10 compound treatment 0.367 0.00312 0.12 0.372 0.0151 0.61 0.5132 0.8297 2060046 SpecPlus_000028 C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)[C@@]4(C)O[C@]43[C@H]2OC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B11 compound treatment 0.366 0.00212 0.08 0.363 0.00606 0.24 0.2299 0.8933 2060047 SpecPlus_000029 OC(C(=O)O)C(O)(Cc1ccc(O)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B12 compound treatment 0.368 0.00412 0.16 0.368 0.0111 0.45 0.4261 0.9016 2060048 SpecPlus_000030 CC(=O)c1c(O)c(C)c(O)c2c1oc3c(C(=O)C)c(O)c(C)c(O)c32 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B13 compound treatment 0.375 0.0111 0.42 0.375 0.0181 0.73 0.8137 0.9666 2060049 SpecPlus_000031 Cc1cc(=O)c2c(O)c(C)c(O)cc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B14 compound treatment 0.376 0.0121 0.46 0.373 0.0161 0.65 0.7836 0.9861 2060050 SpecPlus_000032 COc1ccc(cc1)c2cc(=O)c3c(OC)cccc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B15 compound treatment 0.354 -0.00988 -0.38 0.36 0.00306 0.12 -0.178 -0.4506 2060051 SpecPlus_000033 Cc1cc(=O)c2c(O)cc(O)c(C)c2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B16 compound treatment 0.367 0.00312 0.12 0.362 0.00506 0.2 0.2283 0.9668 2069262 SpecPlus_000034 COc1cc(/C=C/C=O)cc(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B17 compound treatment 0.364 1.25E-4 0.0 0.359 0.00206 0.08 0.0622 0.7463 2060052 SpecPlus_000035 Oc1ccc2C3=C4C=CC(=O)C=C4C[C@@]3(O)COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B18 compound treatment 0.389 0.0251 0.95 0.38 0.0231 0.93 1.3323 0.9999 2060053 SpecPlus_000036 COc1c(CC=C(C)C)c2OC(C)(C)C=Cc2c3oc(=O)c(c(OC(=O)C)c13)c4ccc(OC(=O)C)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B19 compound treatment 0.366 0.00212 0.08 0.363 0.00606 0.24 0.2299 0.8933 2060054 SpecPlus_000037 CC(=O)OC(OC(=O)C)c1c(OC(=O)C)cc(C)c2C(=O)Oc3c(C)c(OC(=O)C)c4C(=O)OC(OC(=O)C)c4c3Oc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B20 compound treatment 0.352 -0.0119 -0.45 0.357 6.45E-5 0.0 -0.3173 -0.703 3173360 SpecPlus_000038 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4CCCC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B21 compound treatment 0.373 0.00912 0.35 0.371 0.0141 0.57 0.646 0.9722 2120750 SpecPlus_000039 CC(C)C(C)/C=C/C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B22 compound treatment 0.359 -0.00488 -0.19 0.357 6.45E-5 0.0 -0.1292 -0.6971 3173475 SpecPlus_000040 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](OC3O[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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B23 positive control 0.073 -0.291 -11.05 0.073 -0.284 -11.44 -15.9065 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 B24 positive control 0.073 -0.291 -11.05 0.074 -0.283 -11.4 -15.878 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C01 mock treatment 0.375 0.0111 0.42 0.378 0.0211 0.85 0.8992 0.9482 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C02 mock treatment 0.364 1.25E-4 0.0 0.355 -0.00194 -0.08 -0.0518 -0.6628 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C03 compound treatment 0.371 0.00712 0.27 0.372 0.0151 0.61 0.6207 0.9338 2060055 SpecPlus_000041 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C04 compound treatment 0.366 0.00212 0.08 0.338 -0.0189 -0.76 -0.4824 -0.6288 2060056 SpecPlus_000042 COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C05 compound treatment 0.362 -0.00188 -0.07 0.355 -0.00194 -0.08 -0.1055 -0.999 2060057 SpecPlus_000043 COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C06 compound treatment 0.356 -0.00788 -0.3 0.361 0.00406 0.16 -0.0958 -0.2808 1352641 SpecPlus_000044 COc1c2ccoc2nc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C07 compound treatment 0.368 0.00412 0.16 0.366 0.00906 0.37 0.3691 0.9287 1094519 SpecPlus_000045 CC(=O)N1CCCC1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C08 compound treatment 0.38 0.0161 0.61 0.376 0.0191 0.77 0.9765 0.9937 2060058 SpecPlus_000046 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C09 compound treatment 0.383 0.0191 0.73 0.369 0.0121 0.49 0.8577 0.9809 2060059 SpecPlus_000047 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](C[C@H]5O[C@]543)c6ccoc6)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C10 compound treatment 0.351 -0.0129 -0.49 0.348 -0.00894 -0.36 -0.6006 -0.9886 3173478 SpecPlus_000048 C[C@H]1C(=O)CCC2[C@]1(C)CCC3[C@@]2(C)CC[C@@]4(C)C5CC(C)(C)CC[C@]5(C)CC[C@]34C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C11 compound treatment 0.37 0.00612 0.23 0.367 0.0101 0.41 0.4514 0.9653 2060060 SpecPlus_000049 CC1(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)[C@@]2(C)C=CC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C12 compound treatment 0.37 0.00612 0.23 0.368 0.0111 0.45 0.4799 0.9541 2060061 SpecPlus_000050 Cc1cc(=O)c2c(O)c3CCC(C)(C)Oc3cc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C13 compound treatment 0.348 -0.0159 -0.6 0.352 -0.00494 -0.2 -0.5672 -0.8929 2060062 SpecPlus_000051 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C14 compound treatment 0.364 1.25E-4 0.0 0.37 0.0131 0.53 0.3756 0.7135 3054135 SpecPlus_000052 CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C4C5CC(C)(C)CC[C@]5(C)CC[C@]43C)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C15 compound treatment 0.407 0.0431 1.64 0.415 0.0581 2.34 2.8133 0.9848 2060063 SpecPlus_000053 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](C(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C16 compound treatment 0.365 0.00112 0.04 0.356 -9.35E-4 -0.04 0.0036 0.0627 3054136 SpecPlus_000054 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C17 compound treatment 0.381 0.0171 0.65 0.379 0.0221 0.89 1.0889 0.9882 2060064 SpecPlus_000055 CCC(C)C(=O)OC1[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@](C)([C@@H](CC(=O)OC)C1(C)C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C18 compound treatment 0.358 -0.00588 -0.22 0.362 0.00506 0.2 -0.0136 -0.0448 2060065 SpecPlus_000056 COC[C@@]12CN(C=O)C3[C@@H]4[C@H](OC)C2[C@]3(C5CC6(O)C(OC(=O)c7ccccc7)C5C4(OC(=O)C)C(O)C6OC)[C@H](C[C@H]1O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C19 compound treatment 0.371 0.00712 0.27 0.375 0.0181 0.73 0.7062 0.9093 2060066 SpecPlus_000057 COC(=O)CC1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C20 compound treatment 0.391 0.0271 1.03 0.389 0.0321 1.29 1.6425 0.9937 2060067 SpecPlus_000058 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C21 compound treatment 0.333 -0.0309 -1.17 0.326 -0.0309 -1.25 -1.7111 -0.9995 3173485 SpecPlus_000059 OC[C@H]1O[C@H](Oc2cccc3[C@H]([C@@H]4c5cccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C22 compound treatment 0.376 0.0121 0.46 0.372 0.0151 0.61 0.7551 0.9907 2060068 SpecPlus_000060 COC1C(O)C(O[C@H]2CC[C@]3(C=O)C4[C@@H](C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)OC(=O)C)OC(C)C1OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C23 positive control 0.074 -0.29 -11.02 0.072 -0.285 -11.48 -15.9081 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 C24 positive control 0.077 -0.287 -10.9 0.074 -0.283 -11.4 -15.7705 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D01 mock treatment 0.378 0.0141 0.54 0.386 0.0291 1.17 1.2077 0.9374 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D02 mock treatment 0.359 -0.00488 -0.19 0.364 0.00706 0.28 0.0703 0.207 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D03 compound treatment 0.422 0.0581 2.21 0.409 0.0521 2.1 3.0454 0.9997 2060069 SpecPlus_000061 COc1cc(cc(O)c1OC)c2coc3cc(OCc4ccccc4)c(OC)c(O)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D04 compound treatment 0.37 0.00612 0.23 0.366 0.00906 0.37 0.4229 0.9763 3173486 SpecPlus_000062 CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CCC3C2CC[C@]4(C)C(CC[C@]34O)C5=CC(=O)OC5)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D05 compound treatment 0.268 -0.0959 -3.64 0.255 -0.102 -4.11 -5.4808 -0.9982 2060070 SpecPlus_000063 COc1c(O)cc(O)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D06 compound treatment 0.403 0.0391 1.49 0.399 0.0421 1.7 2.2499 0.9979 2060071 SpecPlus_000064 CCOC(=O)c1c(C)cc(O)c(C=O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D07 compound treatment 0.283 -0.0809 -3.07 0.288 -0.0689 -2.78 -4.1374 -0.9987 2060072 SpecPlus_000065 Oc1ccc(cc1)C(C=C)C2=CC(=O)C=CC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D08 compound treatment 0.367 0.00312 0.12 0.368 0.0111 0.45 0.3992 0.8653 2060073 SpecPlus_000066 CC(=O)OCC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D09 compound treatment 0.364 1.25E-4 0.0 0.367 0.0101 0.41 0.2901 0.7153 2060074 SpecPlus_000067 COc1cc2OCC3Oc4c5CC(Oc5cc(OC(=O)C)c4C(=O)C3c2cc1OC)C(=C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D10 compound treatment 0.353 -0.0109 -0.41 0.364 0.00706 0.28 -0.0909 -0.1812 2060075 SpecPlus_000068 CC(C)CCCC(C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)C4CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D11 compound treatment 0.366 0.00212 0.08 0.367 0.0101 0.41 0.3439 0.8316 2060076 SpecPlus_000069 COc1cc(OC)c2c(=O)cc(oc2c1)c3ccc(OC)c(I)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D12 compound treatment 0.397 0.0331 1.26 0.393 0.0361 1.45 1.9177 0.9974 2060077 SpecPlus_000070 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CCC=C4C(=O)c3c(O)c2C=C1)C(C/C=C(\C)/C(=O)O)(OC5(C)C)C(=O)O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D13 compound treatment 0.372 0.00812 0.31 0.365 0.00806 0.32 0.4481 0.9997 1095778 SpecPlus_000071 COc1cc(C)c2c(=O)c3c(O)cc(OC)cc3oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D14 compound treatment 0.388 0.0241 0.92 0.374 0.0171 0.69 1.1345 0.99 3054028 SpecPlus_000072 CC(CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)C4(C)CC[C@H](O)C(C)(C)C4CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D15 compound treatment 0.388 0.0241 0.92 0.356 -9.35E-4 -0.04 0.6216 0.6775 2060078 SpecPlus_000073 COc1cc2OC[C@H]3Oc4c(CC=C(C)C)c(O)ccc4C(=O)[C@H]3c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D16 compound treatment 0.425 0.0611 2.32 0.409 0.0521 2.1 3.126 0.9987 2060079 SpecPlus_000074 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6C=C4C(=O)c3c(O)c2C=C1)C(C/C=C(/C)\C(=O)O)(OC5(C)C)C6O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D17 compound treatment 0.355 -0.00888 -0.34 0.367 0.0101 0.41 0.0483 0.0916 3054030 SpecPlus_000075 Oc1cc(O)cc(/C=C/c2ccccc2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D18 compound treatment 0.401 0.0371 1.41 0.394 0.0371 1.49 2.0537 0.9996 2060080 SpecPlus_000076 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6CC4C(=O)c3c(O)c2C=C1)C(C/C=C(/C)\C(=O)O)(OC5(C)C)C6O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D19 compound treatment 0.341 -0.0229 -0.87 0.338 -0.0189 -0.76 -1.1542 -0.9979 3054032 SpecPlus_000077 COc1cc(C/C=C/c2ccccc2)c(OC)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D20 compound treatment 0.368 0.00412 0.16 0.363 0.00606 0.24 0.2836 0.977 2060081 SpecPlus_000078 CC(=CCc1c(O)cc(C)oc1=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D21 compound treatment 0.293 -0.0709 -2.69 0.303 -0.0539 -2.17 -3.4413 -0.9943 1092958 SpecPlus_000079 COC1=CC(=O)C(=CC1=O)C(C=C)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D22 compound treatment 0.454 0.0901 3.42 0.445 0.0881 3.55 4.931 0.9998 2060082 SpecPlus_000080 COC(=O)c1cc(OC)c(=O)c2c(OC)c(OC)ccc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D23 positive control 0.073 -0.291 -11.05 0.073 -0.284 -11.44 -15.9065 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 D24 positive control 0.078 -0.286 -10.86 0.074 -0.283 -11.4 -15.7437 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E01 mock treatment 0.38 0.0161 0.61 0.36 0.00306 0.12 0.5206 0.8329 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E02 mock treatment 0.368 0.00412 0.16 0.36 0.00306 0.12 0.1982 0.993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E03 compound treatment 0.364 1.25E-4 0.0 0.354 -0.00294 -0.12 -0.0803 -0.6782 2060083 SpecPlus_000081 COC(=O)C(O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E04 compound treatment 0.367 0.00312 0.12 0.373 0.0161 0.65 0.5417 0.8231 2060084 SpecPlus_000082 C[C@@]12CCC3C(CC[C@H]4CC=CC[C@@]43C)C2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E05 compound treatment 0.364 1.25E-4 0.0 0.358 0.00106 0.04 0.0337 0.7806 2060085 SpecPlus_000083 C[C@]12CCC3[C@@](C)([C@H](O)CC4[C@]3(C)C=CC(=O)OC4(C)C)C25OC5C(=O)O[C@H]1c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E06 compound treatment 0.405 0.0411 1.56 0.392 0.0351 1.41 2.1042 0.9987 2060086 SpecPlus_000084 CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC32OC4(C)OC53[C@H](OC(=O)C(C)C)[C@@]6(O)[C@@H](OC(=O)C7(C)OC7C)[C@@]8(C)C[C@]6(O)[C@@](C)([C@H]8CC(=O)OC)C15O4)c9ccoc9 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E07 compound treatment 0.376 0.0121 0.46 0.37 0.0131 0.53 0.6981 0.9978 2060087 SpecPlus_000085 COC(=O)C(O)[C@H]1C(C)(C)C(OC(=O)/C(=C/C)/C)[C@@H]2C=C3C(CC[C@@]4(C)[C@@H](OC(=O)CC34)c5ccoc5)[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E08 compound treatment 0.361 -0.00288 -0.11 0.365 0.00806 0.32 0.1525 0.4449 2060088 SpecPlus_000086 COc1cc2ccc(=O)oc2c(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E09 compound treatment 0.4 0.0361 1.37 0.382 0.0251 1.01 1.6849 0.9886 2060089 SpecPlus_000087 CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC32OC4(C)O[C@]53[C@H](OC(=O)C)[C@@]6(O)C(OC(=O)C7(C)OC7C)C8(C)CC6(O)[C@@](C)([C@H]8CC(=O)OC)[C@@]15O4)c9ccoc9 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E10 compound treatment 0.362 -0.00188 -0.07 0.363 0.00606 0.24 0.1224 0.4809 1000946 SpecPlus_000088 COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E11 compound treatment 0.379 0.0151 0.57 0.376 0.0191 0.77 0.9496 0.9898 2060090 SpecPlus_000089 COC(=O)C[C@H]1C(C)(C)C(OC(=O)C)[C@]2(O)C=C3C(CC[C@@]4(C)[C@@H](OC(=O)CC34)c5ccoc5)[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E12 compound treatment 0.366 0.00212 0.08 0.351 -0.00594 -0.24 -0.112 -0.4438 1029487 SpecPlus_000090 OCC(O)Cc1ccc2OCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E13 compound treatment 0.407 0.0431 1.64 0.399 0.0421 1.7 2.3574 0.9999 2060091 SpecPlus_000091 CC(CC(O)C1OC1(C)C)[C@@H]2CCC3(C)C4=CCC5C(C)(C)C(=O)CCC5(C)C4CC[C@@]23C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E14 compound treatment 0.356 -0.00788 -0.3 0.381 0.0241 0.97 0.4741 0.4672 2060092 SpecPlus_000092 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(=O)C)[C@@]4(C)C(=O)CC32)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E15 compound treatment 0.402 0.0381 1.45 0.383 0.0261 1.05 1.7671 0.9875 2060093 SpecPlus_000093 CC([C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C)C5OC(C)(C)C(O)C5O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E16 compound treatment 0.359 -0.00488 -0.19 0.364 0.00706 0.28 0.0703 0.207 3472730 SpecPlus_000094 CC12CCC3C(CC=C4CC(O)CCC34C)C2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E17 compound treatment 0.38 0.0161 0.61 0.368 0.0111 0.45 0.7486 0.9878 2060094 SpecPlus_000095 COC(=O)C(O)[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E18 compound treatment 0.408 0.0441 1.68 0.387 0.0301 1.21 2.0423 0.9873 3173612 SpecPlus_000096 CC(=O)OC1CC2(O)C3CCC4CC(CC[C@]4(C)C3CC[C@]2(C)C1C5=CC(=O)OC5)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E19 compound treatment 0.36 -0.00388 -0.15 0.368 0.0111 0.45 0.2111 0.4497 2060095 SpecPlus_000097 COC(=O)C[C@H]1C(C)(C)[C@@H](O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E20 compound treatment 0.361 -0.00288 -0.11 0.36 0.00306 0.12 0.0101 0.0611 2060096 SpecPlus_000098 CC(=O)O[C@@H]1CC(=O)[C@@]2(C)C(CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E21 compound treatment 0.366 0.00212 0.08 0.373 0.0161 0.65 0.5148 0.7892 2060097 SpecPlus_000099 C[C@]12CCC3C([C@H](O)CC4C(C)(C)C(=O)C=C[C@]34C)[C@]25O[C@@H]5C[C@H]1c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E22 compound treatment 0.368 0.00412 0.16 0.363 0.00606 0.24 0.2836 0.977 2060098 SpecPlus_000100 C[C@@]12CCC3C(CC[C@H]4C[C@@H](Cl)CC[C@@]43C)C2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E23 positive control 0.074 -0.29 -11.02 0.073 -0.284 -11.44 -15.8797 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 E24 positive control 0.077 -0.287 -10.9 0.077 -0.28 -11.28 -15.6851 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F01 mock treatment 0.378 0.0141 0.54 0.386 0.0291 1.17 1.2077 0.9374 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F02 mock treatment 0.366 0.00212 0.08 0.356 -9.35E-4 -0.04 0.0304 0.3416 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F03 compound treatment 0.363 -8.75E-4 -0.03 0.354 -0.00294 -0.12 -0.1072 -0.8721 3173615 SpecPlus_000101 CCC(CCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F04 compound treatment 0.377 0.0131 0.5 0.389 0.0321 1.29 1.2663 0.9143 2060099 SpecPlus_000102 Oc1cc(O)c2c(=O)c(coc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F05 compound treatment 0.447 0.0831 3.16 0.444 0.0871 3.51 4.7145 0.9986 2060100 SpecPlus_000103 OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F06 compound treatment 0.373 0.00912 0.35 0.382 0.0251 1.01 0.9594 0.8984 2060101 SpecPlus_000104 COc1ccc(cc1OC)[C@H]2Oc3c(I)c(OC)cc(OC)c3C[C@@H]2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F07 compound treatment 0.372 0.00812 0.31 0.359 0.00206 0.08 0.2772 0.8667 2060102 SpecPlus_000105 COc1ccc2C(=O)c3cc(OC)c(OC)cc3CC(=O)COc2c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F08 compound treatment 0.422 0.0581 2.21 0.395 0.0381 1.53 2.6465 0.9841 2060103 SpecPlus_000106 COc1ccc2C(=O)[C@@H]3[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1CC=C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F09 compound treatment 0.37 0.00612 0.23 0.372 0.0151 0.61 0.5938 0.9134 1082584 SpecPlus_000107 COc1cc2OCc3oc4c5CC(Oc5ccc4c(=O)c3-c2cc1OC)C(=C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F10 compound treatment 0.371 0.00712 0.27 0.354 -0.00294 -0.12 0.1078 0.3649 2060104 SpecPlus_000108 COc1cc(C)c2c(=O)c3c(O)cc(O)cc3oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F11 compound treatment 0.351 -0.0129 -0.49 0.353 -0.00394 -0.16 -0.4581 -0.8907 1105460 SpecPlus_000109 COc1ccc2C3COc4cc(O)ccc4C3Oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F12 compound treatment 0.375 0.0111 0.42 0.381 0.0241 0.97 0.9846 0.9308 2060105 SpecPlus_000110 CC1(C)Oc2cc3occ(c4ccc5OCOc5c4)c(=O)c3c(O)c2C=C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F13 compound treatment 0.385 0.0211 0.8 0.378 0.0211 0.85 1.1679 0.9996 2060106 SpecPlus_000111 COc1cc(cc(OC)c1OC)c2coc3cc(OC)c(OC)c(OC)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F14 compound treatment 0.316 -0.0479 -1.82 0.326 -0.0309 -1.25 -2.1679 -0.983 2060107 SpecPlus_000112 COC1=C(OC)C(=O)C(=CC1=O)[C@H](C=C)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F15 compound treatment 0.357 -0.00688 -0.26 0.368 0.0111 0.45 0.1305 0.2526 1372522 SpecPlus_000113 COc1ccc(cc1)c2coc3cc(OC)ccc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F16 compound treatment 0.376 0.0121 0.46 0.377 0.0201 0.81 0.8975 0.9645 2060108 SpecPlus_000114 CC1=C(Cl)C(=O)C=C(O)C21Oc3cc(O)c(Cl)c(C)c3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F17 compound treatment 0.365 0.00112 0.04 0.372 0.0151 0.61 0.4595 0.755 1539748 SpecPlus_000115 COc1ccccc1c2coc3cc(O)ccc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F18 compound treatment 0.368 0.00412 0.16 0.388 0.0311 1.25 0.996 0.7895 2060109 SpecPlus_000116 CC(=O)Oc1ccc2C3c4cc(OC(=O)C)c(OC(=O)C)c(OC(=O)C)c4CC3(O)COc2c1OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F19 compound treatment 0.369 0.00512 0.19 0.353 -0.00394 -0.16 0.0256 0.1018 2060110 SpecPlus_000117 COc1ccc(c(OC)c1)c2coc3cc(O)ccc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F20 compound treatment 0.379 0.0151 0.57 0.375 0.0181 0.73 0.9212 0.9932 2060111 SpecPlus_000118 COc1cc(O)c(cc1O)C(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F21 compound treatment 0.358 -0.00588 -0.22 0.357 6.45E-5 0.0 -0.156 -0.6988 2060112 SpecPlus_000119 COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F22 compound treatment 0.366 0.00212 0.08 0.366 0.00906 0.37 0.3154 0.8431 2060113 SpecPlus_000120 Cc1cc(O)cc(O)c1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F23 positive control 0.081 -0.283 -10.75 0.074 -0.283 -11.4 -15.6631 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 F24 positive control 0.078 -0.286 -10.86 0.077 -0.28 -11.28 -15.6582 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G01 mock treatment 0.381 0.0171 0.65 0.385 0.0281 1.13 1.2598 0.9656 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G02 mock treatment 0.36 -0.00388 -0.15 0.361 0.00406 0.16 0.0117 0.0531 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G03 compound treatment 0.356 -0.00788 -0.3 0.372 0.0151 0.61 0.2176 0.3216 3173736 SpecPlus_000121 C[C@]12CCC3[C@@]4(C)[C@@H](O)C[C@@H](O)C(C)(C)C4C[C@@H](O)[C@@]3(C)C25OC5C[C@H]1c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G04 compound treatment 0.377 0.0131 0.5 0.366 0.00906 0.37 0.611 0.9883 2060114 SpecPlus_000122 COc1c2OCOc2cc3cc[n+](C)cc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G05 compound treatment 0.358 -0.00588 -0.22 0.357 6.45E-5 0.0 -0.156 -0.6988 2060115 SpecPlus_000123 CC(=CCOc1cc2oc(=O)ccc2cc1O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G06 compound treatment 0.358 -0.00588 -0.22 0.352 -0.00494 -0.2 -0.2985 -0.9983 1019607 SpecPlus_000124 CN(C)Cc1c(C)[nH]c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G07 compound treatment 0.42 0.0561 2.13 0.392 0.0351 1.41 2.5073 0.98 2060116 SpecPlus_000125 CCC(=O)OC1[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@](C)([C@@H](CC(=O)OC)C1(C)C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G08 compound treatment 0.345 -0.0189 -0.72 0.348 -0.00894 -0.36 -0.7618 -0.9492 2060117 SpecPlus_000126 Cc1ccc2c(CC[C@H]3CC(=O)CC[C@@]32C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G09 compound treatment 0.403 0.0391 1.49 0.402 0.0451 1.82 2.3354 0.9951 2060118 SpecPlus_000127 COC(=O)CC1C(C)(C)C(O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G10 compound treatment 0.364 1.25E-4 0.0 0.371 0.0141 0.57 0.4041 0.713 2060119 SpecPlus_000128 CC(C)c1c(O)c(cc2c1CCC3C(C)(C)CCC[C@@]32C)c4cc5c(CCC6C(C)(C)CCC[C@@]65C)c(C(C)C)c4O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G11 compound treatment 0.286 -0.0779 -2.96 0.289 -0.0679 -2.74 -4.0283 -0.9992 2060120 SpecPlus_000129 OC[C@H]1O[C@H](Oc2cccc3[C@H]([C@H]4c5cccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G12 compound treatment 0.395 0.0311 1.18 0.364 0.00706 0.28 1.0377 0.8529 3054523 SpecPlus_000130 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G13 compound treatment 0.379 0.0151 0.57 0.378 0.0211 0.85 1.0066 0.982 2060121 SpecPlus_000131 COC(=O)C[C@H]1C(C)(C)C2(Cl)O[C@]34CC2C(=O)[C@]1(C)C4CC[C@@]5(C)[C@@H](OC(=O)C=C35)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G14 compound treatment 0.34 -0.0239 -0.91 0.361 0.00406 0.16 -0.5257 -0.5702 2060122 SpecPlus_000132 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G15 compound treatment 0.382 0.0181 0.69 0.376 0.0191 0.77 1.0303 0.9985 2060123 SpecPlus_000133 COC(=O)C[C@H]1C(C)(C)[C@@H](O)[C@@H]2CC3C(CC[C@@]4(C)[C@@H](OC(=O)C=C34)c5ccoc5)[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G16 compound treatment 0.373 0.00912 0.35 0.372 0.0151 0.61 0.6744 0.9647 2060124 SpecPlus_000134 COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCc3c(C(C)C)c(O)ccc32 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G17 compound treatment 0.359 -0.00488 -0.19 0.369 0.0121 0.49 0.2128 0.409 2060125 SpecPlus_000135 COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2C[C@]3(O)C(CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G18 compound treatment 0.351 -0.0129 -0.49 0.355 -0.00194 -0.08 -0.4011 -0.8096 2060126 SpecPlus_000136 CC(C)c1c(O)ccc2c1CCC3[C@@](C)(CO)CCC[C@@]32C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G19 compound treatment 0.381 0.0171 0.65 0.369 0.0121 0.49 0.8039 0.9897 2060127 SpecPlus_000137 COC1CC2=C3C[C@H]4C(=O)C(C)(C)[C@H](CC(=O)OC)[C@@](C)(C3CC[C@@]2(C)[C@@H](O1)c5ccoc5)C4=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G20 compound treatment 0.4 0.0361 1.37 0.404 0.0471 1.9 2.3118 0.9874 2060128 SpecPlus_000138 CO[C@@H]1C(OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(=O)/C(=C(\OC)/C(C)C)/C2[C@@]34OC5(C)O[C@]14[C@]6(C)[C@@H](CC(=O)OC)C7(C)CC6(O5)[C@](OC)(C7OC(=O)C)[C@H]3OC)c8ccoc8 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G21 compound treatment 0.389 0.0251 0.95 0.375 0.0181 0.73 1.1899 0.991 2060129 SpecPlus_000139 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G22 compound treatment 0.349 -0.0149 -0.57 0.349 -0.00794 -0.32 -0.6258 -0.9636 2060130 SpecPlus_000140 COc1ccc(cc1)[C@@H](C)C(=O)c2ccc(O)cc2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G23 positive control 0.075 -0.289 -10.98 0.075 -0.282 -11.36 -15.7958 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 G24 positive control 0.078 -0.286 -10.86 0.079 -0.278 -11.2 -15.6012 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H01 mock treatment 0.394 0.0301 1.14 0.352 -0.00494 -0.2 0.6689 0.5756 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H02 mock treatment 0.348 -0.0159 -0.6 0.354 -0.00294 -0.12 -0.5102 -0.83 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H03 compound treatment 0.392 0.0281 1.07 0.388 0.0311 1.25 1.6409 0.9969 2060131 SpecPlus_000141 CCOC(=O)c1oc2c(OC)c(O)cc(O)c2c(=O)c1c3cc(OC)c(OC)c(OC)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H04 compound treatment 0.362 -0.00188 -0.07 0.362 0.00506 0.2 0.0939 0.4345 2060132 SpecPlus_000142 CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H05 compound treatment 0.381 0.0171 0.65 0.387 0.0301 1.21 1.3168 0.9575 2060133 SpecPlus_000143 COc1cc(cc(O)c1OC)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H06 compound treatment 0.366 0.00212 0.08 0.353 -0.00394 -0.16 -0.055 -0.3093 2060134 SpecPlus_000144 COc1cc2ccc(=O)oc2c3ccoc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H07 compound treatment 0.369 0.00512 0.19 0.379 0.0221 0.89 0.7664 0.842 2060135 SpecPlus_000145 COc1c(O)cc2occ(c3ccc(O)cc3)c(=O)c2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H08 compound treatment 0.408 0.0441 1.68 0.365 0.00806 0.32 1.4155 0.8287 2060136 SpecPlus_000146 CC(=C)c1cc2cc(C(=O)C)c(O)cc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H09 compound treatment 0.41 0.0461 1.75 0.363 0.00606 0.24 1.4122 0.798 2060137 SpecPlus_000147 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(OC)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H10 compound treatment 0.366 0.00212 0.08 0.389 0.0321 1.29 0.9707 0.7498 2060138 SpecPlus_000148 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H11 compound treatment 0.381 0.0171 0.65 0.339 -0.0179 -0.72 -0.0509 -0.0523 3054572 SpecPlus_000149 CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C4C5CC(C)(C)CC[C@@]5(CC[C@]43C)C(=O)O)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H12 compound treatment 0.368 0.00412 0.16 0.36 0.00306 0.12 0.1982 0.993 1090422 SpecPlus_000150 Cc1cc(O)cc(O)c1C(=O)Oc2cc(C)c(C(=O)O)c(O)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H13 compound treatment 0.401 0.0371 1.41 0.376 0.0191 0.77 1.5408 0.9592 2060139 SpecPlus_000151 COc1ccc([C@@H]2COc3c(OC)c(OC)ccc3C2)c(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H14 compound treatment 0.367 0.00312 0.12 0.372 0.0151 0.61 0.5132 0.8297 2060140 SpecPlus_000152 COc1cc2occc2c3oc(=O)ccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H15 compound treatment 0.281 -0.0829 -3.15 0.284 -0.0729 -2.94 -4.3051 -0.9994 2060141 SpecPlus_000153 COC1=CC(=O)C(=CC1=O)C(C=C)c2ccc(OC)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H16 compound treatment 0.365 0.00112 0.04 0.368 0.0111 0.45 0.3455 0.7714 1086162 SpecPlus_000154 COc1c2ccoc2c(OC)c3oc(=O)ccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H17 compound treatment 0.408 0.0441 1.68 0.369 0.0121 0.49 1.5294 0.876 3173749 SpecPlus_000155 COc1cc2OC[C@H]3Oc4c5CC(Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H18 compound treatment 0.392 0.0281 1.07 0.39 0.0331 1.33 1.6979 0.994 2060142 SpecPlus_000156 CC(=O)OC1C/C(=C/CC/C(=C/CC[C@](C)(O)C2CC1C(=C)C(=O)O2)/C)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H19 compound treatment 0.292 -0.0719 -2.73 0.291 -0.0659 -2.66 -3.8101 -0.9999 2060143 SpecPlus_000157 COC1=CC(=O)C(=CC1=O)C(C=C)c2ccc(O)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H20 compound treatment 0.368 0.00412 0.16 0.366 0.00906 0.37 0.3691 0.9287 3054620 SpecPlus_000158 COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c3OCC(=C(O)c13)c4ccc(OC(=O)C)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H21 compound treatment 0.358 -0.00588 -0.22 0.363 0.00606 0.24 0.0149 0.0451 1008719 SpecPlus_000159 COC(=O)C(O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H22 compound treatment 0.383 0.0191 0.73 0.368 0.0111 0.45 0.8292 0.9725 2060144 SpecPlus_000160 COc1cccc(c1)c2cc(=O)c3cc(OC)ccc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H23 positive control 0.078 -0.286 -10.86 0.075 -0.282 -11.36 -15.7152 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 H24 positive control 0.081 -0.283 -10.75 0.077 -0.28 -11.28 -15.5776 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I01 mock treatment 0.389 0.0251 0.95 0.356 -9.35E-4 -0.04 0.6485 0.6787 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I02 mock treatment 0.347 -0.0169 -0.64 0.349 -0.00794 -0.32 -0.6796 -0.9483 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I03 compound treatment 0.367 0.00312 0.12 0.357 6.45E-5 0.0 0.0858 0.7224 2060145 SpecPlus_000161 CC1(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)[C@@]2(C)C=CC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I04 compound treatment 0.357 -0.00688 -0.26 0.356 -9.35E-4 -0.04 -0.2114 -0.8008 2060146 SpecPlus_000162 C[C@@]12CCC(=O)C=C2CCc3ccc(O)cc31 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I05 compound treatment 0.414 0.0501 1.9 0.408 0.0511 2.06 2.8019 0.9993 2060147 SpecPlus_000163 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)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I06 compound treatment 0.413 0.0491 1.87 0.408 0.0511 2.06 2.7751 0.9988 2060148 SpecPlus_000164 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C[C@H](O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I07 compound treatment 0.405 0.0411 1.56 0.391 0.0341 1.37 2.0757 0.9979 3173867 SpecPlus_000165 COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I08 compound treatment 0.398 0.0341 1.3 0.372 0.0151 0.61 1.3462 0.9402 2060149 SpecPlus_000166 Cc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I09 compound treatment 0.412 0.0481 1.83 0.409 0.0521 2.1 2.7767 0.9977 2060150 SpecPlus_000167 CC1(C)[C@H](O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]3(C)OC(=O)CC12)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I10 compound treatment 0.404 0.0401 1.52 0.359 0.00206 0.08 1.137 0.7446 2060151 SpecPlus_000168 COC(=O)[C@@H]1OC(=O)C2OC23[C@@]1(C)CCC4[C@@]5(C)[C@H](C[C@@H](OC(=O)C)C(C)(C)C5C[C@H](O)[C@]43C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I11 compound treatment 0.393 0.0291 1.11 0.38 0.0231 0.93 1.4398 0.9962 2060152 SpecPlus_000169 CC(=O)O[C@@H]1CC2C(C)(C)C=CC(=O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I12 compound treatment 0.389 0.0251 0.95 0.364 0.00706 0.28 0.8764 0.8797 2060153 SpecPlus_000170 COc1cccc2c1CCC3=CC(=O)CC[C@@]32C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I13 compound treatment 0.401 0.0371 1.41 0.398 0.0411 1.65 2.1677 0.9968 2060154 SpecPlus_000171 CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I14 compound treatment 0.365 0.00112 0.04 0.361 0.00406 0.16 0.146 0.8628 2060155 SpecPlus_000172 COC(=O)[C@@H]1OC(=O)C2OC23[C@@]1(C)CCC4[C@@]5(C)[C@H](C[C@@H](OC(=O)C)C(C)(C)C5C[C@@H](O)[C@]43C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I15 compound treatment 0.383 0.0191 0.73 0.393 0.0361 1.45 1.5415 0.9487 2060156 SpecPlus_000173 CCC(C)C(O)C(=O)O[C@H]1[C@H](OC=O)C(C(=C)C2(O)C(=O)C[C@@H](c3ccoc3)[C@]12C)[C@]4(C)C(CC(=O)OC)[C@@](C)(COC(=O)C)OC(=O)C[C@@H]4OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I16 compound treatment 0.363 -8.75E-4 -0.03 0.34 -0.0169 -0.68 -0.5061 -0.7407 2060157 SpecPlus_000174 CC(=O)C1CCC2C3CCC4C[C@H](O)CCC4(C)C3C[C@H](O)C12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I17 compound treatment 0.413 0.0491 1.87 0.392 0.0351 1.41 2.3192 0.9906 2060158 SpecPlus_000175 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](OC(=O)C)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I18 compound treatment 0.367 0.00312 0.12 0.343 -0.0139 -0.56 -0.3131 -0.5455 2060159 SpecPlus_000176 COC(=O)[C@@H]1OC(=O)C2OC23[C@@]1(C)CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C[C@@H](OC(=O)C)[C@]43C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I19 compound treatment 0.394 0.0301 1.14 0.397 0.0401 1.61 1.9511 0.9858 2060160 SpecPlus_000177 CC(=O)O[C@@H]1CC2C(C)(C)CCC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I20 compound treatment 0.362 -0.00188 -0.07 0.374 0.0171 0.69 0.4359 0.6305 2060161 SpecPlus_000178 CC(=C)[C@H]1COc2cc3oc(=O)ccc3cc2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I21 compound treatment 0.399 0.0351 1.33 0.355 -0.00194 -0.08 0.8887 0.6647 2060162 SpecPlus_000179 COC(=O)C[C@H]1C(C)(C)[C@@H](O)[C@@H]2CC3=C4C=C(OC)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I22 compound treatment 0.363 -8.75E-4 -0.03 0.36 0.00306 0.12 0.0638 0.4989 3054675 SpecPlus_000180 CC(C)CCCC(C)C1CCC2/C(=C/C=C\3/C[C@@H](O)CCC3=C)/CCCC12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I23 positive control 0.075 -0.289 -10.98 0.074 -0.283 -11.4 -15.8243 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 I24 positive control 0.081 -0.283 -10.75 0.085 -0.272 -10.96 -15.3496 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J01 mock treatment 0.385 0.0211 0.8 0.351 -0.00594 -0.24 0.3985 0.4758 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J02 mock treatment 0.351 -0.0129 -0.49 0.349 -0.00794 -0.32 -0.5721 -0.9788 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J03 compound treatment 0.36 -0.00388 -0.15 0.332 -0.0249 -1.0 -0.8146 -0.8022 2060163 SpecPlus_000181 COc1ccc2C(=O)[C@@H]3[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J04 compound treatment 0.365 0.00112 0.04 0.368 0.0111 0.45 0.3455 0.7714 2060164 SpecPlus_000182 CC12CCC3C(CC3(C)C)C(=O)CCC2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J05 compound treatment 0.398 0.0341 1.3 0.398 0.0411 1.65 2.0871 0.9927 2060165 SpecPlus_000183 COc1cc2OCc3oc4c5CC(Oc5ccc4c(=O)c3-c2cc1OC)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J06 compound treatment 0.397 0.0331 1.26 0.392 0.0351 1.41 1.8892 0.9983 2060166 SpecPlus_000184 CC1(C)CC2C1CCC(=C)/C(=N\O)/CCC2=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J07 compound treatment 0.502 0.138 5.25 0.455 0.0981 3.95 6.5058 0.9902 2060167 SpecPlus_000185 COC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J08 compound treatment 0.393 0.0291 1.11 0.4 0.0431 1.74 2.0097 0.9764 2060168 SpecPlus_000186 C/C(=C/CC1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)/C=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J09 compound treatment 0.166 -0.198 -7.52 0.181 -0.176 -7.09 -10.3302 -0.9996 2060169 SpecPlus_000187 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4c5c(O)c(O)c(O)cc5[C@H]6Oc7cc(O)cc(O)c7C[C@H]6OC(=O)c8cc(O)c(O)c(O)c8 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J10 compound treatment 0.381 0.0171 0.65 0.37 0.0131 0.53 0.8324 0.9945 2060170 SpecPlus_000188 CC(=O)OC1CCC2(O)CC1(C)CCC3C2CC3(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J11 compound treatment 0.394 0.0301 1.14 0.369 0.0121 0.49 1.1533 0.9272 2060171 SpecPlus_000189 COC(=O)/C(=C\CC1(OC(C)(C)C2CC3C=C4C(=O)c5c(O)c6C7CC(C)(CCC7=C(C)C)Oc6c(CCC(C)(C)Cl)c5OC241)C3=O)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J12 compound treatment 0.399 0.0351 1.33 0.374 0.0171 0.69 1.4301 0.9524 2060172 SpecPlus_000190 CC1(C)CC2C1CCC3(CBr)CCC4C(CC(=O)O)C(=O)OC24C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J13 compound treatment 0.305 -0.0589 -2.24 0.299 -0.0579 -2.33 -3.2328 -0.9998 449 SpecPlus_000191 CC1=CC(=O)c2ccccc2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J14 compound treatment 0.386 0.0221 0.84 0.386 0.0291 1.17 1.4227 0.9868 2060173 SpecPlus_000192 CC(C)C1CCC(C)(O)C2CCC(=CC12)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J15 compound treatment 0.403 0.0391 1.49 0.364 0.00706 0.28 1.2526 0.8275 2060174 SpecPlus_000193 CC(=CCc1c2OC(C)(C)C=Cc2c(O)c3c(=O)c(O)c(oc13)c4ccccc4)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J16 compound treatment 0.381 0.0171 0.65 0.372 0.0151 0.61 0.8894 0.9994 2060175 SpecPlus_000194 C[C@](O)(CCC1C(=C)CCC2[C@@](C)(CO)CCC[C@]12C)C=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J17 compound treatment 0.403 0.0391 1.49 0.396 0.0391 1.57 2.1644 0.9996 3173879 SpecPlus_000195 CC(=CCc1c2OC(C)(C)C=Cc2c(OC(=O)C)c3c(=O)c(OC(=O)C)c(oc13)c4ccccc4)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J18 compound treatment 0.375 0.0111 0.42 0.38 0.0231 0.93 0.9561 0.9364 2060176 SpecPlus_000196 CC(=O)/C=C\[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J19 compound treatment 0.363 -8.75E-4 -0.03 0.366 0.00906 0.37 0.2348 0.6401 1017609 SpecPlus_000197 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J20 compound treatment 0.362 -0.00188 -0.07 0.37 0.0131 0.53 0.3219 0.6059 1107153 SpecPlus_000198 CC(=O)c1cc2C=CC(C)(C)Oc2cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J21 compound treatment 0.363 -8.75E-4 -0.03 0.369 0.0121 0.49 0.3203 0.6572 1112405 SpecPlus_000199 COc1cc2OCOc2cc1c3cc4cc5ccoc5cc4oc3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J22 compound treatment 0.364 1.25E-4 0.0 0.358 0.00106 0.04 0.0337 0.7806 1019872 SpecPlus_000200 COc1cc2COC(=O)c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J23 positive control 0.076 -0.288 -10.94 0.077 -0.28 -11.28 -15.7119 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 J24 positive control 0.082 -0.282 -10.71 0.085 -0.272 -10.96 -15.3228 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K01 mock treatment 0.383 0.0191 0.73 0.347 -0.00994 -0.4 0.2308 0.2782 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K02 mock treatment 0.342 -0.0219 -0.83 0.341 -0.0159 -0.64 -1.0419 -0.9919 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K03 compound treatment 0.39 0.0261 0.99 0.361 0.00406 0.16 0.8178 0.8128 2060177 SpecPlus_000201 CC1(C)C2C[C@@H](O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)[C@@]2(C)[C@H]7O[C@H]7C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K04 compound treatment 0.356 -0.00788 -0.3 0.35 -0.00694 -0.28 -0.4092 -0.9994 2060178 SpecPlus_000202 CC12C[C@@H](O)C3C(CCC4CC(O)CCC43C)C2(O)CCC1C5=CC(=O)OC5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K05 compound treatment 0.353 -0.0109 -0.41 0.347 -0.00994 -0.4 -0.5753 -0.9999 2060179 SpecPlus_000203 COc1cccc2c1CCC3CC(=O)CC[C@@]32C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K06 compound treatment 0.362 -0.00188 -0.07 0.345 -0.0119 -0.48 -0.3905 -0.8031 2060180 SpecPlus_000204 CC1=CCC2[C@@]3(C)[C@@H](O)[C@@H](O)CC(C)(C)C3CC4OC(=O)C=C1[C@]42C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K07 compound treatment 0.353 -0.0109 -0.41 0.387 0.0301 1.21 0.5644 0.441 2060181 SpecPlus_000205 COc1ccc2c(CC=C3C(C)(C)C(O)CC[C@@]32C)c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K08 compound treatment 0.371 0.00712 0.27 0.356 -9.35E-4 -0.04 0.1648 0.6028 3173991 SpecPlus_000206 C[C@@]12CCC3C(CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)C[C@H](O)[C@@H]1C5=CC(=O)OC5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K09 compound treatment 0.347 -0.0169 -0.64 0.35 -0.00694 -0.28 -0.6511 -0.9307 2060182 SpecPlus_000207 COc1ccc2c(CCC3C(C)(C)CCC[C@@]32C)c1C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K10 compound treatment 0.375 0.0111 0.42 0.351 -0.00594 -0.24 0.1298 0.2673 2060183 SpecPlus_000208 CC12C(CCC2(O)C3CCC4CC(O)CCC4(C)C3CC1O)C5=CC(=O)OC5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K11 compound treatment 0.377 0.0131 0.5 0.363 0.00606 0.24 0.5255 0.9461 3173992 SpecPlus_000209 CC(C)c1c(O)ccc2c1CCC3C(C)(C)CCC[C@@]32C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K12 compound treatment 0.396 0.0321 1.22 0.39 0.0331 1.33 1.8054 0.999 2060184 SpecPlus_000210 CC1CCc2c(O)c3c(=O)cc(C)oc3cc2OC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K13 compound treatment 0.353 -0.0109 -0.41 0.358 0.00106 0.04 -0.2619 -0.6303 3173993 SpecPlus_000211 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K14 compound treatment 0.373 0.00912 0.35 0.389 0.0321 1.29 1.1588 0.8662 2060185 SpecPlus_000212 COc1ccc2[C@@H]3COc4cc(OC)ccc4[C@@H]3Oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K15 compound treatment 0.366 0.00212 0.08 0.365 0.00806 0.32 0.2869 0.8568 1051795 SpecPlus_000213 CC(=O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C5=CC(=O)OC5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K16 compound treatment 0.371 0.00712 0.27 0.364 0.00706 0.28 0.3928 0.9997 2060186 SpecPlus_000214 CC(=O)OC1CCC2(C3CCC4(C)C(CCC54OC2=O)C6=CC(=O)OC6)C(O)(CCC35)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K17 compound treatment 0.382 0.0181 0.69 0.389 0.0321 1.29 1.4007 0.9566 3053987 SpecPlus_000215 CC(=O)C1CC[C@H]2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K18 compound treatment 0.376 0.0121 0.46 0.364 0.00706 0.28 0.5271 0.9732 2060187 SpecPlus_000216 COc1cccc(/C=C/C(=O)O)c1C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K19 compound treatment 0.372 0.00812 0.31 0.382 0.0251 1.01 0.9325 0.8829 2060188 SpecPlus_000217 C[C@H]1C2C(CC3C4CCC5C[C@@H](O)CCC5(C)C4=CCC23C)OC61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K20 compound treatment 0.37 0.00612 0.23 0.386 0.0291 1.17 0.9927 0.8314 3173995 SpecPlus_000218 C[C@H]1C2C(O[C@@]31CC[C@@H](C)CO3)C(O)C4C5CC[C@H]6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[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]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O)[C@H](O)[C@H]7O)[C@H](O)C[C@]6(C)C5CC[C@]24C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K21 compound treatment 0.373 0.00912 0.35 0.373 0.0161 0.65 0.7029 0.9572 2060189 SpecPlus_000219 C[C@H]1C2C(CC3C4CC[C@H]5C[C@@H](O)CCC5(C)C4C[C@@H](O)C23C)OC61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K22 compound treatment 0.363 -8.75E-4 -0.03 0.364 0.00706 0.28 0.1778 0.6203 2060190 SpecPlus_000220 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@H](CC[C@]5(C)C4C(=O)[C@@H](OC(=O)C)[C@]23C)OC(=O)C)O[C@@]61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K23 positive control 0.078 -0.286 -10.86 0.079 -0.278 -11.2 -15.6012 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 K24 positive control 0.083 -0.281 -10.67 0.078 -0.279 -11.24 -15.4953 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L01 mock treatment 0.363 -8.75E-4 -0.03 0.358 0.00106 0.04 0.0068 0.1257 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L02 mock treatment 0.357 -0.00688 -0.26 0.345 -0.0119 -0.48 -0.5248 -0.9589 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L03 compound treatment 0.383 0.0191 0.73 0.391 0.0341 1.37 1.4845 0.9558 3173997 SpecPlus_000221 COC(=O)CC1C(C)(C)C(=O)C=CC1(C)C2CC[C@@]3(C)[C@@H](OC(=O)C4OC43C2=C)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L04 compound treatment 0.36 -0.00388 -0.15 0.358 0.00106 0.04 -0.0738 -0.4811 2060191 SpecPlus_000222 CC1(C)CC2C1CCC(=O)C(CCC2=C)C3CC(=O)OC3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L05 compound treatment 0.362 -0.00188 -0.07 0.359 0.00206 0.08 0.0084 0.0771 2070 SpecPlus_000223 COc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L06 compound treatment 0.364 1.25E-4 0.0 0.352 -0.00494 -0.2 -0.1373 -0.69 2060192 SpecPlus_000224 CC1(C)CC2C1CCC3(C)CCCC2(O)C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L07 compound treatment 0.368 0.00412 0.16 0.361 0.00406 0.16 0.2267 0.9998 3173998 SpecPlus_000225 CC(=O)O[C@@H]1C2CC[C@@H]3C1(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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L08 compound treatment 0.349 -0.0149 -0.57 0.36 0.00306 0.12 -0.3124 -0.5399 2060193 SpecPlus_000226 CC1(C)C2CC1C(=C)C(N)C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L09 compound treatment 0.359 -0.00488 -0.19 0.361 0.00406 0.16 -0.0152 -0.0614 2060194 SpecPlus_000227 COc1cc(O)c(C(=O)O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L10 compound treatment 0.361 -0.00288 -0.11 0.362 0.00506 0.2 0.0671 0.2897 2060195 SpecPlus_000228 CC1(C)CC23C1CCC3(C)C(O)CCC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L11 compound treatment 0.425 0.0611 2.32 0.409 0.0521 2.1 3.126 0.9987 2060196 SpecPlus_000229 COc1cc2OCC3Oc4cc5OC(C)(C)C=Cc5c(O)c4C(=O)C3c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L12 compound treatment 0.323 -0.0409 -1.55 0.318 -0.0389 -1.57 -2.2078 -1.0 2060197 SpecPlus_000230 COC1(C)CCC2OC2(C)CCC3C1CC3(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L13 compound treatment 0.375 0.0111 0.42 0.374 0.0171 0.69 0.7852 0.9727 2060198 SpecPlus_000231 COc1ccc2C=C3c4cc(OC)c(OC)cc4OCC3(O)Oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L14 compound treatment 0.35 -0.0139 -0.53 0.355 -0.00194 -0.08 -0.428 -0.803 2060199 SpecPlus_000232 CC1(C)CC2C1CCC3(C)OC2(C)CCC3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L15 compound treatment 0.399 0.0351 1.33 0.37 0.0131 0.53 1.3161 0.9172 3054042 SpecPlus_000233 COc1ccc(/C=C/C(=O)O)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L16 compound treatment 0.312 -0.0519 -1.97 0.326 -0.0309 -1.25 -2.2754 -0.9756 2060200 SpecPlus_000234 CC12CCC3C(CC3(C)C)C(C)(O)CCC2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L17 compound treatment 0.404 0.0401 1.52 0.415 0.0581 2.34 2.7327 0.9785 2060201 SpecPlus_000235 CC(=O)OCC(O)CC(O)CCCCCCCCCCCC#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L18 compound treatment 0.38 0.0161 0.61 0.362 0.00506 0.2 0.5776 0.8943 2060202 SpecPlus_000236 CC1(C)CC2C1CCC3(C)OC2(C)CCC3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L19 compound treatment 0.357 -0.00688 -0.26 0.371 0.0141 0.57 0.216 0.3461 2060203 SpecPlus_000237 CCOC(=O)c1c(C)cc(O)c(C)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L20 compound treatment 0.403 0.0391 1.49 0.359 0.00206 0.08 1.1101 0.7455 2060204 SpecPlus_000238 CC(=O)OC1CC(C)(C)C2CCC3(C)CC12CCC3OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L21 compound treatment 0.368 0.00412 0.16 0.355 -0.00194 -0.08 0.0557 0.3181 1049467 SpecPlus_000239 COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L22 compound treatment 0.376 0.0121 0.46 0.376 0.0191 0.77 0.869 0.9701 3054095 SpecPlus_000240 CCC(/C=C/[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L23 positive control 0.081 -0.283 -10.75 0.079 -0.278 -11.2 -15.5206 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 L24 positive control 0.084 -0.28 -10.64 0.079 -0.278 -11.2 -15.44 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M01 mock treatment 0.36 -0.00388 -0.15 0.36 0.00306 0.12 -0.0168 -0.0874 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M02 mock treatment 0.352 -0.0119 -0.45 0.342 -0.0149 -0.6 -0.7447 -0.9899 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M03 compound treatment 0.335 -0.0289 -1.1 0.339 -0.0179 -0.72 -1.2869 -0.9795 3173999 SpecPlus_000241 C[C@H]1C2C(CC3C4CC[C@H]5CC(CCC5(C)C4CC(=O)C23C)OC(=O)C)OC61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M04 compound treatment 0.356 -0.00788 -0.3 0.34 -0.0169 -0.68 -0.6942 -0.9316 3174000 SpecPlus_000242 C[C@H]1[C@H]2[C@H](CC3C4CC[C@@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@@]61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M05 compound treatment 0.346 -0.0179 -0.68 0.332 -0.0249 -1.0 -1.1908 -0.9818 3054097 SpecPlus_000243 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M06 compound treatment 0.347 -0.0169 -0.64 0.35 -0.00694 -0.28 -0.6511 -0.9307 2060205 SpecPlus_000244 C[C@H]1[C@H]2[C@H](CC3C4CC[C@@H]5CC(=O)CC[C@]5(C)C4CC[C@]23C)O[C@@]61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M07 compound treatment 0.347 -0.0169 -0.64 0.353 -0.00394 -0.16 -0.5656 -0.8562 1002679 SpecPlus_000245 OCC(O)C(O)C(O)C(O)C(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M08 compound treatment 0.381 0.0171 0.65 0.36 0.00306 0.12 0.5475 0.8265 2060206 SpecPlus_000246 CCC(CCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M09 compound treatment 0.355 -0.00888 -0.34 0.372 0.0151 0.61 0.1908 0.2747 2060207 SpecPlus_000247 CC1(C)[C@H](O)C[C@H](O)[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M10 compound treatment 0.366 0.00212 0.08 0.357 6.45E-5 0.0 0.0589 0.7295 1071570 SpecPlus_000248 CCOC(=O)c1c(C)cc(O)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M11 compound treatment 0.374 0.0101 0.38 0.364 0.00706 0.28 0.4734 0.989 2060208 SpecPlus_000249 COC(=O)C[C@H]1C(C)(C)[C@@H](O)[C@@H]2CC3=C4CC(O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M12 compound treatment 0.359 -0.00488 -0.19 0.365 0.00806 0.32 0.0988 0.2641 2060209 SpecPlus_000250 COc1cc2OCC3Oc4c(C(=O)O)c(O)ccc4C(=O)C3(O)c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M13 compound treatment 0.376 0.0121 0.46 0.376 0.0191 0.77 0.869 0.9701 2060210 SpecPlus_000251 CC(=O)O[C@@H]1CC2C(C)(C)C3(CC[C@]2(C)C4CC[C@@]5(C)[C@@H](OC(=O)C6OC65[C@]14C)c7ccoc7)SCCS3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M14 compound treatment 0.414 0.0501 1.9 0.417 0.0601 2.42 3.0584 0.993 2060211 SpecPlus_000252 CC[C@@]1(O)C[C@H](OC2C[C@H](C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3[C@H]1C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M15 compound treatment 0.351 -0.0129 -0.49 0.35 -0.00694 -0.28 -0.5436 -0.9647 2060212 SpecPlus_000253 CC1(C)[C@H](O)CC(=O)[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M16 compound treatment 0.353 -0.0109 -0.41 0.346 -0.0109 -0.44 -0.6038 -0.9995 1010377 SpecPlus_000254 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M17 compound treatment 0.377 0.0131 0.5 0.385 0.0281 1.13 1.1524 0.9323 2060213 SpecPlus_000255 CC1(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)[C@@]2(C)[C@H]6O[C@H]6C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M18 compound treatment 0.39 0.0261 0.99 0.4 0.0431 1.74 1.9291 0.9649 2060214 SpecPlus_000256 COc1c(ccc2OC(C)(C)C=Cc12)c3coc4cc5OC(C)(C)C(O)Cc5cc4c3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M19 compound treatment 0.399 0.0351 1.33 0.368 0.0111 0.45 1.2591 0.8947 2069251 SpecPlus_000257 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C[C@H](O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M20 compound treatment 0.337 -0.0269 -1.02 0.333 -0.0239 -0.96 -1.4042 -0.9996 1010376 SpecPlus_000258 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M21 compound treatment 0.388 0.0241 0.92 0.404 0.0471 1.9 1.9893 0.9444 2060215 SpecPlus_000259 CC1(C)C2C=C[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)[C@@]2(C)C=CC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M22 compound treatment 0.383 0.0191 0.73 0.374 0.0171 0.69 1.0001 0.9996 2060216 SpecPlus_000260 COc1cc2OC[C@H]3Oc4c(ccc5oc(cc45)C(C)C)C(=O)[C@H]3c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M23 positive control 0.082 -0.282 -10.71 0.081 -0.276 -11.12 -15.4367 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 M24 positive control 0.085 -0.279 -10.6 0.08 -0.277 -11.16 -15.3846 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N01 mock treatment 0.361 -0.00288 -0.11 0.325 -0.0319 -1.29 -0.9872 -0.7644 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N02 mock treatment 0.349 -0.0149 -0.57 0.316 -0.0409 -1.65 -1.5661 -0.8981 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N03 compound treatment 0.357 -0.00688 -0.26 0.342 -0.0149 -0.6 -0.6103 -0.9302 2060217 SpecPlus_000261 COc1c(ccc2OC(C)(C)CCc12)C3COc4cc5OC(C)(C)C(O)Cc5cc4C3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N04 compound treatment 0.351 -0.0129 -0.49 0.353 -0.00394 -0.16 -0.4581 -0.8907 1072288 SpecPlus_000262 CC(=C)C1CNC(C1CC(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N05 compound treatment 0.376 0.0121 0.46 0.345 -0.0119 -0.48 -0.0143 -0.0214 2060218 SpecPlus_000263 COc1c(CC(=O)c2cc3CC(O)C(C)(C)Oc3cc2O)ccc4OC(C)(C)C=Cc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N06 compound treatment 0.348 -0.0159 -0.6 0.346 -0.0109 -0.44 -0.7382 -0.9881 3053934 SpecPlus_000264 CC(CCC=C(C)C)C1CC[C@@]2(C)C3=C(CCC12C)C4(C)CCC(OC(=O)C)C(C)(C)C4CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N07 compound treatment 0.355 -0.00888 -0.34 0.337 -0.0199 -0.8 -0.8065 -0.9257 3174115 SpecPlus_000265 CC[C@H](CCC(C)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N08 compound treatment 0.371 0.00712 0.27 0.345 -0.0119 -0.48 -0.1486 -0.2693 2060219 SpecPlus_000266 CC(=O)OC/1CCC(=C)[C@H]2CC(C)(C)[C@@H]2C\C=C1/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N09 compound treatment 0.346 -0.0179 -0.68 0.33 -0.0269 -1.09 -1.2478 -0.9745 1001923 SpecPlus_000267 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N10 compound treatment 0.368 0.00412 0.16 0.368 0.0111 0.45 0.4261 0.9016 1114909 SpecPlus_000268 COc1cc(CC=C)ccc1OC(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N11 compound treatment 0.309 -0.0549 -2.09 0.303 -0.0539 -2.17 -3.0114 -0.9998 907310 SpecPlus_000269 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N12 compound treatment 0.36 -0.00388 -0.15 0.373 0.0161 0.65 0.3536 0.5327 2060220 SpecPlus_000270 CC/1[C@H]2C[C@@H](C\C1=N/O)C2(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N13 compound treatment 0.362 -0.00188 -0.07 0.36 0.00306 0.12 0.0369 0.2591 2060221 SpecPlus_000271 COc1ccc(cc1)[C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N14 compound treatment 0.355 -0.00888 -0.34 0.352 -0.00494 -0.2 -0.3791 -0.9683 2060222 SpecPlus_000272 C/C/1=C\CCC(=O)C2CC(C)(C)C2CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N15 compound treatment 0.352 -0.0119 -0.45 0.365 0.00806 0.32 -0.0893 -0.1606 2060223 SpecPlus_000273 COc1cc(OC)c2C[C@H](O)[C@H](Oc2c1)c3ccc(OC)c(OC)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N16 compound treatment 0.418 0.0541 2.06 0.4 0.0431 1.74 2.6815 0.9964 1099943 SpecPlus_000274 COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c3oc(=O)c(c(O)c13)c4ccc(O)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N17 compound treatment 0.348 -0.0159 -0.6 0.345 -0.0119 -0.48 -0.7667 -0.9937 2060224 SpecPlus_000275 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4ccc(O)c(O)c4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N18 compound treatment 0.359 -0.00488 -0.19 0.366 0.00906 0.37 0.1273 0.3108 3174120 SpecPlus_000276 CCCCCCCCCCCC[C@@H]([C@@H](C)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N19 compound treatment 0.304 -0.0599 -2.28 0.302 -0.0549 -2.21 -3.1742 -0.9999 1859 SpecPlus_000277 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N20 compound treatment 0.365 0.00112 0.04 0.373 0.0161 0.65 0.488 0.7522 2060225 SpecPlus_000278 COC(=O)c1c(C)c2Oc3c(Cl)c(OC(=O)C)c(Cl)c(C)c3C(=O)Oc2c(C)c1OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N21 compound treatment 0.129 -0.235 -8.93 0.13 -0.227 -9.14 -12.7776 -0.9999 2060226 SpecPlus_000279 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c4c(=O)c(O)cc(cc34)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5OC(=O)c7cc(O)c(O)c(O)c7 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N22 compound treatment 0.356 -0.00788 -0.3 0.359 0.00206 0.08 -0.1528 -0.4919 2060227 SpecPlus_000280 COC(=O)C[C@H](OC(=O)C)[C@@]1(C)[C@@H](C[C@@H](OC(=O)C)[C@]2(C)C1CC[C@@]3(C)[C@@H](CC=C32)C4COC(=O)C4)C(=C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N23 positive control 0.079 -0.285 -10.83 0.079 -0.278 -11.2 -15.5743 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 N24 positive control 0.082 -0.282 -10.71 0.079 -0.278 -11.2 -15.4937 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O01 mock treatment 0.344 -0.0199 -0.76 0.339 -0.0179 -0.72 -1.0451 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O02 mock treatment 0.339 -0.0249 -0.95 0.327 -0.0299 -1.21 -1.5214 -0.9927 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O03 compound treatment 0.365 0.00112 0.04 0.343 -0.0139 -0.56 -0.3668 -0.6514 2060228 SpecPlus_000281 COC(=O)CC1[C@@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]53O[C@]2(O)[C@@H]([C@H]5OC(=O)C)C(OC(=O)C)C1(C)C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O04 compound treatment 0.28 -0.0839 -3.19 0.297 -0.0599 -2.42 -3.9616 -0.9906 2060229 SpecPlus_000282 Oc1cc(OC(=O)c2cc(O)c(O)c(O)c2)c3C[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc3c1)c5cc(O)c(O)c(O)c5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O05 compound treatment 0.363 -8.75E-4 -0.03 0.363 0.00606 0.24 0.1493 0.6053 2060230 SpecPlus_000283 CC(=O)O[C@H]1C[C@@H](O)C(C)(C)C2C[C@@H](OC(=O)C)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)[C@@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O06 compound treatment 0.341 -0.0229 -0.87 0.328 -0.0289 -1.17 -1.4392 -0.9895 2060231 SpecPlus_000284 COc1cc(OC)c(cc1OC)c2coc3cc(O)c(OC)c(O)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O07 compound treatment 0.358 -0.00588 -0.22 0.374 0.0171 0.69 0.3284 0.4542 2060232 SpecPlus_000285 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O08 compound treatment 0.349 -0.0149 -0.57 0.334 -0.0229 -0.92 -1.0532 -0.9722 1051460 SpecPlus_000286 COc1cc(C(=O)O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O09 compound treatment 0.361 -0.00288 -0.11 0.349 -0.00794 -0.32 -0.3034 -0.8977 2060233 SpecPlus_000287 COC(=O)C[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O10 compound treatment 0.343 -0.0209 -0.79 0.332 -0.0249 -1.0 -1.2714 -0.9932 2060234 SpecPlus_000288 COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O11 compound treatment 0.379 0.0151 0.57 0.371 0.0141 0.57 0.8072 1.0 2060235 SpecPlus_000289 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)[C@@H]3O[C@@H]3[C@]2(C)C4CC[C@@]5(C)[C@@H](OC(=O)C=C5[C@]14C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O12 compound treatment 0.461 0.0971 3.69 0.48 0.123 4.96 6.1164 0.9894 2060236 SpecPlus_000290 COc1cc(OC)c2C[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@H](Oc2c1)c4ccc(OC)c(OC)c4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O13 compound treatment 0.348 -0.0159 -0.6 0.361 0.00406 0.16 -0.3108 -0.4971 2060237 SpecPlus_000291 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)C(=O)O)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O14 compound treatment 0.391 0.0271 1.03 0.37 0.0131 0.53 1.1011 0.9514 2060238 SpecPlus_000292 Cc1cc(O)cc(O)c1C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)O)c(O)c3)c(O)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O15 compound treatment 0.368 0.00412 0.16 0.367 0.0101 0.41 0.3976 0.9145 2060239 SpecPlus_000293 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC=C4[C@]13C)C5CO[C@H]([C@H](O)C5)C(C)(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O16 compound treatment 0.408 0.0441 1.68 0.41 0.0531 2.14 2.6977 0.9928 1057125 SpecPlus_000294 CC(C)(C=C)c1c2OC(C)(C)C=Cc2c(O)c3c(=O)c4ccc(O)c(O)c4oc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O17 compound treatment 0.349 -0.0149 -0.57 0.346 -0.0109 -0.44 -0.7113 -0.9924 2060240 SpecPlus_000295 CC1=C2C(O)C(=O)OC3CC4C(C)(C)C(=O)C=C[C@]4(C)C(CC1)[C@@]32C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O18 compound treatment 0.371 0.00712 0.27 0.372 0.0151 0.61 0.6207 0.9338 3174236 SpecPlus_000296 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c4c(=O)c(O)cc(cc34)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O19 compound treatment 0.36 -0.00388 -0.15 0.364 0.00706 0.28 0.0972 0.3032 2060241 SpecPlus_000297 CC1(C)C2C[C@@H](O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)[C@@]2(C)CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O20 compound treatment 0.402 0.0381 1.45 0.374 0.0171 0.69 1.5107 0.942 2060242 SpecPlus_000298 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O21 compound treatment 0.362 -0.00188 -0.07 0.357 6.45E-5 0.0 -0.0485 -0.6809 2060243 SpecPlus_000299 CC1(C)[C@@H]2O[C@@H]2C(=O)[C@@]3(C)C1CC(=O)[C@]4(C)C3CC[C@@]5(C)[C@@H](OC(=O)C6OC654)c7ccoc7 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O22 compound treatment 0.36 -0.00388 -0.15 0.353 -0.00394 -0.16 -0.2163 -0.9993 2060244 SpecPlus_000300 COC1=CC(=O)OC(CCc2ccc(OC)c(OC)c2)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O23 positive control 0.087 -0.277 -10.52 0.084 -0.273 -11.0 -15.2169 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 O24 positive control 0.091 -0.273 -10.37 0.083 -0.274 -11.04 -15.1379 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P01 mock treatment 0.352 -0.0119 -0.45 0.338 -0.0189 -0.76 -0.8586 -0.9686 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P02 mock treatment 0.344 -0.0199 -0.76 0.338 -0.0189 -0.76 -1.0736 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P03 compound treatment 0.336 -0.0279 -1.06 0.338 -0.0189 -0.76 -1.2886 -0.987 2069225 SpecPlus_000301 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c5c(=O)c(O)cc(cc45)[C@H]6Oc7cc(O)cc(O)c7C[C@H]6OC(=O)c8cc(O)c(O)c(O)c8 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P04 compound treatment 0.349 -0.0149 -0.57 0.349 -0.00794 -0.32 -0.6258 -0.9636 2060245 SpecPlus_000302 OC[C@H]1O[C@@](CO)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P05 compound treatment 0.373 0.00912 0.35 0.402 0.0451 1.82 1.5293 0.8272 3054057 SpecPlus_000303 CC(=CCC/C(=C/CCC(C)(O)C=C)/C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P06 compound treatment 0.356 -0.00788 -0.3 0.365 0.00806 0.32 0.0182 0.0412 2060246 SpecPlus_000304 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CCC12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P07 compound treatment 0.367 0.00312 0.12 0.375 0.0181 0.73 0.5987 0.8117 425 SpecPlus_000305 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P08 compound treatment 0.361 -0.00288 -0.11 0.36 0.00306 0.12 0.0101 0.0611 1984013 SpecPlus_000306 C/C=C/c1ccc2OCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P09 compound treatment 0.352 -0.0119 -0.45 0.363 0.00606 0.24 -0.1463 -0.2851 1016781 SpecPlus_000307 OC(=O)c1cc(O)c(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P10 compound treatment 0.366 0.00212 0.08 0.37 0.0131 0.53 0.4294 0.8061 1001982 SpecPlus_000308 Nc1nc2[nH]c(=O)cnc2c(=O)[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P11 compound treatment 0.38 0.0161 0.61 0.381 0.0241 0.97 1.119 0.9755 2060247 SpecPlus_000309 COc1cc(OC)c2C[C@@H](O)[C@H](Oc2c1)c3ccc(OC)c(OC)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P12 compound treatment 0.395 0.0311 1.18 0.403 0.0461 1.86 2.1489 0.9763 3054108 SpecPlus_000310 Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P13 compound treatment 0.398 0.0341 1.3 0.391 0.0341 1.37 1.8876 0.9996 653 SpecPlus_000311 Oc1cc2cccc(O)c(=O)c2c(O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P14 compound treatment 0.394 0.0301 1.14 0.392 0.0351 1.41 1.8086 0.9945 1053058 SpecPlus_000312 COc1cc(OC)c2c(=O)c(O)c(oc2c1)c3ccc(OC)c(OC)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P15 compound treatment 0.373 0.00912 0.35 0.441 0.0841 3.39 2.6405 0.7754 1210108 SpecPlus_000313 Oc1ccc2cccc(O)c(=O)c2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P16 compound treatment 0.389 0.0251 0.95 0.388 0.0311 1.25 1.5603 0.9911 3174242 SpecPlus_000314 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P17 compound treatment 0.382 0.0181 0.69 0.377 0.0201 0.81 1.0588 0.9968 2060248 SpecPlus_000315 OC1=Cc2c(O)cc(O)cc2OC1(O)c3ccc(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P18 compound treatment 0.378 0.0141 0.54 0.387 0.0301 1.21 1.2362 0.9329 1952709 SpecPlus_000316 COc1ccc2c(C)cc(=O)oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P19 compound treatment 0.384 0.0201 0.76 0.386 0.0291 1.17 1.3689 0.9787 2060249 SpecPlus_000317 COc1ccc(cc1)c2coc3c(OC)c(O)ccc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P20 compound treatment 0.381 0.0171 0.65 0.381 0.0241 0.97 1.1459 0.9812 3047 SpecPlus_000318 C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P21 compound treatment 0.378 0.0141 0.54 0.379 0.0221 0.89 1.0083 0.9708 2060250 SpecPlus_000319 COc1cc(C(=O)O)c(O)c2OCOc21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P22 compound treatment 0.383 0.0191 0.73 0.376 0.0191 0.77 1.0571 0.9996 1009294 SpecPlus_000320 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P23 positive control 0.091 -0.273 -10.37 0.087 -0.27 -10.88 -15.0239 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1081 P24 positive control 0.087 -0.277 -10.52 0.087 -0.27 -10.88 -15.1314 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A01 mock treatment 0.376 0.0198 0.75 0.382 0.0258 1.04 1.2685 0.9875 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A02 mock treatment 0.361 0.00484 0.18 0.364 0.00781 0.31 0.3526 0.9674 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A03 compound treatment 0.365 0.00884 0.34 0.352 -0.00419 -0.17 0.1181 0.3141 1025940 SpecPlus_000321 Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A04 compound treatment 0.362 0.00584 0.22 0.355 -0.00119 -0.05 0.123 0.5414 1112402 SpecPlus_000322 COc1ccc2ccc(=O)oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A05 compound treatment 0.36 0.00384 0.15 0.355 -0.00119 -0.05 0.0693 0.4505 3054266 SpecPlus_000323 CC(CCC=C(C)C)C1CC[C@@]2(C)C3=C(CC[C@]12C)C4(C)CCC(O)C(C)(C)C4CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A06 compound treatment 0.363 0.00684 0.26 0.357 8.06E-4 0.03 0.2069 0.7893 3174244 SpecPlus_000324 N=c1[nH]c(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A07 compound treatment 0.371 0.0148 0.56 0.356 -1.94E-4 -0.01 0.3933 0.6973 3174245 SpecPlus_000325 OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A08 compound treatment 0.356 -1.56E-4 -0.01 0.359 0.00281 0.11 0.0758 0.6691 3054270 SpecPlus_000326 COC(=O)[C@@H]1C(O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A09 compound treatment 0.361 0.00484 0.18 0.368 0.0118 0.48 0.4666 0.9146 2359 SpecPlus_000327 CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@@H]32)n1c5ccccc45 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A10 compound treatment 0.37 0.0138 0.53 0.364 0.00781 0.31 0.5944 0.9698 2060251 SpecPlus_000328 NCC(N)C(=O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A11 compound treatment 0.397 0.0408 1.55 0.394 0.0378 1.52 2.1748 1.0 2060252 SpecPlus_000329 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3O[C@]4(C5C[C@H]6C=C4C(=O)c3c(OC(=O)C)c2C=C1)C(C/C=C(\C)/C(=O)O)(OC5(C)C)C6=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A12 compound treatment 0.363 0.00684 0.26 0.357 8.06E-4 0.03 0.2069 0.7893 2060253 SpecPlus_000330 NC(CC(=O)c1ccccc1N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A13 compound treatment 0.369 0.0128 0.49 0.363 0.00681 0.27 0.5391 0.9629 2060254 SpecPlus_000331 CC(=O)CC1CCCCN1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A14 compound treatment 0.361 0.00484 0.18 0.365 0.00881 0.35 0.3811 0.9533 599 SpecPlus_000332 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A15 compound treatment 0.354 -0.00216 -0.08 0.352 -0.00419 -0.17 -0.1774 -0.9448 647 SpecPlus_000333 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A16 compound treatment 0.456 0.0998 3.79 0.42 0.0638 2.57 4.501 0.982 1020463 SpecPlus_000334 Oc1cc2ccc(=O)oc2cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A17 compound treatment 0.367 0.0108 0.41 0.359 0.00281 0.11 0.3713 0.869 2060255 SpecPlus_000335 CC(=O)Oc1ccc(/C=C/c2cc(OC(=O)C)cc(OC(=O)C)c2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A18 compound treatment 0.369 0.0128 0.49 0.366 0.00981 0.4 0.6245 0.9945 812 SpecPlus_000336 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A19 compound treatment 0.366 0.00984 0.37 0.364 0.00781 0.31 0.4869 0.9963 2060256 SpecPlus_000337 CC(=CC1C(CO)C1(C)C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A20 compound treatment 0.37 0.0138 0.53 0.364 0.00781 0.31 0.5944 0.9698 3174249 SpecPlus_000338 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A21 compound treatment 0.366 0.00984 0.37 0.367 0.0108 0.44 0.5724 0.9971 2060257 SpecPlus_000339 CC1(C)[C@H](O)C[C@H](O)[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A22 compound treatment 0.367 0.0108 0.41 0.363 0.00681 0.27 0.4853 0.9804 3054588 SpecPlus_000340 COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c(C)c1OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A23 positive control 0.073 -0.283 -10.76 0.073 -0.283 -11.41 -15.678 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 A24 positive control 0.077 -0.279 -10.61 0.075 -0.281 -11.33 -15.5135 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B01 mock treatment 0.376 0.0198 0.75 0.374 0.0178 0.72 1.0406 0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B02 mock treatment 0.369 0.0128 0.49 0.363 0.00681 0.27 0.5391 0.9629 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B03 compound treatment 0.361 0.00484 0.18 0.363 0.00681 0.27 0.3241 0.9812 2060258 SpecPlus_000341 CC(=O)O[C@H]1Cc2c(OC(=O)C)cc(OC(=O)C)cc2O[C@@H]1c3ccc(OC(=O)C)c(OC(=O)C)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B04 compound treatment 0.36 0.00384 0.15 0.342 -0.0142 -0.57 -0.3011 -0.5102 2060259 SpecPlus_000342 COc1ccc2c(=O)c(CC(=O)O)coc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B05 compound treatment 0.36 0.00384 0.15 0.354 -0.00219 -0.09 0.0408 0.2389 2060260 SpecPlus_000343 COc1ccc(cc1)C2CC(=O)c3ccc(OC)cc3O2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B06 compound treatment 0.347 -0.00916 -0.35 0.356 -1.94E-4 -0.01 -0.2516 -0.7228 2476 SpecPlus_000344 CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B07 compound treatment 0.372 0.0158 0.6 0.362 0.00581 0.23 0.5912 0.9152 3054634 SpecPlus_000345 COc1c(CC=C(C)C)c2OC(C)(C)C=Cc2c3oc(=O)c(c(O)c13)c4ccc(O)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B08 compound treatment 0.373 0.0168 0.64 0.368 0.0118 0.48 0.789 0.9893 2477 SpecPlus_000346 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B09 compound treatment 0.371 0.0148 0.56 0.36 0.00381 0.15 0.5073 0.8679 1059133 SpecPlus_000347 COc1ccc(C(=O)c2ccccc2)c(O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B10 compound treatment 0.371 0.0148 0.56 0.367 0.0108 0.44 0.7068 0.9918 2478 SpecPlus_000348 COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B11 compound treatment 0.369 0.0128 0.49 0.364 0.00781 0.31 0.5676 0.9774 2060261 SpecPlus_000349 CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@@H]2CCC4[C@@]5(C)CCCC(C)(C)C5[C@@H](O)C[C@]43C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B12 compound treatment 0.372 0.0158 0.6 0.372 0.0158 0.64 0.8761 0.9996 2479 SpecPlus_000350 CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B13 compound treatment 0.375 0.0188 0.72 0.364 0.00781 0.31 0.7288 0.9318 2060262 SpecPlus_000351 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B14 compound treatment 0.371 0.0148 0.56 0.363 0.00681 0.27 0.5928 0.9451 2480 SpecPlus_000352 COP(=S)(OC)SCn1nnc2ccccc2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B15 compound treatment 0.358 0.00184 0.07 0.353 -0.00319 -0.13 -0.0415 -0.2829 2060263 SpecPlus_000353 COc1ccc(C(=O)c2ccc(O)cc2)c(O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B16 compound treatment 0.373 0.0168 0.64 0.36 0.00381 0.15 0.5611 0.8524 2481 SpecPlus_000354 CCOP(=S)(OCC)SCCSCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B17 compound treatment 0.377 0.0208 0.79 0.364 0.00781 0.31 0.7825 0.9182 1034509 SpecPlus_000355 Cc1cc(=O)c2COc3cc(O)c(O)c(C(=O)O)c3-c2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B18 compound treatment 0.372 0.0158 0.6 0.365 0.00881 0.35 0.6767 0.9682 2482 SpecPlus_000356 CCOC(=O)/C=C(\C)/OP(=O)(OC)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B19 compound treatment 0.375 0.0188 0.72 0.367 0.0108 0.44 0.8143 0.9716 3174361 SpecPlus_000357 CCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@@H](O)C(=O)[C@H]1C=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B20 compound treatment 0.372 0.0158 0.6 0.364 0.00781 0.31 0.6482 0.9542 2483 SpecPlus_000358 COP(=O)(OC)OC(Br)C(Cl)(Cl)Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B21 compound treatment 0.374 0.0178 0.68 0.371 0.0148 0.6 0.9014 0.998 1039256 SpecPlus_000359 COc1cc(cc(OC)c1OC)C(=O)N2CCOCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B22 compound treatment 0.361 0.00484 0.18 0.359 0.00281 0.11 0.2101 0.9726 2484 SpecPlus_000360 COP(=O)(OC)OC=C(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B23 positive control 0.074 -0.282 -10.72 0.072 -0.284 -11.45 -15.6796 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 B24 positive control 0.075 -0.281 -10.68 0.072 -0.284 -11.45 -15.6527 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C01 mock treatment 0.377 0.0208 0.79 0.382 0.0258 1.04 1.2954 0.991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C02 mock treatment 0.361 0.00484 0.18 0.352 -0.00419 -0.17 0.0107 0.0427 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C03 compound treatment 0.369 0.0128 0.49 0.368 0.0118 0.48 0.6815 0.9999 2060264 SpecPlus_000361 C[C@@H]1CC[C@]2(CCC3(C)[C@]4(OC2=O)C=CC5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@]53C)C4[C@H]1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C04 compound treatment 0.367 0.0108 0.41 0.344 -0.0122 -0.49 -0.0561 -0.0874 2060265 SpecPlus_000362 COC(=O)CCC(C)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C05 compound treatment 0.361 0.00484 0.18 0.388 0.0318 1.28 1.0364 0.8004 2060266 SpecPlus_000363 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C06 compound treatment 0.366 0.00984 0.37 0.368 0.0118 0.48 0.6009 0.9929 2060267 SpecPlus_000364 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C07 compound treatment 0.358 0.00184 0.07 0.352 -0.00419 -0.17 -0.0699 -0.3824 2060268 SpecPlus_000365 C[C@@H]1CC[C@]2(CCC3(C)[C@]4(OC2=O)C=CC5[C@@]6(C)CCC(=O)C(C)(C)C6CC[C@]53C)C4[C@H]1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C08 compound treatment 0.365 0.00884 0.34 0.36 0.00381 0.15 0.3461 0.9369 2060269 SpecPlus_000366 C[C@H]1CN(C[C@@H](C)N1)c2c(F)c(F)c3c(=O)c(cn(C4CC4)c3c2F)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C09 compound treatment 0.367 0.0108 0.41 0.362 0.00581 0.23 0.4568 0.964 2060270 SpecPlus_000367 CC(C)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)N)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C10 compound treatment 0.383 0.0268 1.02 0.373 0.0168 0.68 1.2002 0.9802 2060271 SpecPlus_000368 CCC(C)C(=O)c1c(O)c(C)c2oc3c(C)c(O)c(C(=O)C(C)CC)c(O)c3c2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C11 compound treatment 0.354 -0.00216 -0.08 0.347 -0.00919 -0.37 -0.3199 -0.8431 2060272 SpecPlus_000369 CC1CCC2C(CC2(C)C)C(=C)CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C12 compound treatment 0.345 -0.0112 -0.42 0.359 0.00281 0.11 -0.2198 -0.501 2060273 SpecPlus_000370 COc1cc2OCc3oc4cc(O)cc(O)c4c(=O)c3-c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C13 compound treatment 0.369 0.0128 0.49 0.368 0.0118 0.48 0.6815 0.9999 2060274 SpecPlus_000371 CC(C)C1CC=C(C)C2CC(=O)C(=CC12)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C14 compound treatment 0.371 0.0148 0.56 0.365 0.00881 0.35 0.6498 0.9751 3174366 SpecPlus_000372 C[C@H]1C2C(CC3C4CC[C@@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(=O)C)O[C@]61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C15 compound treatment 0.349 -0.00716 -0.27 0.359 0.00281 0.11 -0.1123 -0.3814 2060275 SpecPlus_000373 CC(=CC[C@H](O)C1CCC(=CC1)C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C16 compound treatment 0.377 0.0208 0.79 0.366 0.00981 0.4 0.8395 0.9484 3174367 SpecPlus_000374 NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C17 compound treatment 0.373 0.0168 0.64 0.37 0.0138 0.56 0.846 0.9976 3053888 SpecPlus_000375 CC(=CCC[C@](C)(OC(=O)C)C1CCC(=CC1)C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C18 compound treatment 0.376 0.0198 0.75 0.369 0.0128 0.52 0.8981 0.9829 2060276 SpecPlus_000376 C[C@@H]1C(=O)OC2[C@H](O)C34[C@@H]5OC(=O)[C@@]4(O[C@@H]6OC(=O)[C@H](O)[C@@]63[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C19 compound treatment 0.377 0.0208 0.79 0.368 0.0118 0.48 0.8965 0.9703 3053889 SpecPlus_000377 C[C@@H]1CC[C@H]2C(C)(C)C3CC12CC[C@@]3(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C20 compound treatment 0.368 0.0118 0.45 0.365 0.00881 0.35 0.5692 0.9931 3174369 SpecPlus_000378 C[C@H]1OC(C[C@H](O)C1O)O[C@@H]2[C@@H](C)OC(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]6C5CC[C@]7(C)[C@H]([C@@H](O)C[C@]67O)C8=CC(=O)OC8)C4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C21 compound treatment 0.367 0.0108 0.41 0.368 0.0118 0.48 0.6278 0.9974 3053891 SpecPlus_000379 OC(=O)C/C(=C\C(=O)O)/C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C22 compound treatment 0.363 0.00684 0.26 0.362 0.00581 0.23 0.3493 0.9986 2880 SpecPlus_000380 N[C@@H](CCC(=O)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C23 positive control 0.076 -0.28 -10.65 0.072 -0.284 -11.45 -15.6259 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 C24 positive control 0.076 -0.28 -10.65 0.074 -0.282 -11.37 -15.5689 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D01 mock treatment 0.38 0.0238 0.91 0.38 0.0238 0.96 1.319 0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D02 mock treatment 0.359 0.00284 0.11 0.361 0.00481 0.19 0.2134 0.962 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D03 compound treatment 0.359 0.00284 0.11 0.358 0.00181 0.07 0.1279 0.9815 976 SpecPlus_000381 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D04 compound treatment 0.36 0.00384 0.15 0.363 0.00681 0.27 0.2972 0.9565 2485 SpecPlus_000382 CCS(=O)CCSP(=O)(OC)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D05 compound treatment 0.324 -0.0322 -1.22 0.342 -0.0142 -0.57 -1.2685 -0.9402 2060277 SpecPlus_000383 COc1cccc2c(=O)c(OC)c(oc12)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D06 compound treatment 0.363 0.00684 0.26 0.359 0.00281 0.11 0.2639 0.9304 2486 SpecPlus_000384 CNC(=O)CSP(=S)(OC)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D07 compound treatment 0.374 0.0178 0.68 0.37 0.0138 0.56 0.8729 0.9952 1727302 SpecPlus_000385 COc1ccc(cc1)c2coc3cc(OC)cc(O)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D08 compound treatment 0.37 0.0138 0.53 0.366 0.00981 0.4 0.6514 0.9901 2487 SpecPlus_000386 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D09 compound treatment 0.39 0.0338 1.29 0.376 0.0198 0.8 1.4738 0.9737 2060278 SpecPlus_000387 COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)O)/C)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D10 compound treatment 0.361 0.00484 0.18 0.361 0.00481 0.19 0.2671 0.9997 2488 SpecPlus_000388 CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D11 compound treatment 0.372 0.0158 0.6 0.367 0.0108 0.44 0.7337 0.9874 2060279 SpecPlus_000389 CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC4C5CC(C)(C)CCC5(CC[C@]43C)C(=O)O)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D12 compound treatment 0.371 0.0148 0.56 0.372 0.0158 0.64 0.8493 0.9982 2489 SpecPlus_000390 COP(=O)(N)SC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D13 compound treatment 0.377 0.0208 0.79 0.366 0.00981 0.4 0.8395 0.9484 2269 SpecPlus_000391 Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D14 compound treatment 0.365 0.00884 0.34 0.371 0.0148 0.6 0.6595 0.9631 2490 SpecPlus_000392 CCOP(=S)(OCC)SCSCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D15 compound treatment 0.366 0.00984 0.37 0.358 0.00181 0.07 0.316 0.8292 2060280 SpecPlus_000393 C[C@H]1C2C(CC3C4CC[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(=O)C)O[C@]61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D16 compound treatment 0.379 0.0228 0.87 0.371 0.0148 0.6 1.0357 0.9833 2491 SpecPlus_000394 COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D17 compound treatment 0.37 0.0138 0.53 0.379 0.0228 0.92 1.0218 0.965 2060281 SpecPlus_000395 C[C@@]12CC[C@H](O)C[C@H]2CCc3ccccc31 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D18 compound treatment 0.378 0.0218 0.83 0.375 0.0188 0.76 1.1228 0.999 2492 SpecPlus_000396 CC(C)Nc1nc(Cl)nc(NC(C)C)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D19 compound treatment 0.37 0.0138 0.53 0.365 0.00881 0.35 0.6229 0.9816 2060282 SpecPlus_000397 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D20 compound treatment 0.374 0.0178 0.68 0.363 0.00681 0.27 0.6734 0.9207 2493 SpecPlus_000398 CCC(=O)Nc1ccc(Cl)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D21 compound treatment 0.369 0.0128 0.49 0.372 0.0158 0.64 0.7955 0.9914 2060283 SpecPlus_000399 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)C(=O)OC(=O)C=C43)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D22 compound treatment 0.368 0.0118 0.45 0.364 0.00781 0.31 0.5407 0.9847 2494 SpecPlus_000400 CCNc1nc(Cl)nc(NCC)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D23 positive control 0.075 -0.281 -10.68 0.072 -0.284 -11.45 -15.6527 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 D24 positive control 0.08 -0.276 -10.49 0.074 -0.282 -11.37 -15.4614 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E01 mock treatment 0.366 0.00984 0.37 0.364 0.00781 0.31 0.4869 0.9963 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E02 mock treatment 0.358 0.00184 0.07 0.353 -0.00319 -0.13 -0.0415 -0.2829 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E03 compound treatment 0.357 8.44E-4 0.03 0.349 -0.00719 -0.29 -0.1823 -0.6251 1014978 SpecPlus_000401 OCC(O)C(O)C(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E04 compound treatment 0.363 0.00684 0.26 0.346 -0.0102 -0.41 -0.1066 -0.2192 2060284 SpecPlus_000402 COc1cc(OC)c(c(OC)c1)c2c(OC)cc(OC)cc2OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E05 compound treatment 0.348 -0.00816 -0.31 0.354 -0.00219 -0.09 -0.2817 -0.8739 2060285 SpecPlus_000403 O=C1CCCCC/C=C/CCCCCCCCO1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E06 compound treatment 0.374 0.0178 0.68 0.362 0.00581 0.23 0.6449 0.8991 2060286 SpecPlus_000404 CC(C)CC(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E07 compound treatment 0.379 0.0228 0.87 0.38 0.0238 0.96 1.2922 0.9988 2060287 SpecPlus_000405 Cc1c(O)c(O)cc2c1CC=C3[C@@]2(C)CC[C@@]4(C)C5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E08 compound treatment 0.371 0.0148 0.56 0.361 0.00481 0.19 0.5358 0.8984 1010251 SpecPlus_000406 O=C(Nc1ccccc1)Nc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E09 compound treatment 0.357 8.44E-4 0.03 0.368 0.0118 0.48 0.3591 0.7531 1045072 SpecPlus_000407 NC(CSCSCC(N)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E10 compound treatment 0.377 0.0208 0.79 0.386 0.0298 1.2 1.4094 0.9796 2060288 SpecPlus_000408 Oc1ccc(cc1)C(=O)c2cccc(O)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E11 compound treatment 0.354 -0.00216 -0.08 0.38 0.0238 0.96 0.6204 0.6444 3174484 SpecPlus_000409 C[C@@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@@]43C)C2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E12 compound treatment 0.376 0.0198 0.75 0.369 0.0128 0.52 0.8981 0.9829 2060289 SpecPlus_000410 COc1cc2OCC3Oc4c5C=CC(C)(C)Oc5ccc4C(=O)C3c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E13 compound treatment 0.399 0.0428 1.63 0.386 0.0298 1.2 2.0006 0.9888 2060290 SpecPlus_000411 C[C@@H]1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(C(O)C[C@]54C)C(=O)O[C@@H]7OC[C@H](O)[C@@H](O)[C@H]7OC8O[C@@H](C)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H]8O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E14 compound treatment 0.337 -0.0192 -0.73 0.353 -0.00319 -0.13 -0.6057 -0.8194 1009973 SpecPlus_000412 OC(C(O)C(O)C(=O)O)C(O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E15 compound treatment 0.386 0.0298 1.13 0.375 0.0188 0.76 1.3378 0.9808 2060291 SpecPlus_000413 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E16 compound treatment 0.361 0.00484 0.18 0.373 0.0168 0.68 0.609 0.8678 2060292 SpecPlus_000414 CC1(C)[C@H](O)C[C@H](O)[C@@]2(C)C1C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E17 compound treatment 0.372 0.0158 0.6 0.377 0.0208 0.84 1.0186 0.9868 2060293 SpecPlus_000415 C[C@@H]1CC[C@H]2C(C)(C)C3C[C@@]12CC[C@@]3(C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E18 compound treatment 0.382 0.0258 0.98 0.379 0.0228 0.92 1.3443 0.9995 2060294 SpecPlus_000416 COc1ccc2C(=O)C(Cc3ccc(OC)c(O)c3)COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E19 compound treatment 0.367 0.0108 0.41 0.356 -1.94E-4 -0.01 0.2859 0.6936 3054072 SpecPlus_000417 OC(=O)CCCCCCCCCCCCC1CCC=C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E20 compound treatment 0.358 0.00184 0.07 0.355 -0.00119 -0.05 0.0155 0.1828 1009993 SpecPlus_000418 NCCCN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E21 compound treatment 0.377 0.0208 0.79 0.357 8.06E-4 0.03 0.5831 0.7355 3054971 SpecPlus_000419 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E22 compound treatment 0.371 0.0148 0.56 0.361 0.00481 0.19 0.5358 0.8984 3054972 SpecPlus_000420 CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C2CC1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E23 positive control 0.075 -0.281 -10.68 0.072 -0.284 -11.45 -15.6527 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 E24 positive control 0.082 -0.274 -10.42 0.076 -0.28 -11.29 -15.3507 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F01 mock treatment 0.375 0.0188 0.72 0.376 0.0198 0.8 1.0707 0.9985 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F02 mock treatment 0.363 0.00684 0.26 0.356 -1.94E-4 -0.01 0.1784 0.6856 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F03 compound treatment 0.362 0.00584 0.22 0.36 0.00381 0.15 0.2655 0.9837 2060295 SpecPlus_000421 CC(C)C1COc2cc3oc(=O)ccc3cc2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F04 compound treatment 0.36 0.00384 0.15 0.364 0.00781 0.31 0.3257 0.9391 2495 SpecPlus_000422 CCNc1nc(Cl)nc(NC(C)C)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F05 compound treatment 0.369 0.0128 0.49 0.36 0.00381 0.15 0.4536 0.8866 2060296 SpecPlus_000423 COc1ccc2CCC3CC(O)CC[C@]3(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F06 compound treatment 0.365 0.00884 0.34 0.36 0.00381 0.15 0.3461 0.9369 2496 SpecPlus_000424 CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F07 compound treatment 0.374 0.0178 0.68 0.358 0.00181 0.07 0.5309 0.7785 3054974 SpecPlus_000425 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F08 compound treatment 0.376 0.0198 0.75 0.354 -0.00219 -0.09 0.4707 0.62 2497 SpecPlus_000426 CNC(=O)N(C)c1nnc(s1)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F09 compound treatment 0.363 0.00684 0.26 0.37 0.0138 0.56 0.5773 0.94 2060297 SpecPlus_000427 COc1cccc2c(C)cc(O)nc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F10 compound treatment 0.367 0.0108 0.41 0.361 0.00481 0.19 0.4283 0.9407 2498 SpecPlus_000428 COc1c(Cl)ccc(Cl)c1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F11 compound treatment 0.365 0.00884 0.34 0.377 0.0208 0.84 0.8305 0.9194 2060298 SpecPlus_000429 CCCCCC1C(CC(=O)O)CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F12 compound treatment 0.367 0.0108 0.41 0.358 0.00181 0.07 0.3429 0.8193 2499 SpecPlus_000430 CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F13 compound treatment 0.38 0.0238 0.91 0.375 0.0188 0.76 1.1766 0.9961 2060299 SpecPlus_000431 CC1(C)CC2/C(=C/C=C/C(C)(O)CCC21O)/CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F14 compound treatment 0.361 0.00484 0.18 0.374 0.0178 0.72 0.6375 0.8606 2500 SpecPlus_000432 COc1nc(NC(C)C)nc(NC(C)C)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F15 compound treatment 0.365 0.00884 0.34 0.38 0.0238 0.96 0.916 0.9011 2060300 SpecPlus_000433 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)c(c4cc(ccc4OC)c5cc(=O)c6c(O)cc(O)cc6o5)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F16 compound treatment 0.376 0.0198 0.75 0.372 0.0158 0.64 0.9836 0.9965 2501 SpecPlus_000434 CCc1cccc(C)c1N(C(C)COC)C(=O)CCl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F17 compound treatment 0.378 0.0218 0.83 0.377 0.0208 0.84 1.1798 1.0 2060301 SpecPlus_000435 COc1ccc(cc1O)c2cc(=O)c3c(O)cc(O)cc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F18 compound treatment 0.372 0.0158 0.6 0.379 0.0228 0.92 1.0756 0.979 2502 SpecPlus_000436 Clc1cccc(Cl)c1C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F19 compound treatment 0.371 0.0148 0.56 0.364 0.00781 0.31 0.6213 0.962 3054976 SpecPlus_000437 CC(C)[C@@H]1CC[C@@H](C)CC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F20 compound treatment 0.38 0.0238 0.91 0.37 0.0138 0.56 1.0341 0.9726 2503 SpecPlus_000438 CSc1nc(NC(C)C)nc(NC(C)C)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F21 compound treatment 0.359 0.00284 0.11 0.36 0.00381 0.15 0.1849 0.9853 2060302 SpecPlus_000439 CC(C)CCC[C@@H](C)CCC[C@@H](C)CC/C(=C/CO)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F22 compound treatment 0.357 8.44E-4 0.03 0.361 0.00481 0.19 0.1596 0.8131 2504 SpecPlus_000440 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F23 positive control 0.077 -0.279 -10.61 0.072 -0.284 -11.45 -15.599 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 F24 positive control 0.079 -0.277 -10.53 0.075 -0.281 -11.33 -15.4598 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G01 mock treatment 0.381 0.0248 0.94 0.381 0.0248 1.0 1.3744 0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G02 mock treatment 0.357 8.44E-4 0.03 0.357 8.06E-4 0.03 0.0457 1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G03 compound treatment 0.355 -0.00116 -0.04 0.355 -0.00119 -0.05 -0.0651 -0.999 2475 SpecPlus_000441 CC(=CC1C(C(=O)O)C1(C)C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G04 compound treatment 0.364 0.00784 0.3 0.355 -0.00119 -0.05 0.1768 0.5854 2060303 SpecPlus_000442 Cc1occc(=O)c1/C=C/O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G05 compound treatment 0.356 -1.56E-4 -0.01 0.354 -0.00219 -0.09 -0.0667 -0.7529 1003823 SpecPlus_000443 Cc1occc(=O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G06 compound treatment 0.361 0.00484 0.18 0.356 -1.94E-4 -0.01 0.1246 0.6765 2060304 SpecPlus_000444 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G07 compound treatment 0.372 0.0158 0.6 0.366 0.00981 0.4 0.7052 0.9791 3174490 SpecPlus_000445 COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5cc(O)c4C(=O)[C@H]3c2cc1OC)C(=C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G08 compound treatment 0.371 0.0148 0.56 0.363 0.00681 0.27 0.5928 0.9451 2060305 SpecPlus_000446 CCCCC[C@H](CC(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G09 compound treatment 0.365 0.00884 0.34 0.359 0.00281 0.11 0.3176 0.8957 2060306 SpecPlus_000447 C[C@@H](CCOC(=O)C)CCC=C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G10 compound treatment 0.395 0.0388 1.48 0.39 0.0338 1.36 2.007 0.9992 401 SpecPlus_000448 COc1cccc2c1cc([N+](=O)[O-])c3c(cc4OCOc4c23)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G11 compound treatment 0.367 0.0108 0.41 0.371 0.0148 0.6 0.7133 0.9837 2060307 SpecPlus_000449 COc1ccc2[C@@H](O)[C@H](Cc3ccc(OC)c(OC)c3)COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G12 compound treatment 0.379 0.0228 0.87 0.367 0.0108 0.44 0.9218 0.9491 2060308 SpecPlus_000450 C/C(=C/C(=O)O)/C=C/C1(O)C(=CC(=O)CC1(C)C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G13 compound treatment 0.384 0.0278 1.06 0.376 0.0198 0.8 1.3126 0.9903 3174492 SpecPlus_000451 CN1[C@H]2CC3CC1C(O)C2O3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G14 compound treatment 0.358 0.00184 0.07 0.365 0.00881 0.35 0.3005 0.8307 1043296 SpecPlus_000452 Cc1nccc2c3ccc(O)cc3[nH]c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G15 compound treatment 0.366 0.00984 0.37 0.367 0.0108 0.44 0.5724 0.9971 1052459 SpecPlus_000453 COc1c2ccoc2cc3oc(C)cc(=O)c13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G16 compound treatment 0.369 0.0128 0.49 0.354 -0.00219 -0.09 0.2826 0.5698 3054980 SpecPlus_000454 Nc1ncnc2n(cnc12)C3C[C@H](O)[C@@H](CO)O3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G17 compound treatment 0.372 0.0158 0.6 0.366 0.00981 0.4 0.7052 0.9791 3174493 SpecPlus_000455 N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G18 compound treatment 0.374 0.0178 0.68 0.37 0.0138 0.56 0.8729 0.9952 2060309 SpecPlus_000456 CC12CCC3C(CCC4(O)CC(O)CCC34/C=N/NC(=O)N)C2(O)CCC1C5=CC(=O)OC5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G19 compound treatment 0.372 0.0158 0.6 0.361 0.00481 0.19 0.5627 0.8897 1003215 SpecPlus_000457 CC(C)C1=CC(=O)C(=CC1=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G20 compound treatment 0.364 0.00784 0.3 0.366 0.00981 0.4 0.4902 0.9903 3054981 SpecPlus_000458 COc1ccc(cc1)c2cc(=O)c3c(OC(=O)C)cc(OC(=O)C)cc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G21 compound treatment 0.348 -0.00816 -0.31 0.352 -0.00419 -0.17 -0.3387 -0.9593 2060310 SpecPlus_000459 CC(C)C1=CC2=CC[C@H]3[C@](C)(CO)CCC[C@]3(C)C2CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G22 compound treatment 0.405 0.0488 1.86 0.407 0.0508 2.05 2.7602 0.9988 1113841 SpecPlus_000460 Oc1ccc2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G23 positive control 0.077 -0.279 -10.61 0.073 -0.283 -11.41 -15.5705 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 G24 positive control 0.081 -0.275 -10.46 0.077 -0.279 -11.25 -15.349 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H01 mock treatment 0.365 0.00884 0.34 0.356 -1.94E-4 -0.01 0.2321 0.6905 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H02 mock treatment 0.355 -0.00116 -0.04 0.358 0.00181 0.07 0.0204 0.24 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H03 compound treatment 0.358 0.00184 0.07 0.346 -0.0102 -0.41 -0.2409 -0.5781 3174602 SpecPlus_000461 O=c1[nH]cnc2nc[nH]c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H04 compound treatment 0.359 0.00284 0.11 0.355 -0.00119 -0.05 0.0424 0.3585 2505 SpecPlus_000462 CC(C)N1C(=O)c2ccccc2NS1(=O)=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H05 compound treatment 0.399 0.0428 1.63 0.39 0.0338 1.36 2.1145 0.9961 1016582 SpecPlus_000463 COc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H06 compound treatment 0.361 0.00484 0.18 0.356 -1.94E-4 -0.01 0.1246 0.6765 2506 SpecPlus_000464 OC(=O)COc1ccc(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H07 compound treatment 0.365 0.00884 0.34 0.422 0.0658 2.65 2.1127 0.7904 2060311 SpecPlus_000465 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3C=C[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H08 compound treatment 0.367 0.0108 0.41 0.364 0.00781 0.31 0.5138 0.9911 2507 SpecPlus_000466 OC(=O)CCCOc1ccc(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H09 compound treatment 0.382 0.0258 0.98 0.369 0.0128 0.52 1.0594 0.9549 2060312 SpecPlus_000467 NC(Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H10 compound treatment 0.357 8.44E-4 0.03 0.378 0.0218 0.88 0.644 0.7324 2508 SpecPlus_000468 OC(=O)COc1cc(Cl)c(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H11 compound treatment 0.356 -1.56E-4 -0.01 0.351 -0.00519 -0.21 -0.1522 -0.7269 2060313 SpecPlus_000469 C/C/1=C/CC(C)(C)\C=C\C\C(=C\CC1)\C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H12 compound treatment 0.356 -1.56E-4 -0.01 0.357 8.06E-4 0.03 0.0188 0.5685 2509 SpecPlus_000470 CCc1cccc(CC)c1N(COC)C(=O)CCl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H13 compound treatment 0.38 0.0238 0.91 0.355 -0.00119 -0.05 0.6067 0.6686 1090658 SpecPlus_000471 COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H14 compound treatment 0.364 0.00784 0.3 0.369 0.0128 0.52 0.5757 0.966 2510 SpecPlus_000472 COC(=O)COc1ccc(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H15 compound treatment 0.382 0.0258 0.98 0.393 0.0368 1.48 1.7432 0.98 3419385 SpecPlus_000473 CC12CC=C3C(CCC4=CC(=O)C=CC43C)C2CCC1C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H16 compound treatment 0.351 -0.00516 -0.2 0.329 -0.0272 -1.1 -0.9134 -0.8205 2511 SpecPlus_000474 COC(=O)CCCOc1ccc(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H17 compound treatment 0.351 -0.00516 -0.2 0.355 -0.00119 -0.05 -0.1726 -0.8553 2572 SpecPlus_000475 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c32)cc7)N(C)CCc6cc5OC)c4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H18 compound treatment 0.356 -1.56E-4 -0.01 0.368 0.0118 0.48 0.3322 0.6982 2512 SpecPlus_000476 COC(=O)COc1cc(Cl)c(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H19 compound treatment 0.425 0.0688 2.62 0.418 0.0618 2.49 3.611 0.9997 1119359 SpecPlus_000477 COc1cc2ccc(=O)oc2c(O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H20 compound treatment 0.359 0.00284 0.11 0.372 0.0158 0.64 0.5268 0.8154 2513 SpecPlus_000478 OC(=O)CNCP(=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H21 compound treatment 0.351 -0.00516 -0.2 0.378 0.0218 0.88 0.4828 0.5363 2060314 SpecPlus_000479 COC(=O)c1c(C)c2Oc3c(Cl)c(OC)c(Cl)c(C)c3C(=O)Oc2c(C)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H22 compound treatment 0.358 0.00184 0.07 0.354 -0.00219 -0.09 -0.013 -0.1149 2514 SpecPlus_000480 CCCCCCC(C)OC(=O)COc1ccc(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H23 positive control 0.079 -0.277 -10.53 0.074 -0.282 -11.37 -15.4883 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 H24 positive control 0.081 -0.275 -10.46 0.078 -0.278 -11.21 -15.3205 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I01 mock treatment 0.369 0.0128 0.49 0.363 0.00681 0.27 0.5391 0.9629 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I02 mock treatment 0.355 -0.00116 -0.04 0.348 -0.00819 -0.33 -0.2645 -0.7942 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I03 compound treatment 0.357 8.44E-4 0.03 0.349 -0.00719 -0.29 -0.1823 -0.6251 3174607 SpecPlus_000481 CC[C@@H]1[C@@H](OC(=O)C)N2[C@H]3C[C@@]45C(OC(=O)C)C3[C@@H]1CC2[C@@H]5N(C)c6ccccc64 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I04 compound treatment 0.368 0.0118 0.45 0.357 8.06E-4 0.03 0.3412 0.7562 1010348 SpecPlus_000482 OC1=CC(=O)c2ccccc2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I05 compound treatment 0.356 -1.56E-4 -0.01 0.369 0.0128 0.52 0.3607 0.6989 2060046 SpecPlus_000483 C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)[C@@]4(C)O[C@]43[C@H]2OC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I06 compound treatment 0.356 -1.56E-4 -0.01 0.344 -0.0122 -0.49 -0.3516 -0.7156 1009367 SpecPlus_000484 OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I07 compound treatment 0.358 0.00184 0.07 0.355 -0.00119 -0.05 0.0155 0.1828 1003115 SpecPlus_000485 COc1cc(cc(OC)c1O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I08 compound treatment 0.371 0.0148 0.56 0.375 0.0188 0.76 0.9347 0.9894 2060315 SpecPlus_000486 C[N+]1(C)C[C@H](O)[C@@H](C1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I09 compound treatment 0.381 0.0248 0.94 0.411 0.0548 2.21 2.2292 0.9281 2060316 SpecPlus_000487 COc1c2C=CC(C)(C)Oc2cc3occ(c4ccc5OCOc5c4)c(=O)c13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I10 compound treatment 0.377 0.0208 0.79 0.374 0.0178 0.72 1.0675 0.9988 1002002 SpecPlus_000488 O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I11 compound treatment 0.36 0.00384 0.15 0.376 0.0198 0.8 0.6677 0.8228 2060317 SpecPlus_000489 COc1cc(OC)c2c(OC)c(c3ccc4OCOc4c3)c(=O)oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I12 compound treatment 0.372 0.0158 0.6 0.374 0.0178 0.72 0.9331 0.9962 1024984 SpecPlus_000490 COc1cc2cccc(OC)c(=O)c2c(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I13 compound treatment 0.361 0.00484 0.18 0.377 0.0208 0.84 0.723 0.8423 1065857 SpecPlus_000491 NC(CNC(=O)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I14 compound treatment 0.348 -0.00816 -0.31 0.38 0.0238 0.96 0.4592 0.4555 3174608 SpecPlus_000492 COC1C(O)C(O)C(O)[C@@H](O)C1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I15 compound treatment 0.361 0.00484 0.18 0.389 0.0328 1.32 1.0649 0.7979 1651081 SpecPlus_000493 COc1cc(O)c2c(=O)c(coc2c1)c3ccc(O)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I16 compound treatment 0.369 0.0128 0.49 0.364 0.00781 0.31 0.5676 0.9774 3174609 SpecPlus_000494 CC(C)c1c(C(=O)c2ccccc2)c(c(c3ccc(F)cc3)n1CC[C@@H](O)C[C@@H](O)CC(=O)O)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I17 compound treatment 0.37 0.0138 0.53 0.358 0.00181 0.07 0.4235 0.7974 1011559 SpecPlus_000495 Cc1cc(=O)oc2cc(O)c(O)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I18 compound treatment 0.356 -1.56E-4 -0.01 0.372 0.0158 0.64 0.4462 0.7005 3174610 SpecPlus_000496 COc1cc(cc(OC)c1OC)C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@@]3(C[C@@]6(O)[C@@H]7CN8C[C@@H](C)CC[C@H]8[C@@](C)(O)[C@@]7(O)[C@@H](O)C[C@@]56O)O[C@@]42O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I19 compound treatment 0.377 0.0208 0.79 0.394 0.0378 1.52 1.6373 0.9536 1030891 SpecPlus_000497 Cc1cc(=O)oc2c(O)c(O)ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I20 compound treatment 0.377 0.0208 0.79 0.36 0.00381 0.15 0.6686 0.8286 2060318 SpecPlus_000498 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@]12O[C@]2(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/C3=C(C)C[C@@H](O)CC3(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I21 compound treatment 0.353 -0.00316 -0.12 0.345 -0.0112 -0.45 -0.4038 -0.8651 2060319 SpecPlus_000499 COc1ccc(cc1)c2oc3ccccc3c(=O)c2OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I22 compound treatment 0.37 0.0138 0.53 0.365 0.00881 0.35 0.6229 0.9816 839435 SpecPlus_000500 NCCCCNC(=N)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I23 positive control 0.078 -0.278 -10.57 0.073 -0.283 -11.41 -15.5436 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 I24 positive control 0.083 -0.273 -10.38 0.078 -0.278 -11.21 -15.2668 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J01 mock treatment 0.352 -0.00416 -0.16 0.352 -0.00419 -0.17 -0.2312 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J02 mock treatment 0.352 -0.00416 -0.16 0.347 -0.00919 -0.37 -0.3736 -0.9278 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J03 compound treatment 0.355 -0.00116 -0.04 0.345 -0.0112 -0.45 -0.35 -0.7723 854065 SpecPlus_000501 CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J04 compound treatment 0.353 -0.00316 -0.12 0.389 0.0328 1.32 0.85 0.6403 2515 SpecPlus_000502 CCCCCCC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J05 compound treatment 0.357 8.44E-4 0.03 0.349 -0.00719 -0.29 -0.1823 -0.6251 2060320 SpecPlus_000503 COc1ccc2CC[C@@H]3CC(=O)CC[C@]3(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J06 compound treatment 0.359 0.00284 0.11 0.359 0.00281 0.11 0.1564 0.9997 2516 SpecPlus_000504 CC(C)OC(=O)Nc1cccc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J07 compound treatment 0.436 0.0798 3.03 0.424 0.0678 2.73 4.0775 0.9986 2060321 SpecPlus_000505 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J08 compound treatment 0.363 0.00684 0.26 0.382 0.0258 1.04 0.9192 0.8575 2517 SpecPlus_000506 CC(C)N(C(=O)CCl)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J09 compound treatment 0.356 -1.56E-4 -0.01 0.359 0.00281 0.11 0.0758 0.6691 2060322 SpecPlus_000507 COc1ccc2c(=O)c(OC)c(oc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J10 compound treatment 0.387 0.0308 1.17 0.393 0.0368 1.48 1.8776 0.9932 2518 SpecPlus_000508 CCCCSP(=O)(SCCCC)SCCCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J11 compound treatment 0.37 0.0138 0.53 0.38 0.0238 0.96 1.0503 0.96 2060323 SpecPlus_000509 COc1ccccc1c2cc(=O)c3c(OC)cccc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J12 compound treatment 0.385 0.0288 1.1 0.38 0.0238 0.96 1.4534 0.9978 2519 SpecPlus_000510 CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J13 compound treatment 0.349 -0.00716 -0.27 0.378 0.0218 0.88 0.4291 0.4664 2060324 SpecPlus_000511 CC12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J14 compound treatment 0.364 0.00784 0.3 0.372 0.0158 0.64 0.6612 0.9402 2520 SpecPlus_000512 Clc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J15 compound treatment 0.378 0.0218 0.83 0.376 0.0198 0.8 1.1513 0.9998 3174614 SpecPlus_000513 CC(C)CCCC(C)C1CCC2C3CC=C4C[C@@H](O)CCC4(C)C3CCC12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J16 compound treatment 0.35 -0.00616 -0.23 0.361 0.00481 0.19 -0.0285 -0.0937 2521 SpecPlus_000514 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J17 compound treatment 0.376 0.0198 0.75 0.36 0.00381 0.15 0.6417 0.8339 3174615 SpecPlus_000515 CC(C)CCCC(C)[C@H]1CCC2C3CC=C4CC(=O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J18 compound treatment 0.355 -0.00116 -0.04 0.343 -0.0132 -0.53 -0.407 -0.7629 2522 SpecPlus_000516 CNC(=O)Oc1cccc2CC(C)(C)Oc21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J19 compound treatment 0.361 0.00484 0.18 0.376 0.0198 0.8 0.6945 0.8479 2060325 SpecPlus_000517 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J20 compound treatment 0.355 -0.00116 -0.04 0.343 -0.0132 -0.53 -0.407 -0.7629 2523 SpecPlus_000518 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J21 compound treatment 0.352 -0.00416 -0.16 0.355 -0.00119 -0.05 -0.1457 -0.8824 1737132 SpecPlus_000519 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J22 compound treatment 0.366 0.00984 0.37 0.356 -1.94E-4 -0.01 0.259 0.6922 2524 SpecPlus_000520 COP(=O)(NC(=O)C)SC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J23 positive control 0.08 -0.276 -10.49 0.075 -0.281 -11.33 -15.4329 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 J24 positive control 0.083 -0.273 -10.38 0.077 -0.279 -11.25 -15.2953 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K01 mock treatment 0.347 -0.00916 -0.35 0.348 -0.00819 -0.33 -0.4795 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K02 mock treatment 0.345 -0.0112 -0.42 0.337 -0.0192 -0.77 -0.8467 -0.9599 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K03 compound treatment 0.343 -0.0132 -0.5 0.341 -0.0152 -0.61 -0.7864 -0.9949 1499608 SpecPlus_000521 COc1ccc2c(=O)cc(oc2c1)c3ccccc3OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K04 compound treatment 0.349 -0.00716 -0.27 0.346 -0.0102 -0.41 -0.4827 -0.9799 2060326 SpecPlus_000522 CC(=C)C1CC[C@@](C)(O)C2CC3OC3(C)C2C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K05 compound treatment 0.347 -0.00916 -0.35 0.34 -0.0162 -0.65 -0.7075 -0.9566 1031375 SpecPlus_000523 NC(CCCNC(=O)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K06 compound treatment 0.394 0.0378 1.44 0.385 0.0288 1.16 1.8377 0.9944 2060327 SpecPlus_000524 COc1cc2CCN(C)[C@H]3Oc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c32)cc7)N(C)CCc6cc5OC)c4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K07 compound treatment 0.411 0.0548 2.08 0.411 0.0548 2.21 3.0354 0.9996 2060328 SpecPlus_000525 CC(C)CC(=O)c1c(O)c(C)c(O)c2c1oc3c(C(=O)CC(C)C)c(O)c(C)c(O)c32 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K08 compound treatment 0.375 0.0188 0.72 0.419 0.0628 2.53 2.296 0.8729 3172723 SpecPlus_000526 CC(=O)OC[C@@]1(O)C[C@@]2(C[C@H]1CCC23)CCC4c5ccoc5CC[C@@]43C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K09 compound treatment 0.343 -0.0132 -0.5 0.339 -0.0172 -0.69 -0.8434 -0.9872 1001933 SpecPlus_000527 CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K10 compound treatment 0.374 0.0178 0.68 0.369 0.0128 0.52 0.8444 0.9909 1978 SpecPlus_000528 OC(=O)/C=C/c1ccc(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K11 compound treatment 0.377 0.0208 0.79 0.355 -0.00119 -0.05 0.5261 0.6629 2060329 SpecPlus_000529 CCOc1ccc(cc1)c2cc(=O)c3c(OCC)cc(OCC)c(c4cc(ccc4OC)c5cc(=O)c6c(OCC)cc(OC)cc6o5)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K12 compound treatment 0.357 8.44E-4 0.03 0.338 -0.0182 -0.73 -0.4957 -0.6755 2060330 SpecPlus_000530 OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K13 compound treatment 0.344 -0.0122 -0.46 0.363 0.00681 0.27 -0.1327 -0.247 2181 SpecPlus_000531 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K14 compound treatment 0.376 0.0198 0.75 0.356 -1.94E-4 -0.01 0.5277 0.6998 2554 SpecPlus_000532 C[C@H]1[C@H]2CCC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23CN1C)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K15 compound treatment 0.357 8.44E-4 0.03 0.348 -0.00819 -0.33 -0.2108 -0.6354 2060331 SpecPlus_000533 CC1=CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K16 compound treatment 0.365 0.00884 0.34 0.376 0.0198 0.8 0.802 0.9261 2060332 SpecPlus_000534 OC/C=C/c1ccc(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K17 compound treatment 0.354 -0.00216 -0.08 0.361 0.00481 0.19 0.079 0.3757 1013195 SpecPlus_000535 Nc1ncnc2[nH]cnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K18 compound treatment 0.356 -1.56E-4 -0.01 0.346 -0.0102 -0.41 -0.2947 -0.7173 3055245 SpecPlus_000536 CCC[C@@H]1CCCCN1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K19 compound treatment 0.363 0.00684 0.26 0.372 0.0158 0.64 0.6343 0.9219 3172726 SpecPlus_000537 C[C@]12C3CCC(O3)[C@]2(C)C(=O)OC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K20 compound treatment 0.31 -0.0462 -1.75 0.319 -0.0372 -1.5 -2.3001 -0.9969 3055248 SpecPlus_000538 C=CC(C1=CC(=O)C=CC1=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K21 compound treatment 0.374 0.0178 0.68 0.35 -0.00619 -0.25 0.303 0.4193 3172727 SpecPlus_000539 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K22 compound treatment 0.365 0.00884 0.34 0.358 0.00181 0.07 0.2891 0.8408 2060333 SpecPlus_000540 COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K23 positive control 0.084 -0.272 -10.34 0.076 -0.28 -11.29 -15.2969 -0.999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 K24 positive control 0.087 -0.269 -10.23 0.078 -0.278 -11.21 -15.1593 -0.999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L01 mock treatment 0.352 -0.00416 -0.16 0.346 -0.0102 -0.41 -0.4021 -0.9138 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L02 mock treatment 0.352 -0.00416 -0.16 0.349 -0.00719 -0.29 -0.3167 -0.9592 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L03 compound treatment 0.347 -0.00916 -0.35 0.335 -0.0212 -0.85 -0.8499 -0.9216 4895 SpecPlus_000541 C[n+]1cccc(c1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L04 compound treatment 0.354 -0.00216 -0.08 0.356 -1.94E-4 -0.01 -0.0635 -0.7709 3172728 SpecPlus_000542 CNC(=O)O/N=C(/C)\SC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L05 compound treatment 0.355 -0.00116 -0.04 0.356 -1.94E-4 -0.01 -0.0366 -0.8198 2060334 SpecPlus_000543 C[C@H]1[C@@H](O)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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L06 compound treatment 0.362 0.00584 0.22 0.355 -0.00119 -0.05 0.123 0.5414 3055253 SpecPlus_000544 CNC(=O)O/N=C/C(C)(C)SC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L07 compound treatment 0.381 0.0248 0.94 0.382 0.0258 1.04 1.4029 0.9988 1275107 SpecPlus_000545 C1Cc2c(CN1)[nH]c3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L08 compound treatment 0.348 -0.00816 -0.31 0.347 -0.00919 -0.37 -0.4811 -0.9961 2527 SpecPlus_000546 COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L09 compound treatment 0.359 0.00284 0.11 0.359 0.00281 0.11 0.1564 0.9997 802058 SpecPlus_000547 COc1cc(/C=C/C(=O)O)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L10 compound treatment 0.357 8.44E-4 0.03 0.361 0.00481 0.19 0.1596 0.8131 2528 SpecPlus_000548 CNC(=O)Oc1cccc2OC(C)(C)Oc21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L11 compound treatment 0.404 0.0478 1.82 0.383 0.0268 1.08 2.0494 0.9691 2081691 SpecPlus_000549 CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L12 compound treatment 0.408 0.0518 1.97 0.407 0.0508 2.05 2.8408 0.9998 2529 SpecPlus_000550 COP(=S)(OC)Oc1ccc(SC)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L13 compound treatment 0.365 0.00884 0.34 0.369 0.0128 0.52 0.6025 0.9784 3172730 SpecPlus_000551 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4ccco4)ncnc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L14 compound treatment 0.358 0.00184 0.07 0.368 0.0118 0.48 0.386 0.8026 2530 SpecPlus_000552 CCCSP(=O)(OCC)SCCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L15 compound treatment 0.379 0.0228 0.87 0.374 0.0178 0.72 1.1212 0.9955 907179 SpecPlus_000553 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)/C=C/C=C(\C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L16 compound treatment 0.365 0.00884 0.34 0.37 0.0138 0.56 0.631 0.9709 2531 SpecPlus_000554 CNC(=O)Oc1ccccc1OC(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L17 compound treatment 0.379 0.0228 0.87 0.38 0.0238 0.96 1.2922 0.9988 1713087 SpecPlus_000555 COc1ccc(cc1OC)c2cc(=O)c3ccccc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L18 compound treatment 0.381 0.0248 0.94 0.368 0.0118 0.48 1.004 0.9497 2532 SpecPlus_000556 CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L19 compound treatment 0.369 0.0128 0.49 0.363 0.00681 0.27 0.5391 0.9629 2060335 SpecPlus_000557 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L20 compound treatment 0.34 -0.0162 -0.61 0.336 -0.0202 -0.81 -1.0095 -0.9904 2533 SpecPlus_000558 Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L21 compound treatment 0.375 0.0188 0.72 0.38 0.0238 0.96 1.1847 0.9896 3172732 SpecPlus_000559 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L22 compound treatment 0.371 0.0148 0.56 0.366 0.00981 0.4 0.6783 0.9848 3055306 SpecPlus_000560 C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L23 positive control 0.082 -0.274 -10.42 0.075 -0.281 -11.33 -15.3791 -0.9991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 L24 positive control 0.087 -0.269 -10.23 0.077 -0.279 -11.25 -15.1878 -0.9989 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M01 mock treatment 0.357 8.44E-4 0.03 0.356 -1.94E-4 -0.01 0.0172 0.5199 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M02 mock treatment 0.338 -0.0182 -0.69 0.344 -0.0122 -0.49 -0.8353 -0.9862 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M03 compound treatment 0.34 -0.0162 -0.61 0.353 -0.00319 -0.13 -0.5251 -0.8371 3172733 SpecPlus_000561 Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M04 compound treatment 0.346 -0.0102 -0.39 0.351 -0.00519 -0.21 -0.4209 -0.9587 2060336 SpecPlus_000562 CCOc1cccc(c1)C(=O)c2ccc(O)c(O)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M05 compound treatment 0.347 -0.00916 -0.35 0.344 -0.0122 -0.49 -0.5935 -0.9857 3055308 SpecPlus_000563 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M06 compound treatment 0.382 0.0258 0.98 0.38 0.0238 0.96 1.3728 0.9999 2060337 SpecPlus_000564 COc1ccc(cc1O)c2oc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M07 compound treatment 0.359 0.00284 0.11 0.354 -0.00219 -0.09 0.0139 0.0996 3055310 SpecPlus_000565 COc1c(O)cc2C(=O)O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3c2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M08 compound treatment 0.374 0.0178 0.68 0.369 0.0128 0.52 0.8444 0.9909 2060338 SpecPlus_000566 CC(C)c1ccc2c(CC[C@H]3C4=C(CC[C@@]32C)C(=O)OC4)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M09 compound treatment 0.357 8.44E-4 0.03 0.363 0.00681 0.27 0.2166 0.7844 2060339 SpecPlus_000567 COc1cc2N3C4[C@H]5[C@H]6C[C@@H]7N(CC[C@@]74c2cc1OC)CC6=CCOC5CC3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M10 compound treatment 0.366 0.00984 0.37 0.362 0.00581 0.23 0.43 0.9745 3055313 SpecPlus_000568 CC(C)[C@@]12O[C@H]2[C@@H]3O[C@]34[C@]5(O[C@H]5C[C@H]6C7=C(CC[C@@]64C)C(=O)OC7)C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M11 compound treatment 0.363 0.00684 0.26 0.361 0.00481 0.19 0.3209 0.9895 1113269 SpecPlus_000569 CN1Cc2c3OCOc3ccc2C4C(O)Cc5cc6OCOc6cc5C41 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M12 compound treatment 0.367 0.0108 0.41 0.361 0.00481 0.19 0.4283 0.9407 2060340 SpecPlus_000570 CC(=O)/C(=C\c1ccccc1)/CC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M13 compound treatment 0.365 0.00884 0.34 0.363 0.00681 0.27 0.4316 0.9949 1064620 SpecPlus_000571 COC1=CC23CCCN3CCc4cc5OCOc5cc4C2C1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M14 compound treatment 0.366 0.00984 0.37 0.375 0.0188 0.76 0.8004 0.947 2060341 SpecPlus_000572 COc1ccc2C(=O)C3(CC3Oc2c1)c4ccccc4OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M15 compound treatment 0.341 -0.0152 -0.58 0.337 -0.0192 -0.77 -0.9542 -0.9895 2060342 SpecPlus_000573 O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c3cc(O)c(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M16 compound treatment 0.395 0.0388 1.48 0.384 0.0278 1.12 1.8361 0.9908 1020994 SpecPlus_000574 COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M17 compound treatment 0.343 -0.0132 -0.5 0.366 0.00981 0.4 -0.0741 -0.1163 2060343 SpecPlus_000575 CCCc1occc(=O)c1/C=C/O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M18 compound treatment 0.429 0.0728 2.77 0.41 0.0538 2.17 3.4905 0.9927 3172852 SpecPlus_000576 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M19 compound treatment 0.36 0.00384 0.15 0.338 -0.0182 -0.73 -0.4151 -0.5553 3055321 SpecPlus_000577 CC(CCC(=O)O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M20 compound treatment 0.371 0.0148 0.56 0.375 0.0188 0.76 0.9347 0.9894 3172853 SpecPlus_000578 C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@@H](O)COC2O[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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M21 compound treatment 0.368 0.0118 0.45 0.379 0.0228 0.92 0.9681 0.946 2060344 SpecPlus_000579 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C=C[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M22 compound treatment 0.374 0.0178 0.68 0.361 0.00481 0.19 0.6164 0.8741 2060345 SpecPlus_000580 C[C@@H]1OC(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](OC9OC[C@H](O)[C@H](O)[C@H]9OC%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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M23 positive control 0.087 -0.269 -10.23 0.078 -0.278 -11.21 -15.1593 -0.999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 M24 positive control 0.09 -0.266 -10.11 0.078 -0.278 -11.21 -15.0787 -0.9987 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N01 mock treatment 0.331 -0.0252 -0.96 0.325 -0.0312 -1.26 -1.5648 -0.9909 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N02 mock treatment 0.323 -0.0332 -1.26 0.317 -0.0392 -1.58 -2.0077 -0.9937 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N03 compound treatment 0.357 8.44E-4 0.03 0.349 -0.00719 -0.29 -0.1823 -0.6251 2060346 SpecPlus_000581 CC(=O)Oc1cc2c(CC=C3[C@@]2(C)CC[C@@]4(C)C5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O)c(C)c1OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N04 compound treatment 0.331 -0.0252 -0.96 0.334 -0.0222 -0.89 -1.3084 -0.9994 2534 SpecPlus_000582 ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N05 compound treatment 0.397 0.0408 1.55 0.398 0.0418 1.68 2.2887 0.9992 2060347 SpecPlus_000583 COc1cc(ccc1O)c2oc3c(OC)c(O)cc(O)c3c(=O)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N06 compound treatment 0.332 -0.0242 -0.92 0.338 -0.0182 -0.73 -1.1675 -0.9938 2535 SpecPlus_000584 CC1(C)C(C(Cl)Cl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N07 compound treatment 0.362 0.00584 0.22 0.348 -0.00819 -0.33 -0.0764 -0.1921 2060348 SpecPlus_000585 CCC/C=C/1\OC(=O)C2=C1CCC=C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N08 compound treatment 0.335 -0.0212 -0.8 0.349 -0.00719 -0.29 -0.7735 -0.905 2536 SpecPlus_000586 ClC1CC2C(C1Cl)C3(Cl)C(Cl)C(Cl)C2(Cl)C3(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N09 compound treatment 0.456 0.0998 3.79 0.42 0.0638 2.57 4.501 0.982 3055363 SpecPlus_000587 COc1cc(/C=C/C(=C/C(=O)\C=C\c2ccc(O)c(OC)c2)/O)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N10 compound treatment 0.355 -0.00116 -0.04 0.34 -0.0162 -0.65 -0.4925 -0.753 2537 SpecPlus_000588 COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N11 compound treatment 0.354 -0.00216 -0.08 0.335 -0.0212 -0.85 -0.6618 -0.7714 2060349 SpecPlus_000589 CCC[C@H]1CC2=C(C[C@@H](CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N12 compound treatment 0.346 -0.0102 -0.39 0.365 0.00881 0.35 -0.022 -0.0419 2538 SpecPlus_000590 ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N13 compound treatment 0.377 0.0208 0.79 0.365 0.00881 0.35 0.811 0.9344 2060350 SpecPlus_000591 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N14 compound treatment 0.333 -0.0232 -0.88 0.333 -0.0232 -0.93 -1.2831 -0.9995 2539 SpecPlus_000592 CC1(C)C2(Cl)C(Cl)C1(Cl)C(Cl)(C(Cl)Cl)C(Cl)C2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N15 compound treatment 0.355 -0.00116 -0.04 0.384 0.0278 1.12 0.7612 0.6789 3172856 SpecPlus_000593 O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4C(C32)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N16 compound treatment 0.345 -0.0112 -0.42 0.336 -0.0202 -0.81 -0.8752 -0.9538 2540 SpecPlus_000594 ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N17 compound treatment 0.344 -0.0122 -0.46 0.34 -0.0162 -0.65 -0.7881 -0.9857 2060351 SpecPlus_000595 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@H](CC[C@]5(C)C4=CC(=O)[C@]23C)OC(=O)C)OC61OCC(C)CC6Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N18 compound treatment 0.388 0.0318 1.21 0.395 0.0388 1.56 1.9614 0.992 2060352 SpecPlus_000596 O=C(O[C@H]1Cc2c(OC(=O)c3ccccc3)cc(OC(=O)c4ccccc4)cc2O[C@@H]1c5ccc(OC(=O)c6ccccc6)c(OC(=O)c7ccccc7)c5)c8ccccc8 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N19 compound treatment 0.358 0.00184 0.07 0.344 -0.0122 -0.49 -0.2979 -0.6002 3055370 SpecPlus_000597 COC(=O)c1c(C)c2Oc3c(Cl)c(OC(=O)C)c(Cl)c(C)c3C(=O)Oc2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N20 compound treatment 0.359 0.00284 0.11 0.351 -0.00519 -0.21 -0.0716 -0.3039 2060353 SpecPlus_000598 Cc1c(O)cc(O)c2c(=O)c(coc12)c3ccc(O)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N21 compound treatment 0.346 -0.0102 -0.39 0.344 -0.0122 -0.49 -0.6204 -0.9929 2060354 SpecPlus_000599 COc1ccc(cc1)c2coc3cc(OC(=O)C)cc(OC(=O)C)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N22 compound treatment 0.355 -0.00116 -0.04 0.351 -0.00519 -0.21 -0.1791 -0.8373 2541 SpecPlus_000600 ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N23 positive control 0.087 -0.269 -10.23 0.077 -0.279 -11.25 -15.1878 -0.9989 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 N24 positive control 0.088 -0.268 -10.19 0.078 -0.278 -11.21 -15.1324 -0.9989 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O01 mock treatment 0.332 -0.0242 -0.92 0.357 8.06E-4 0.03 -0.6261 -0.6816 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O02 mock treatment 0.326 -0.0302 -1.15 0.327 -0.0292 -1.18 -1.6422 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O03 compound treatment 0.439 0.0828 3.15 0.449 0.0928 3.74 4.8705 0.9963 2060355 SpecPlus_000601 CC1=C(C=C)/C(=C/c2[nH]c(Cc3[nH]c(\C=C\4/NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)/NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O04 compound treatment 0.445 0.0888 3.38 0.443 0.0868 3.5 4.8608 0.9998 829 SpecPlus_000602 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O05 compound treatment 0.322 -0.0342 -1.3 0.321 -0.0352 -1.42 -1.9206 -0.999 1055132 SpecPlus_000603 COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O06 compound treatment 0.341 -0.0152 -0.58 0.339 -0.0172 -0.69 -0.8972 -0.9958 1054504 SpecPlus_000604 COc1c(OCC(O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O07 compound treatment 0.387 0.0308 1.17 0.405 0.0488 1.97 2.2195 0.9694 2060356 SpecPlus_000605 CC(C)CCCC1(C)Oc2c(CCC(C)C)c3OC4(C5CC6CC4C(=O)c3c(O)c2C=C1)C(CCC(C)C(=O)O)(OC5(C)C)C6O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O08 compound treatment 0.342 -0.0142 -0.54 0.341 -0.0152 -0.61 -0.8133 -0.9979 3055414 SpecPlus_000606 OC[C@@H]1CCCN2CCCC[C@H]12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O09 compound treatment 0.337 -0.0192 -0.73 0.35 -0.00619 -0.25 -0.6912 -0.8982 2060357 SpecPlus_000607 CC(=O)O[C@@H]1CC2C(C)(C)CCC(=O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O10 compound treatment 0.336 -0.0202 -0.77 0.321 -0.0352 -1.42 -1.5444 -0.9582 1024517 SpecPlus_000608 COc1cc2CCNC(C)c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O11 compound treatment 0.351 -0.00516 -0.2 0.356 -1.94E-4 -0.01 -0.1441 -0.7347 1035065 SpecPlus_000609 Cc1nccc2c3ccccc3[nH]c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O12 compound treatment 0.362 0.00584 0.22 0.359 0.00281 0.11 0.237 0.951 1592184 SpecPlus_000610 O=C1CCCC2C3CC(CN21)[C@@H]4CCCCN4C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O13 compound treatment 0.338 -0.0182 -0.69 0.368 0.0118 0.48 -0.1515 -0.1807 297849 SpecPlus_000611 COc1ccc2c(c1)[nH]c3c(C)nccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O14 compound treatment 0.368 0.0118 0.45 0.354 -0.00219 -0.09 0.2557 0.5576 2060358 SpecPlus_000612 C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]31CC[C@@](CO)(CCO)O3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O15 compound treatment 0.35 -0.00616 -0.23 0.336 -0.0202 -0.81 -0.7408 -0.875 2060359 SpecPlus_000613 COc1ccc(cc1)c2c(O)c3c(OC)c4C=CC(C)(C)Oc4cc3oc2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O16 compound treatment 0.344 -0.0122 -0.46 0.375 0.0188 0.76 0.2092 0.2357 1052338 SpecPlus_000614 COc1cc2C(C)NCCc2cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O17 compound treatment 0.372 0.0158 0.6 0.374 0.0178 0.72 0.9331 0.9962 2060360 SpecPlus_000615 C1CN=C(C1)c2cccnc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O18 compound treatment 0.377 0.0208 0.79 0.341 -0.0152 -0.61 0.1272 0.127 852250 SpecPlus_000616 C1CCC(NC1)c2cccnc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O19 compound treatment 0.348 -0.00816 -0.31 0.37 0.0138 0.56 0.1742 0.2736 1040989 SpecPlus_000617 c1ccc2c(c1)[nH]c3ncccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O20 compound treatment 0.377 0.0208 0.79 0.371 0.0148 0.6 0.982 0.9902 3172862 SpecPlus_000618 O=c1cccc2C3CNC[C@@H](C3)Cn21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O21 compound treatment 0.423 0.0668 2.54 0.411 0.0548 2.21 3.3578 0.9976 1084508 SpecPlus_000619 COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O22 compound treatment 0.387 0.0308 1.17 0.384 0.0278 1.12 1.6211 0.9997 2060361 SpecPlus_000620 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]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)(CO)C5CC[C@]43C)C2CC1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O23 positive control 0.095 -0.261 -9.92 0.081 -0.275 -11.09 -14.8589 -0.9985 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 O24 positive control 0.098 -0.258 -9.81 0.082 -0.274 -11.05 -14.7498 -0.9982 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P01 mock treatment 0.349 -0.00716 -0.27 0.348 -0.00819 -0.33 -0.4258 -0.9954 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P02 mock treatment 0.338 -0.0182 -0.69 0.336 -0.0202 -0.81 -1.0633 -0.9966 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P03 compound treatment 0.339 -0.0172 -0.65 0.332 -0.0242 -0.97 -1.1504 -0.9809 2060362 SpecPlus_000621 COc1ccc(cc1)c2c(OC)c3c(OC)c4C=CC(C)(C)Oc4cc3oc2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P04 compound treatment 0.345 -0.0112 -0.42 0.355 -0.00119 -0.05 -0.3338 -0.7823 2542 SpecPlus_000622 CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P05 compound treatment 0.348 -0.00816 -0.31 0.356 -1.94E-4 -0.01 -0.2247 -0.7247 2060363 SpecPlus_000623 COc1cc(O)cc(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P06 compound treatment 0.357 8.44E-4 0.03 0.358 0.00181 0.07 0.0741 0.9321 2543 SpecPlus_000624 CCCCCCCCCc1ccc(O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P07 compound treatment 0.394 0.0378 1.44 0.393 0.0368 1.48 2.0657 0.9999 2060364 SpecPlus_000625 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P08 compound treatment 0.356 -1.56E-4 -0.01 0.351 -0.00519 -0.21 -0.1522 -0.7269 2544 SpecPlus_000626 CCOCN(C(=O)CCl)c1c(C)cccc1CC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P09 compound treatment 0.37 0.0138 0.53 0.367 0.0108 0.44 0.6799 0.9956 3172979 SpecPlus_000627 C[C@H]1C2C(CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P10 compound treatment 0.346 -0.0102 -0.39 0.366 0.00981 0.4 0.0065 0.0118 2545 SpecPlus_000628 CCCCOC(=O)c1ccccc1C(=O)OCCCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P11 compound treatment 0.394 0.0378 1.44 0.387 0.0308 1.24 1.8947 0.9973 2060365 SpecPlus_000629 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C3OC3[C@]2(C)C4CC[C@@]5(C)[C@@H](OC(=O)C6OC65[C@]14C)c7ccoc7 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P12 compound treatment 0.395 0.0388 1.48 0.404 0.0478 1.93 2.406 0.9914 1304 SpecPlus_000630 ClC1=C(Cl)C2(Cl)C3C4CC(C5OC54)C3C1(Cl)C2(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P13 compound treatment 0.396 0.0398 1.51 0.387 0.0308 1.24 1.9484 0.9951 2060366 SpecPlus_000631 CC1(C)C=CC(=O)[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P14 compound treatment 0.375 0.0188 0.72 0.379 0.0228 0.92 1.1562 0.9924 2060367 SpecPlus_000632 CS(=O)(=O)CCCCN=C=S 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P15 compound treatment 0.372 0.0158 0.6 0.381 0.0248 1.0 1.1326 0.9706 2060368 SpecPlus_000633 CNC(Cc1c[nH]c2ccccc12)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P16 compound treatment 0.381 0.0248 0.94 0.379 0.0228 0.92 1.3174 0.9999 2060369 SpecPlus_000634 C[C@@]12CCC(=O)C[C@H]2CC[C@]3(CC4CC[C@H]31)C[C@]4(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P17 compound treatment 0.387 0.0308 1.17 0.381 0.0248 1.0 1.5356 0.9969 2060370 SpecPlus_000635 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5c(OC)cc4c3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P18 compound treatment 0.385 0.0288 1.1 0.391 0.0348 1.4 1.7668 0.9926 2060371 SpecPlus_000636 COC(=O)C[C@H]1C(C)(C)C2(O)OC34CC2C(=O)[C@]1(C)C4CC[C@@]5(C)[C@@H](OC(=O)C=C35)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P19 compound treatment 0.398 0.0418 1.59 0.388 0.0318 1.28 2.0307 0.9943 2060372 SpecPlus_000637 COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C(CC[C@@]4(C)[C@@H](OC(=O)C=C34)c5ccoc5)[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P20 compound treatment 0.393 0.0368 1.4 0.396 0.0398 1.6 2.1243 0.9977 2060373 SpecPlus_000638 COc1c(O)cc2c(cc(=O)oc2c1OC)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P21 compound treatment 0.395 0.0388 1.48 0.389 0.0328 1.32 1.9786 0.9985 2060374 SpecPlus_000639 CCC(C)C(OC(=O)C)C(=O)O[C@H]1[C@H](O)C2[C@@]3(C)C=CC(=O)C(C)(C)C3C[C@@H](OC(=O)C(O)C(C)C)[C@@]2(C)[C@]45O[C@@H]5C[C@@H](c6ccoc6)[C@]14C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P22 compound treatment 0.351 -0.00516 -0.2 0.346 -0.0102 -0.41 -0.429 -0.9427 3055472 SpecPlus_000640 CC(C)CCCC(C)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P23 positive control 0.099 -0.257 -9.77 0.083 -0.273 -11.01 -14.6944 -0.9982 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1082 P24 positive control 0.095 -0.261 -9.92 0.08 -0.276 -11.13 -14.8874 -0.9984 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A01 mock treatment 0.376 0.0209 0.8 0.379 0.0195 0.78 1.1174 1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A02 mock treatment 0.363 0.00794 0.3 0.361 0.00147 0.06 0.2551 0.83 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A03 compound treatment 0.361 0.00594 0.23 0.341 -0.0185 -0.75 -0.3685 -0.4724 1492782 SpecPlus_000641 OCNC(=O)c1cccnc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A04 compound treatment 0.373 0.0179 0.68 0.378 0.0185 0.74 1.0082 0.999 2060375 SpecPlus_000642 CC(=O)O[C@H]1C[C@@H](O)C(C)(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)[C@@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A05 compound treatment 0.367 0.0119 0.45 0.365 0.00547 0.22 0.4766 0.945 2060376 SpecPlus_000643 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(=O)C)c3C(=O)c12)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A06 compound treatment 0.364 0.00894 0.34 0.359 -5.31E-4 -0.02 0.225 0.6612 3055475 SpecPlus_000644 COc1ccc(/C=C/C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A07 compound treatment 0.373 0.0179 0.68 0.36 4.69E-4 0.02 0.4954 0.7264 1009851 SpecPlus_000645 O=C1c2ccccc2C(=O)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A08 compound treatment 0.347 -0.00806 -0.31 0.358 -0.00153 -0.06 -0.2603 -0.8328 1047043 SpecPlus_000646 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A09 compound treatment 0.358 0.00294 0.11 0.365 0.00547 0.22 0.2348 0.9503 1693 SpecPlus_000647 NCCCNCCSP(=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A10 compound treatment 0.366 0.0109 0.42 0.36 4.69E-4 0.02 0.3073 0.7385 2060377 SpecPlus_000648 COc1c(ccc2OC(C)(C)CCc12)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A11 compound treatment 0.398 0.0429 1.63 0.402 0.0425 1.71 2.3639 0.9997 3172984 SpecPlus_000649 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A12 compound treatment 0.364 0.00894 0.34 0.348 -0.0115 -0.46 -0.0884 -0.1536 2060378 SpecPlus_000650 Oc1nc2cc(Cl)c(Cl)cc2nc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A13 compound treatment 0.382 0.0269 1.02 0.359 -5.31E-4 -0.02 0.7087 0.6922 2060379 SpecPlus_000651 COc1ccc(cc1)c2coc3c(OC)c(OC)ccc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A14 compound treatment 0.367 0.0119 0.45 0.372 0.0125 0.5 0.6761 0.9987 2060380 SpecPlus_000652 CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A15 compound treatment 0.365 0.00994 0.38 0.356 -0.00353 -0.14 0.1664 0.4124 1111718 SpecPlus_000653 NC1(CCC1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A16 compound treatment 0.37 0.0149 0.57 0.368 0.00847 0.34 0.6427 0.9704 1001282 SpecPlus_000654 NCCS 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A17 compound treatment 0.364 0.00894 0.34 0.353 -0.00653 -0.26 0.0541 0.1258 2060381 SpecPlus_000655 COc1c(Cl)c(C)c2Oc3c(Cl)c(OC)c(Cl)c(C)c3C(=O)Oc2c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A18 compound treatment 0.367 0.0119 0.45 0.354 -0.00553 -0.22 0.1632 0.3228 1001451 SpecPlus_000656 Cc1cc(C)cc(OCC2CNC(=O)O2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A19 compound treatment 0.372 0.0169 0.64 0.365 0.00547 0.22 0.611 0.898 2060382 SpecPlus_000657 C/C/1=C\CC(C)(C)\C=C\CC2(C)OC2CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A20 compound treatment 0.377 0.0219 0.83 0.377 0.0175 0.7 1.0872 0.9965 2060383 SpecPlus_000658 COc1cc(cc(OC)c1OC)c2oc3cc(O)ccc3c(=O)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A21 compound treatment 0.383 0.0279 1.06 0.385 0.0255 1.03 1.4764 0.9999 2060384 SpecPlus_000659 CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A22 compound treatment 0.367 0.0119 0.45 0.356 -0.00353 -0.14 0.2202 0.4631 2060385 SpecPlus_000660 COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)C(C)C)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A23 positive control 0.074 -0.281 -10.68 0.079 -0.281 -11.3 -15.5459 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 A24 positive control 0.075 -0.28 -10.64 0.102 -0.258 -10.38 -14.8636 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B01 mock treatment 0.376 0.0209 0.8 0.371 0.0115 0.46 0.8894 0.9666 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B02 mock treatment 0.373 0.0179 0.68 0.353 -0.00653 -0.26 0.2959 0.405 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B03 compound treatment 0.37 0.0149 0.57 0.351 -0.00853 -0.34 0.1583 0.2385 193 SpecPlus_000661 COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B04 compound treatment 0.361 0.00594 0.23 0.359 -5.31E-4 -0.02 0.1444 0.6372 2308 SpecPlus_000662 Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B05 compound treatment 0.356 9.37E-4 0.04 0.347 -0.0125 -0.5 -0.3319 -0.6556 907463 SpecPlus_000663 Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B06 compound treatment 0.352 -0.00306 -0.12 0.349 -0.0105 -0.42 -0.3824 -0.8689 1002022 SpecPlus_000664 NC(CCC(=O)O)C=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B07 compound treatment 0.37 0.0149 0.57 0.357 -0.00253 -0.1 0.3293 0.5709 2060386 SpecPlus_000665 CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C2[C@H](O)[C@]5(OCO[C@]65C[C@H](OC)[C@H]7C[C@]4(O)C6[C@H]7O)C13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B08 compound treatment 0.371 0.0159 0.61 0.36 4.69E-4 0.02 0.4416 0.7288 790507 SpecPlus_000666 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B09 compound treatment 0.367 0.0119 0.45 0.359 -5.31E-4 -0.02 0.3056 0.673 4480 SpecPlus_000667 CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B10 compound treatment 0.367 0.0119 0.45 0.355 -0.00453 -0.18 0.1917 0.3919 2060387 SpecPlus_000668 OC(=O)CCCCCCCn1ccnc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B11 compound treatment 0.366 0.0109 0.42 0.354 -0.00553 -0.22 0.1363 0.289 1837 SpecPlus_000669 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B12 compound treatment 0.367 0.0119 0.45 0.357 -0.00253 -0.1 0.2486 0.5348 1044852 SpecPlus_000670 OC(=O)c1cc2cc(Cl)ccc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B13 compound treatment 0.378 0.0229 0.87 0.366 0.00647 0.26 0.8007 0.8801 2060388 SpecPlus_000671 CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(C)c(OC(=O)C)c(OC(=O)C)cc5[C@]4(C)CC[C@@]3(C)C2C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B14 compound treatment 0.326 -0.0291 -1.1 0.323 -0.0365 -1.47 -1.8219 -0.99 2060389 SpecPlus_000672 OC(=O)Cc1c[nH]cn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B15 compound treatment 0.363 0.00794 0.3 0.347 -0.0125 -0.5 -0.1438 -0.2444 2060390 SpecPlus_000673 CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)C(OC(=O)C=C43)c5ccoc5)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B16 compound treatment 0.357 0.00194 0.07 0.342 -0.0175 -0.71 -0.4475 -0.63 2060391 SpecPlus_000674 OC1/C(=C/C(=O)O)/CCCc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B17 compound treatment 0.369 0.0139 0.53 0.355 -0.00453 -0.18 0.2454 0.438 3173106 SpecPlus_000675 COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c(C)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B18 compound treatment 0.37 0.0149 0.57 0.351 -0.00853 -0.34 0.1583 0.2385 1014792 SpecPlus_000676 OC(=O)c1cc2ccccc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B19 compound treatment 0.347 -0.00806 -0.31 0.339 -0.0205 -0.83 -0.8017 -0.9087 2060392 SpecPlus_000677 CCOc1ccc(cc1)C(=O)c2ccc(O)c(O)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B20 compound treatment 0.366 0.0109 0.42 0.355 -0.00453 -0.18 0.1648 0.363 348755 SpecPlus_000678 OC(=O)c1cc2cc(F)ccc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B21 compound treatment 0.378 0.0229 0.87 0.375 0.0155 0.62 1.0571 0.9865 2060393 SpecPlus_000679 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(\C)/C=C/C2=C(C)C(=O)CCC2(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B22 compound treatment 0.362 0.00694 0.26 0.357 -0.00253 -0.1 0.1143 0.4043 3173108 SpecPlus_000680 CC[C@H]([C@@H]1O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)C5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@H]1C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B23 positive control 0.073 -0.282 -10.72 0.075 -0.285 -11.47 -15.6867 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 B24 positive control 0.073 -0.282 -10.72 0.076 -0.284 -11.43 -15.6582 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C01 mock treatment 0.377 0.0219 0.83 0.377 0.0175 0.7 1.0872 0.9965 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C02 mock treatment 0.36 0.00494 0.19 0.35 -0.00953 -0.38 -0.1389 -0.325 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C03 compound treatment 0.359 0.00394 0.15 0.35 -0.00953 -0.38 -0.1658 -0.4022 3055569 SpecPlus_000681 OCc1cccnc1.OC(C(O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C04 compound treatment 0.376 0.0209 0.8 0.354 -0.00553 -0.22 0.405 0.4902 2060394 SpecPlus_000682 CC12C[C@@H](O)C3C(CCC4CC(O)CCC43C)C2=CCC1C5=CC(=O)OC5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C05 compound treatment 0.355 -6.25E-5 0.0 0.338 -0.0215 -0.87 -0.6152 -0.709 3202 SpecPlus_000683 COc1ccccc1N2CCN(CCCNc3cc(=O)n(C)c(=O)n3C)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C06 compound treatment 0.35 -0.00506 -0.19 0.35 -0.00953 -0.38 -0.4076 -0.9489 2576 SpecPlus_000684 S=C=NCc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C07 compound treatment 0.37 0.0149 0.57 0.362 0.00247 0.1 0.4717 0.8186 3055573 SpecPlus_000685 OC[C@H]1OC([C@H](O)[C@@H]1O)n2cnc3c(=O)[nH]cnc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C08 compound treatment 0.381 0.0259 0.99 0.377 0.0175 0.7 1.1947 0.9864 1000656 SpecPlus_000686 OC1=C([C@H]2CC[C@@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C09 compound treatment 0.352 -0.00306 -0.12 0.357 -0.00253 -0.1 -0.1544 -0.9978 2060395 SpecPlus_000687 CC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C10 compound treatment 0.371 0.0159 0.61 0.363 0.00347 0.14 0.5271 0.848 2060396 SpecPlus_000688 OC[C@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C11 compound treatment 0.382 0.0269 1.02 0.374 0.0145 0.58 1.1361 0.9644 2060397 SpecPlus_000689 COc1ccc2C(=O)/C(=C/c3ccc(OC)c(O)c3)/COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C12 compound treatment 0.369 0.0139 0.53 0.36 4.69E-4 0.02 0.3879 0.7319 2060398 SpecPlus_000690 COC1=C(Cl)C(=O)C2(Oc3cc(O)c(Cl)c(C)c3C2=O)C(=C1Cl)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C13 compound treatment 0.379 0.0239 0.91 0.35 -0.00953 -0.38 0.3716 0.3764 2060399 SpecPlus_000691 CC(C)CCCC(C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C14 compound treatment 0.349 -0.00606 -0.23 0.351 -0.00853 -0.34 -0.406 -0.981 1898 SpecPlus_000692 OC(=O)CC[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C15 compound treatment 0.332 -0.0231 -0.88 0.353 -0.00653 -0.26 -0.8058 -0.8806 2060400 SpecPlus_000693 CC(C)c1ccc2c(CCC3[C@](C)(CN)CCC[C@@]32C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C16 compound treatment 0.372 0.0169 0.64 0.362 0.00247 0.1 0.5255 0.8068 1087705 SpecPlus_000694 CCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C17 compound treatment 0.369 0.0139 0.53 0.364 0.00447 0.18 0.5018 0.8971 2060401 SpecPlus_000695 CO[C@@H]1C[C@H]2N3C[C@@H](O)C2(C=C1)c4cc5OCOc5cc4[C@@H]3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C18 compound treatment 0.376 0.0209 0.8 0.365 0.00547 0.22 0.7184 0.8702 1000009 SpecPlus_000696 C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C19 compound treatment 0.356 9.37E-4 0.04 0.355 -0.00453 -0.18 -0.1039 -0.5586 2060402 SpecPlus_000697 COc1ccc2CC[C@H]3CC(=O)CC[C@]3(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C20 compound treatment 0.365 0.00994 0.38 0.358 -0.00153 -0.06 0.2234 0.5838 1552436 SpecPlus_000698 COc1ccc(cc1)c2cc(=O)c3cc(OC)ccc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C21 compound treatment 0.361 0.00594 0.23 0.353 -0.00653 -0.26 -0.0266 -0.0766 2060403 SpecPlus_000699 COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C22 compound treatment 0.382 0.0269 1.02 0.371 0.0115 0.46 1.0506 0.9354 2060404 SpecPlus_000700 CC1=C(Cl)C(=O)C(=C(O)C21Oc3cc(O)c(Cl)c(C)c3C2=O)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C23 positive control 0.073 -0.282 -10.72 0.074 -0.286 -11.51 -15.7152 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 C24 positive control 0.076 -0.279 -10.6 0.077 -0.283 -11.39 -15.5491 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D01 mock treatment 0.382 0.0269 1.02 0.378 0.0185 0.74 1.2501 0.9877 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D02 mock treatment 0.36 0.00494 0.19 0.358 -0.00153 -0.06 0.089 0.4508 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D03 compound treatment 0.361 0.00594 0.23 0.351 -0.00853 -0.34 -0.0835 -0.2032 2060405 SpecPlus_000701 CC1(C)[C@H](CC(=O)O)[C@@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]3(O)C[C@@H](C1=O)C2=O)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D04 compound treatment 0.356 9.37E-4 0.04 0.359 -5.31E-4 -0.02 0.0101 0.2419 2272 SpecPlus_000702 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc(O)c(O)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D05 compound treatment 0.349 -0.00606 -0.23 0.343 -0.0165 -0.67 -0.6339 -0.8994 2060406 SpecPlus_000703 COc1ccccc1/C=C\C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D06 compound treatment 0.359 0.00394 0.15 0.349 -0.0105 -0.42 -0.1943 -0.4317 832189 SpecPlus_000704 CC(=O)CC(=O)CCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D07 compound treatment 0.369 0.0139 0.53 0.357 -0.00253 -0.1 0.3024 0.5606 2060407 SpecPlus_000705 COc1ccc(/C=C/C(=O)O)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D08 compound treatment 0.368 0.0129 0.49 0.358 -0.00153 -0.06 0.304 0.6135 2553 SpecPlus_000706 CNNC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D09 compound treatment 0.368 0.0129 0.49 0.346 -0.0135 -0.55 -0.0379 -0.0516 1014978 SpecPlus_000707 OCC(O)C(O)C(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D10 compound treatment 0.364 0.00894 0.34 0.349 -0.0105 -0.42 -0.0599 -0.1102 2575 SpecPlus_000708 CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D11 compound treatment 0.373 0.0179 0.68 0.355 -0.00453 -0.18 0.3529 0.5001 3173115 SpecPlus_000709 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@]61CCC(C)CN6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D12 compound treatment 0.355 -6.25E-5 0.0 0.363 0.00347 0.14 0.0972 0.695 1923 SpecPlus_000710 NC1(CC1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D13 compound treatment 0.386 0.0309 1.18 0.366 0.00647 0.26 1.0156 0.8434 2060408 SpecPlus_000711 COC(=O)C[C@H]1C(C)(C)[C@H](C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D14 compound treatment 0.348 -0.00706 -0.27 0.37 0.0105 0.42 0.1085 0.217 383 SpecPlus_000712 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D15 compound treatment 0.361 0.00594 0.23 0.349 -0.0105 -0.42 -0.1405 -0.2924 1015281 SpecPlus_000713 COc1cc(O)c(C(=O)C)c(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D16 compound treatment 0.369 0.0139 0.53 0.358 -0.00153 -0.06 0.3309 0.6205 2060409 SpecPlus_000714 N[C@@H](CCCNC(=N)NC(CCC(=O)O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D17 compound treatment 0.369 0.0139 0.53 0.365 0.00547 0.22 0.5303 0.9245 2060410 SpecPlus_000715 CC1(C)[C@H](O)CC(=O)[C@@]2(C)C1C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D18 compound treatment 0.362 0.00694 0.26 0.373 0.0135 0.54 0.5702 0.945 115 SpecPlus_000716 COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D19 compound treatment 0.364 0.00894 0.34 0.348 -0.0115 -0.46 -0.0884 -0.1536 2060411 SpecPlus_000717 O[C@H]1Cc2ccc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D20 compound treatment 0.373 0.0179 0.68 0.357 -0.00253 -0.1 0.4099 0.5947 397 SpecPlus_000718 CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D21 compound treatment 0.362 0.00694 0.26 0.358 -0.00153 -0.06 0.1428 0.5274 2060412 SpecPlus_000719 C[C@]12[C@H](CC[C@]2(O)[C@@]34OC4C[C@@H]5C[C@@H](O)CC[C@]5(C)C3[C@H](O)C1=O)C6=CC(=O)OC6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D22 compound treatment 0.369 0.0139 0.53 0.355 -0.00453 -0.18 0.2454 0.438 873168 SpecPlus_000720 OC(=O)c1cc(O)c2ccc(Cl)cc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D23 positive control 0.073 -0.282 -10.72 0.074 -0.286 -11.51 -15.7152 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 D24 positive control 0.077 -0.278 -10.57 0.077 -0.283 -11.39 -15.5222 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E01 mock treatment 0.339 -0.0161 -0.61 0.364 0.00447 0.18 -0.3043 -0.4781 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E02 mock treatment 0.349 -0.00606 -0.23 0.365 0.00547 0.22 -0.0071 -0.0222 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E03 compound treatment 0.358 0.00294 0.11 0.358 -0.00153 -0.06 0.0353 0.2768 2060413 SpecPlus_000721 CC(C)CCCC(C)[C@H]1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E04 compound treatment 0.41 0.0549 2.09 0.391 0.0315 1.27 2.3729 0.9714 1091368 SpecPlus_000722 CNc1ccccc1C(=O)N2CCc3c([nH]c4ccccc34)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E05 compound treatment 0.35 -0.00506 -0.19 0.345 -0.0145 -0.59 -0.5501 -0.8925 1095093 SpecPlus_000723 CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E06 compound treatment 0.354 -0.00106 -0.04 0.352 -0.00753 -0.3 -0.2431 -0.7942 1032994 SpecPlus_000724 O=C1CC(Oc2ccccc12)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E07 compound treatment 0.368 0.0129 0.49 0.366 0.00647 0.26 0.532 0.956 2060414 SpecPlus_000725 OC(=O)c1nc2cc(Cl)c(Cl)cc2nc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E08 compound treatment 0.374 0.0189 0.72 0.387 0.0275 1.11 1.2916 0.9783 2060415 SpecPlus_000726 COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C4C=CO[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E09 compound treatment 0.36 0.00494 0.19 0.326 -0.0335 -1.35 -0.8228 -0.6031 225 SpecPlus_000727 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E10 compound treatment 0.364 0.00894 0.34 0.362 0.00247 0.1 0.3105 0.8774 2060416 SpecPlus_000728 Sc1nc2ccccc2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E11 compound treatment 0.35 -0.00506 -0.19 0.372 0.0125 0.5 0.2193 0.4075 3054809 SpecPlus_000729 COc1ccc2C(=O)C(Cc3ccc(OC)c(OC(=O)C)c3)COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E12 compound treatment 0.378 0.0229 0.87 0.363 0.00347 0.14 0.7152 0.8101 2060417 SpecPlus_000730 CC(=C)C1Cc2c(O1)ccc(C(=O)O)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E13 compound treatment 0.362 0.00694 0.26 0.366 0.00647 0.26 0.3707 1.0 2060418 SpecPlus_000731 COc1ccccc1c2cc(=O)c3cccc(OC)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E14 compound treatment 0.368 0.0129 0.49 0.35 -0.00953 -0.38 0.0761 0.1219 2060419 SpecPlus_000732 COc1cc(OC)c2C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c4cc(OC)c(OC)c(OC)c4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E15 compound treatment 0.366 0.0109 0.42 0.347 -0.0125 -0.5 -0.0632 -0.0966 3173232 SpecPlus_000733 CO/N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OC(C)OC(=O)C)COC(=O)N)\c3ccco3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E16 compound treatment 0.366 0.0109 0.42 0.373 0.0135 0.54 0.6777 0.9913 2060420 SpecPlus_000734 CC(=O)O[C@@H]1CC2C(C)(C)[C@@H](O)CCC2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4C13C)c5ccoc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E17 compound treatment 0.368 0.0129 0.49 0.369 0.00947 0.38 0.6174 0.9921 2060421 SpecPlus_000735 C[C@](O)(CCC1C(=C)C[C@H](O)C2C(C)(C)CCCC12C)C=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E18 compound treatment 0.358 0.00294 0.11 0.352 -0.00753 -0.3 -0.1357 -0.4195 3856 SpecPlus_000736 CNC1(C)C2CCC(C2)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E19 compound treatment 0.37 0.0149 0.57 0.361 0.00147 0.06 0.4432 0.7766 3173234 SpecPlus_000737 Cn1c(=O)[nH]c(=O)c2nc[nH]c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E20 compound treatment 0.405 0.0499 1.9 0.398 0.0385 1.55 2.438 0.995 1084508 SpecPlus_000738 COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E21 compound treatment 0.379 0.0239 0.91 0.376 0.0165 0.66 1.1125 0.988 2060422 SpecPlus_000739 CCOc1ccc(cc1)C(=O)c2cc(O)c(OC)c(OC)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E22 compound treatment 0.371 0.0159 0.61 0.346 -0.0135 -0.55 0.0427 0.0524 2060423 SpecPlus_000740 COC1=C(Cl)C(=O)C2(Oc3cc(OC)c(Cl)c(C)c3C2=O)C(=C1Cl)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E23 positive control 0.074 -0.281 -10.68 0.075 -0.285 -11.47 -15.6598 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 E24 positive control 0.079 -0.276 -10.49 0.077 -0.283 -11.39 -15.4685 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F01 mock treatment 0.387 0.0319 1.21 0.385 0.0255 1.03 1.5839 0.9965 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F02 mock treatment 0.362 0.00694 0.26 0.35 -0.00953 -0.38 -0.0852 -0.1828 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F03 compound treatment 0.362 0.00694 0.26 0.349 -0.0105 -0.42 -0.1137 -0.2275 2060424 SpecPlus_000741 C[C@@]12CC[C@@H](O)C[C@H]2CCc3ccccc31 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F04 compound treatment 0.36 0.00494 0.19 0.357 -0.00253 -0.1 0.0605 0.2835 117 SpecPlus_000742 CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F05 compound treatment 0.366 0.0109 0.42 0.358 -0.00153 -0.06 0.2503 0.5956 2060425 SpecPlus_000743 COC(=O)[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C[C@@H](OC(=O)C)[C@]43C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F06 compound treatment 0.363 0.00794 0.3 0.356 -0.00353 -0.14 0.1127 0.3378 1211 SpecPlus_000744 CON 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F07 compound treatment 0.37 0.0149 0.57 0.361 0.00147 0.06 0.4432 0.7766 1045087 SpecPlus_000745 Cc1coc2ccccc2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F08 compound treatment 0.367 0.0119 0.45 0.363 0.00347 0.14 0.4196 0.884 765 SpecPlus_000746 Oc1ccnc(S)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F09 compound treatment 0.36 0.00494 0.19 0.356 -0.00353 -0.14 0.0321 0.1361 2060426 SpecPlus_000747 COc1c(O)cccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F10 compound treatment 0.397 0.0419 1.59 0.386 0.0265 1.07 1.8811 0.9809 2546 SpecPlus_000748 COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F11 compound treatment 0.357 0.00194 0.07 0.363 0.00347 0.14 0.1509 0.9552 2060427 SpecPlus_000749 CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C)C4CC[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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F12 compound treatment 0.359 0.00394 0.15 0.346 -0.0135 -0.55 -0.2798 -0.4948 1537011 SpecPlus_000750 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F13 compound treatment 0.373 0.0179 0.68 0.356 -0.00353 -0.14 0.3814 0.5477 2060428 SpecPlus_000751 CCOC(=O)C(=O)C1(Oc2cc(OC)cc(OC)c2C(=O)C1c3ccccc3)C(=O)OCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F14 compound treatment 0.357 0.00194 0.07 0.36 4.69E-4 0.02 0.0654 0.8606 2777 SpecPlus_000752 COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F15 compound treatment 0.365 0.00994 0.38 0.365 0.00547 0.22 0.4229 0.9671 2060429 SpecPlus_000753 COC1CC(O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)C(CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)OC(C)C1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F16 compound treatment 0.376 0.0209 0.8 0.367 0.00747 0.3 0.7754 0.9115 3173238 SpecPlus_000754 C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)C(CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F17 compound treatment 0.364 0.00894 0.34 0.358 -0.00153 -0.06 0.1965 0.5693 1111461 SpecPlus_000755 CC(=CCOc1c2occc2cc3ccc(=O)oc13)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F18 compound treatment 0.395 0.0399 1.52 0.39 0.0305 1.23 1.9413 0.9945 907149 SpecPlus_000756 CN(C)c1nc(N)c(nc1Cl)C(=O)NC(=N)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F19 compound treatment 0.35 -0.00506 -0.19 0.335 -0.0245 -0.99 -0.835 -0.8292 2060430 SpecPlus_000757 O[C@@H]1O[C@H](COC(=O)CC[N+](=O)[O-])[C@H](OC(=O)CC[N+](=O)[O-])[C@H](OC(=O)CC[N+](=O)[O-])[C@@H]1OC(=O)CC[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F20 compound treatment 0.385 0.0299 1.14 0.376 0.0165 0.66 1.2737 0.9671 1950 SpecPlus_000758 Oc1cc2oc(cc(=O)c2c(O)c1O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F21 compound treatment 0.363 0.00794 0.3 0.354 -0.00553 -0.22 0.0557 0.1485 3173239 SpecPlus_000759 CC(N/C(=N/C#N)/Nc1ccncc1)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F22 compound treatment 0.364 0.00894 0.34 0.358 -0.00153 -0.06 0.1965 0.5693 89599 SpecPlus_000760 OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F23 positive control 0.074 -0.281 -10.68 0.074 -0.286 -11.51 -15.6883 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 F24 positive control 0.08 -0.275 -10.45 0.082 -0.278 -11.18 -15.2991 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G01 mock treatment 0.383 0.0279 1.06 0.385 0.0255 1.03 1.4764 0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G02 mock treatment 0.356 9.37E-4 0.04 0.356 -0.00353 -0.14 -0.0754 -0.5142 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G03 compound treatment 0.367 0.0119 0.45 0.362 0.00247 0.1 0.3911 0.8422 2060431 SpecPlus_000761 COc1cc2OCOc2cc1c3coc4c5CCC(C)(C)Oc5ccc4c3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G04 compound treatment 0.516 0.161 6.12 0.505 0.145 5.86 8.4695 0.9998 831758 SpecPlus_000762 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G05 compound treatment 0.377 0.0219 0.83 0.38 0.0205 0.82 1.1727 1.0 2060432 SpecPlus_000763 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)cc5cc4Cn3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G06 compound treatment 0.351 -0.00406 -0.15 0.348 -0.0115 -0.46 -0.4377 -0.894 1001204 SpecPlus_000764 COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G07 compound treatment 0.379 0.0239 0.91 0.367 0.00747 0.3 0.856 0.8934 3173241 SpecPlus_000765 C[C@@]12CCC3C(CC[C@H]4C[C@@H](CC[C@@]43C)OS(=O)(=O)O)C2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G08 compound treatment 0.384 0.0289 1.1 0.373 0.0135 0.54 1.1614 0.947 2060433 SpecPlus_000766 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G09 compound treatment 0.359 0.00394 0.15 0.358 -0.00153 -0.06 0.0622 0.3841 3173242 SpecPlus_000767 Nc1nc2cc(Cl)ccc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G10 compound treatment 0.372 0.0169 0.64 0.362 0.00247 0.1 0.5255 0.8068 1008566 SpecPlus_000768 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G11 compound treatment 0.361 0.00594 0.23 0.354 -0.00553 -0.22 0.0019 0.0061 2101 SpecPlus_000769 Oc1ccc(O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G12 compound treatment 0.341 -0.0141 -0.53 0.344 -0.0155 -0.63 -0.8204 -0.9969 3173243 SpecPlus_000770 C/C=C\1/C[C@@H](C)[C@](O)(CCO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)C32 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G13 compound treatment 0.385 0.0299 1.14 0.354 -0.00553 -0.22 0.6468 0.558 2060434 SpecPlus_000771 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(C)c(OC(=O)C)c(OC(=O)C)cc5[C@]4(C)CC[C@@]3(C)C2C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G14 compound treatment 0.353 -0.00206 -0.08 0.355 -0.00453 -0.18 -0.1845 -0.9287 2060435 SpecPlus_000772 COC(=O)C(OC(=O)C)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G15 compound treatment 0.359 0.00394 0.15 0.356 -0.00353 -0.14 0.0052 0.0251 2060436 SpecPlus_000773 O=C(CCCCCCCCCCCCC1CCCC1)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)CCCCCCCCCCCCC4CCCC4)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G16 compound treatment 0.372 0.0169 0.64 0.362 0.00247 0.1 0.5255 0.8068 2060437 SpecPlus_000774 COC(=O)C(O)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G17 compound treatment 0.37 0.0149 0.57 0.361 0.00147 0.06 0.4432 0.7766 1004889 SpecPlus_000775 CC(=O)Nc1cccc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G18 compound treatment 0.369 0.0139 0.53 0.359 -5.31E-4 -0.02 0.3594 0.678 2060438 SpecPlus_000776 CC(C)(C)NCC(O)COc1cccc2[nH]c(O)nc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G19 compound treatment 0.376 0.0209 0.8 0.359 -5.31E-4 -0.02 0.5475 0.6878 2555 SpecPlus_000777 CCOC(=O)NC1=C(C2CC2)C(=O)C(=C(C3CC3)C1=O)NC(=O)OCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G20 compound treatment 0.375 0.0199 0.76 0.368 0.00847 0.34 0.777 0.9351 1386109 SpecPlus_000778 Oc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G21 compound treatment 0.377 0.0219 0.83 0.366 0.00647 0.26 0.7738 0.8859 907181 SpecPlus_000779 NC(=N)NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G22 compound treatment 0.361 0.00594 0.23 0.356 -0.00353 -0.14 0.0589 0.2209 3173362 SpecPlus_000780 C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4CC5(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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G23 positive control 0.076 -0.279 -10.6 0.075 -0.285 -11.47 -15.6061 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 G24 positive control 0.08 -0.275 -10.45 0.08 -0.28 -11.26 -15.3561 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H01 mock treatment 0.369 0.0139 0.53 0.367 0.00747 0.3 0.5873 0.9641 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H02 mock treatment 0.352 -0.00306 -0.12 0.371 0.0115 0.46 0.2445 0.513 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H03 compound treatment 0.354 -0.00106 -0.04 0.355 -0.00453 -0.18 -0.1577 -0.8431 1402956 SpecPlus_000781 CC(N)C(O)c1ccc(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H04 compound treatment 0.355 -6.25E-5 0.0 0.359 -5.31E-4 -0.02 -0.0168 -0.7808 2060439 SpecPlus_000782 COC1=C(OC)C(=O)C(=C(C)C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC\C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H05 compound treatment 0.389 0.0339 1.29 0.376 0.0165 0.66 1.3812 0.9523 2060440 SpecPlus_000783 COC(=O)C[C@H]1C(C)(C)C(=C2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H06 compound treatment 0.414 0.0589 2.24 0.409 0.0495 1.99 2.9933 0.9983 2060441 SpecPlus_000784 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H07 compound treatment 0.353 -0.00206 -0.08 0.368 0.00847 0.34 0.1859 0.5309 1897 SpecPlus_000785 NNCc1cccc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H08 compound treatment 0.386 0.0309 1.18 0.386 0.0265 1.07 1.5855 0.9988 3173364 SpecPlus_000786 C[C@H]1[C@@]2(C)CCC3C(CCC4C[C@H](CC[C@@]43C)O[C@H]5O[C@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@H]7OC[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]6O)[C@H](O)[C@H]5O)C2O[C@]91CC[C@H](C)CN9 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H09 compound treatment 0.357 0.00194 0.07 0.356 -0.00353 -0.14 -0.0486 -0.3031 1008060 SpecPlus_000787 C1CCc2nnnn2CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H10 compound treatment 0.342 -0.0131 -0.5 0.365 0.00547 0.22 -0.1952 -0.3594 3197 SpecPlus_000788 Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H11 compound treatment 0.368 0.0129 0.49 0.36 4.69E-4 0.02 0.361 0.7337 352677 SpecPlus_000789 COc1ccccc1N2CCNCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H12 compound treatment 0.366 0.0109 0.42 0.37 0.0105 0.42 0.5922 1.0 2060442 SpecPlus_000790 CCC(N)C(O)c1ccc(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H13 compound treatment 0.383 0.0279 1.06 0.363 0.00347 0.14 0.8495 0.7934 907089 SpecPlus_000791 Cn1c(=O)n(C)c2ncn(CCCl)c2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H14 compound treatment 0.361 0.00594 0.23 0.379 0.0195 0.78 0.7143 0.875 1000697 SpecPlus_000792 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@H](OC5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H15 compound treatment 0.361 0.00594 0.23 0.368 0.00847 0.34 0.4009 0.9798 1464728 SpecPlus_000793 Cn1c(=O)[nH]c2nc[nH]c2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H16 compound treatment 0.355 -6.25E-5 0.0 0.363 0.00347 0.14 0.0972 0.695 2060443 SpecPlus_000794 CC(CN1c2ccccc2Sc3cccnc13)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H17 compound treatment 0.379 0.0239 0.91 0.367 0.00747 0.3 0.856 0.8934 1055442 SpecPlus_000795 Nc1nc(O)c2nc(cnc2n1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H18 compound treatment 0.359 0.00394 0.15 0.341 -0.0185 -0.75 -0.4222 -0.5544 2547 SpecPlus_000796 CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H19 compound treatment 0.359 0.00394 0.15 0.352 -0.00753 -0.3 -0.1088 -0.3215 907114 SpecPlus_000797 CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H20 compound treatment 0.355 -6.25E-5 0.0 0.363 0.00347 0.14 0.0972 0.695 1835 SpecPlus_000798 CCCc1nn(C)c2c(=O)[nH]c(nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H21 compound treatment 0.354 -0.00106 -0.04 0.361 0.00147 0.06 0.0133 0.1856 2566 SpecPlus_000799 CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H22 compound treatment 0.364 0.00894 0.34 0.367 0.00747 0.3 0.453 0.9982 1505499 SpecPlus_000800 OC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H23 positive control 0.077 -0.278 -10.57 0.076 -0.284 -11.43 -15.5507 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 H24 positive control 0.08 -0.275 -10.45 0.08 -0.28 -11.26 -15.3561 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I01 mock treatment 0.38 0.0249 0.95 0.369 0.00947 0.38 0.9399 0.92 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I02 mock treatment 0.348 -0.00706 -0.27 0.368 0.00847 0.34 0.0515 0.1187 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I03 compound treatment 0.394 0.0389 1.48 0.402 0.0425 1.71 2.2564 0.9974 290 SpecPlus_000801 CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)C)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I04 compound treatment 0.359 0.00394 0.15 0.338 -0.0215 -0.87 -0.5077 -0.5766 2060444 SpecPlus_000802 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c4c(=O)c(O)cccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I05 compound treatment 0.355 -6.25E-5 0.0 0.362 0.00247 0.1 0.0687 0.69 2060445 SpecPlus_000803 CC(C)CCCC(C)[C@H]1CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I06 compound treatment 0.355 -6.25E-5 0.0 0.367 0.00747 0.3 0.2111 0.7015 2060446 SpecPlus_000804 CC1(C)[C@@H](O)C=C[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I07 compound treatment 0.354 -0.00106 -0.04 0.37 0.0105 0.42 0.2697 0.6365 2294 SpecPlus_000805 CC(=O)NC(C(=O)O)C(C)(C)SN=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I08 compound treatment 0.359 0.00394 0.15 0.365 0.00547 0.22 0.2616 0.9822 3173368 SpecPlus_000806 O=C1CC[C@]2(/C=C/C(=O)NCCCCNCCCNC(=O)\C=C\c3ccc4O[C@@H]2C1)c4c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I09 compound treatment 0.386 0.0309 1.18 0.374 0.0145 0.58 1.2436 0.9476 1865 SpecPlus_000807 Clc1cccc(Nc2nnc(c3ccccc3)c4ccccc24)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I10 compound treatment 0.374 0.0189 0.72 0.369 0.00947 0.38 0.7787 0.956 3684 SpecPlus_000808 OC(=O)C1=CCCNC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I11 compound treatment 0.382 0.0269 1.02 0.388 0.0285 1.15 1.535 0.9984 1006104 SpecPlus_000809 Cc1cc(=O)oc2cc(O)cc(O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I12 compound treatment 0.388 0.0329 1.25 0.367 0.00747 0.3 1.0979 0.8528 3173369 SpecPlus_000810 CC(C)c1c(OC(=O)C)ccc2c1CCC3C(C)(C)CCC[C@@]32C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I13 compound treatment 0.363 0.00794 0.3 0.374 0.0145 0.58 0.6256 0.953 2060447 SpecPlus_000811 CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I14 compound treatment 0.358 0.00294 0.11 0.377 0.0175 0.7 0.5767 0.8091 2060448 SpecPlus_000812 COc1ccc2[C@H](O)[C@H](Cc3ccc(OC)c(OC)c3)COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I15 compound treatment 0.37 0.0149 0.57 0.363 0.00347 0.14 0.5002 0.8557 2060449 SpecPlus_000813 CCCCCCCCCCCCCC1CC(CO)OC(C)(C)O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I16 compound treatment 0.363 0.00794 0.3 0.364 0.00447 0.18 0.3406 0.9696 470 SpecPlus_000814 OC(=O)CCCc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I17 compound treatment 0.393 0.0379 1.44 0.371 0.0115 0.46 1.3462 0.8892 2060450 SpecPlus_000815 COc1ccc(cc1)c2coc3cc(OC)c(OC)cc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I18 compound treatment 0.375 0.0199 0.76 0.367 0.00747 0.3 0.7486 0.9182 1024489 SpecPlus_000816 Cc1cc(O)cc(=O)o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I19 compound treatment 0.114 -0.241 -9.16 0.122 -0.238 -9.57 -13.2458 -0.9998 1001621 SpecPlus_000817 Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I20 compound treatment 0.385 0.0299 1.14 0.352 -0.00753 -0.3 0.5899 0.501 2060451 SpecPlus_000818 CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I21 compound treatment 0.366 0.0109 0.42 0.365 0.00547 0.22 0.4497 0.956 3173490 SpecPlus_000819 C[C@@H]1O[C@@H](OC[C@H]2O[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](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I22 compound treatment 0.368 0.0129 0.49 0.372 0.0125 0.5 0.7029 0.9999 1754 SpecPlus_000820 CCCN[C@H]1CCc2nc(N)sc2C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I23 positive control 0.077 -0.278 -10.57 0.076 -0.284 -11.43 -15.5507 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 I24 positive control 0.082 -0.273 -10.38 0.08 -0.28 -11.26 -15.3024 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J01 mock treatment 0.321 -0.0341 -1.29 0.362 0.00247 0.1 -0.8449 -0.6508 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J02 mock treatment 0.349 -0.00606 -0.23 0.352 -0.00753 -0.3 -0.3775 -0.9908 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J03 compound treatment 0.353 -0.00206 -0.08 0.352 -0.00753 -0.3 -0.27 -0.8615 2060452 SpecPlus_000821 CC1(C)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O1)C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J04 compound treatment 0.386 0.0309 1.18 0.361 0.00147 0.06 0.8732 0.7418 2548 SpecPlus_000822 CCCCC[C@](C)(C/C=C/C=C/C(=O)OC(C)C)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J05 compound treatment 0.348 -0.00706 -0.27 0.351 -0.00853 -0.34 -0.4329 -0.9925 4362 SpecPlus_000823 CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J06 compound treatment 0.38 0.0249 0.95 0.359 -5.31E-4 -0.02 0.655 0.691 2060453 SpecPlus_000824 Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J07 compound treatment 0.358 0.00294 0.11 0.35 -0.00953 -0.38 -0.1927 -0.4817 2830 SpecPlus_000825 Clc1ccc2n(C3CCN(CCCn4c(=O)[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J08 compound treatment 0.429 0.0739 2.81 0.44 0.0805 3.24 4.2796 0.9975 2060454 SpecPlus_000826 Oc1cc(O)c2c(=O)cc(oc2c1)c3cc(O)c(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J09 compound treatment 0.427 0.0719 2.73 0.429 0.0695 2.8 3.9125 0.9999 3173492 SpecPlus_000827 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(O)ccc3-c2c(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J10 compound treatment 0.359 0.00394 0.15 0.368 0.00847 0.34 0.3471 0.9315 3173493 SpecPlus_000828 CC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J11 compound treatment 0.381 0.0259 0.99 0.37 0.0105 0.42 0.9953 0.9283 1429 SpecPlus_000829 CCCCOC(=O)c1ccc(N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J12 compound treatment 0.371 0.0159 0.61 0.374 0.0145 0.58 0.8405 0.9998 2060455 SpecPlus_000830 NC(=N)Nc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J13 compound treatment 0.358 0.00294 0.11 0.373 0.0135 0.54 0.4627 0.8351 1036721 SpecPlus_000831 Oc1c(oc2ccccc2c1=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J14 compound treatment 0.376 0.0209 0.8 0.378 0.0185 0.74 1.0889 0.9994 1008178 SpecPlus_000832 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J15 compound treatment 0.359 0.00394 0.15 0.36 4.69E-4 0.02 0.1192 0.7901 1606 SpecPlus_000833 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J16 compound treatment 0.361 0.00594 0.23 0.4 0.0405 1.63 1.3127 0.7973 2060456 SpecPlus_000834 C[C@@H]1CC(Cl)CC[C@H]1C(=O)OC(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J17 compound treatment 0.367 0.0119 0.45 0.362 0.00247 0.1 0.3911 0.8422 2060457 SpecPlus_000835 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J18 compound treatment 0.357 0.00194 0.07 0.36 4.69E-4 0.02 0.0654 0.8606 907120 SpecPlus_000836 CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J19 compound treatment 0.376 0.0209 0.8 0.369 0.00947 0.38 0.8324 0.9433 2060458 SpecPlus_000837 CC(=O)Oc1cccc(C(=O)O)c1OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J20 compound treatment 0.365 0.00994 0.38 0.371 0.0115 0.46 0.5938 0.995 2060459 SpecPlus_000838 OC[C@H]1OC2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J21 compound treatment 0.355 -6.25E-5 0.0 0.338 -0.0215 -0.87 -0.6152 -0.709 2060460 SpecPlus_000839 NC1=NCC(O1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J22 compound treatment 0.369 0.0139 0.53 0.34 -0.0195 -0.79 -0.182 -0.1919 3173494 SpecPlus_000840 COC1CC(CC(C)C2CC(=O)C(C)/C=C(\C)/C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=C/C=C(\C)/C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J23 positive control 0.078 -0.277 -10.53 0.077 -0.283 -11.39 -15.4954 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 J24 positive control 0.082 -0.273 -10.38 0.08 -0.28 -11.26 -15.3024 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K01 mock treatment 0.322 -0.0331 -1.26 0.357 -0.00253 -0.1 -0.9605 -0.762 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K02 mock treatment 0.342 -0.0131 -0.5 0.353 -0.00653 -0.26 -0.5371 -0.956 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K03 compound treatment 0.35 -0.00506 -0.19 0.351 -0.00853 -0.34 -0.3791 -0.9624 2060461 SpecPlus_000841 COc1ccc(C2COc3c(OC)c(O)ccc3C2)c(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K04 compound treatment 0.344 -0.0111 -0.42 0.355 -0.00453 -0.18 -0.4264 -0.9303 3474304 SpecPlus_000842 COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K05 compound treatment 0.352 -0.00306 -0.12 0.339 -0.0205 -0.83 -0.6673 -0.7987 366 SpecPlus_000843 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K06 compound treatment 0.356 9.37E-4 0.04 0.357 -0.00253 -0.1 -0.0469 -0.4344 2060462 SpecPlus_000844 C[C@H]1[C@@H]2[C@@H](O)C[C@@]3(C)C=CC(=O)C(=C3[C@@]2(C)OC1=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K07 compound treatment 0.37 0.0149 0.57 0.407 0.0475 1.91 1.754 0.8791 3173495 SpecPlus_000845 COC(=O)C[C@H]1[C@@]2(C)C(OC3CC(C(=C32)C)c4ccoc4)[C@@H]5OC(=O)[C@]6(C)C=CC(=O)[C@@]1(C)C56 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K08 compound treatment 0.374 0.0189 0.72 0.343 -0.0165 -0.67 0.0378 0.0386 2060463 SpecPlus_000846 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(O)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K09 compound treatment 0.356 9.37E-4 0.04 0.368 0.00847 0.34 0.2665 0.7767 2060464 SpecPlus_000847 CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C[C@@H]4CC3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K10 compound treatment 0.408 0.0529 2.01 0.378 0.0185 0.74 1.9487 0.9085 2060465 SpecPlus_000848 CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O)C1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K11 compound treatment 0.407 0.0519 1.97 0.395 0.0355 1.43 2.4063 0.9874 3055171 SpecPlus_000849 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(C)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)C2C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K12 compound treatment 0.098 -0.257 -9.77 0.096 -0.264 -10.62 -14.4166 -0.9991 1010201 SpecPlus_000850 ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K13 compound treatment 0.344 -0.0111 -0.42 0.378 0.0185 0.74 0.229 0.2679 2060466 SpecPlus_000851 OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K14 compound treatment 0.432 0.0769 2.92 0.428 0.0685 2.76 4.0183 0.9996 2060467 SpecPlus_000852 COc1ccc2C(=O)/C(=C\c3ccc(OC)c(OC)c3)/COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K15 compound treatment 0.374 0.0189 0.72 0.37 0.0105 0.42 0.8072 0.9676 2060468 SpecPlus_000853 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K16 compound treatment 0.365 0.00994 0.38 0.372 0.0125 0.5 0.6223 0.9901 840551 SpecPlus_000854 NCCCCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K17 compound treatment 0.337 -0.0181 -0.69 0.361 0.00147 0.06 -0.4435 -0.6437 3055207 SpecPlus_000855 COc1cc(O)cc(/C=C/c2ccccc2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K18 compound treatment 0.389 0.0339 1.29 0.371 0.0115 0.46 1.2387 0.9042 2060469 SpecPlus_000856 C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)C)C3(C)C[C@H](O)C2C4(C)C=CC(=O)C=C14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K19 compound treatment 0.368 0.0129 0.49 0.365 0.00547 0.22 0.5035 0.9345 3055209 SpecPlus_000857 COc1cc(C(=O)O)c2Oc3c(C(O)O)c(O)cc(C)c3C(=O)Oc2c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K20 compound treatment 0.351 -0.00406 -0.15 0.365 0.00547 0.22 0.0467 0.1734 1015899 SpecPlus_000858 NCC(=O)CCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K21 compound treatment 0.381 0.0259 0.99 0.366 0.00647 0.26 0.8813 0.8644 2060470 SpecPlus_000859 CC1CCC=C2C(CC(CC12C)C(=C)C)OC(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K22 compound treatment 0.365 0.00994 0.38 0.375 0.0155 0.62 0.7078 0.9712 1044412 SpecPlus_000860 Oc1cc2ccccc2oc1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K23 positive control 0.082 -0.273 -10.38 0.079 -0.281 -11.3 -15.3309 -0.9991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 K24 positive control 0.085 -0.27 -10.26 0.08 -0.28 -11.26 -15.2218 -0.9989 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L01 mock treatment 0.359 0.00394 0.15 0.367 0.00747 0.3 0.3186 0.948 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L02 mock treatment 0.353 -0.00206 -0.08 0.345 -0.0145 -0.59 -0.4695 -0.7947 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L03 compound treatment 0.392 0.0369 1.4 0.387 0.0275 1.11 1.7752 0.9931 1009556 SpecPlus_000861 Nc1c2ccccc2nc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L04 compound treatment 0.36 0.00494 0.19 0.352 -0.00753 -0.3 -0.0819 -0.2296 2060471 SpecPlus_000862 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L05 compound treatment 0.341 -0.0141 -0.53 0.349 -0.0105 -0.42 -0.6779 -0.9935 2060472 SpecPlus_000863 C[C@@]12CCC3C(C=CC4=CC(=O)CC[C@]34C)C2CC[C@@]1(O)CCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L06 compound treatment 0.38 0.0249 0.95 0.365 0.00547 0.22 0.8259 0.8489 593 SpecPlus_000864 Oc1ccc2ccc(=O)oc2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L07 compound treatment 0.364 0.00894 0.34 0.356 -0.00353 -0.14 0.1395 0.3789 1009258 SpecPlus_000865 O=C1NC(=O)C(=O)C(=O)N1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L08 compound treatment 0.36 0.00494 0.19 0.357 -0.00253 -0.1 0.0605 0.2835 2060473 SpecPlus_000866 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@](C)(O)CC[C@@H]1[C@@]23O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L09 compound treatment 0.357 0.00194 0.07 0.345 -0.0145 -0.59 -0.362 -0.6134 3055218 SpecPlus_000867 OCC(O)[C@H]1OC(=O)C(=C1O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L10 compound treatment 0.369 0.0139 0.53 0.371 0.0115 0.46 0.7013 0.9977 1001314 SpecPlus_000868 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L11 compound treatment 0.403 0.0479 1.82 0.399 0.0395 1.59 2.4127 0.9977 1473 SpecPlus_000869 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L12 compound treatment 0.358 0.00294 0.11 0.364 0.00447 0.18 0.2063 0.9736 3474312 SpecPlus_000870 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L13 compound treatment 0.394 0.0389 1.48 0.399 0.0395 1.59 2.1709 0.9993 1000219 SpecPlus_000871 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L14 compound treatment 0.113 -0.242 -9.2 0.111 -0.249 -10.01 -13.5861 -0.9991 2060474 SpecPlus_000872 O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c7cc(O)c(O)c(O)c7)c(O)cc(O)c34)c8cc(O)c(O)c(O)c8)c2O[C@@H]1c9cc(O)c(O)c(O)c9 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L15 compound treatment 0.376 0.0209 0.8 0.366 0.00647 0.26 0.7469 0.8921 2060475 SpecPlus_000873 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L16 compound treatment 0.37 0.0149 0.57 0.362 0.00247 0.1 0.4717 0.8186 3474314 SpecPlus_000874 CN1CCCCC1C(=O)Nc2c(C)cccc2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L17 compound treatment 0.376 0.0209 0.8 0.364 0.00447 0.18 0.6899 0.8458 2552 SpecPlus_000875 OC[C@H]1O[C@H](C(O)[C@H]1O)n2c(F)cc(=O)[nH]c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L18 compound treatment 0.38 0.0249 0.95 0.358 -0.00153 -0.06 0.6265 0.6597 2060476 SpecPlus_000876 C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L19 compound treatment 0.361 0.00594 0.23 0.363 0.00347 0.14 0.2584 0.9735 2060477 SpecPlus_000877 CC(C)CCCC(C)C1CCC2C3=CC[C@H]4C[C@@H](O)CCC4(C)C3CCC12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L20 compound treatment 0.348 -0.00706 -0.27 0.365 0.00547 0.22 -0.0339 -0.0978 1089854 SpecPlus_000878 Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L21 compound treatment 0.433 0.0779 2.96 0.422 0.0625 2.52 3.8742 0.9967 2060478 SpecPlus_000879 CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2C)O3)C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L22 compound treatment 0.355 -6.25E-5 0.0 0.346 -0.0135 -0.55 -0.3872 -0.7102 2060479 SpecPlus_000880 COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(CO)c2O)c(C)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L23 positive control 0.08 -0.275 -10.45 0.079 -0.281 -11.3 -15.3846 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 L24 positive control 0.084 -0.271 -10.3 0.081 -0.279 -11.22 -15.2202 -0.9991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M01 mock treatment 0.354 -0.00106 -0.04 0.37 0.0105 0.42 0.2697 0.6365 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M02 mock treatment 0.347 -0.00806 -0.31 0.344 -0.0155 -0.63 -0.6592 -0.946 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M03 compound treatment 0.331 -0.0241 -0.91 0.341 -0.0185 -0.75 -1.1746 -0.9949 2060480 SpecPlus_000881 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M04 compound treatment 0.376 0.0209 0.8 0.349 -0.0105 -0.42 0.2625 0.2911 3173624 SpecPlus_000882 CC1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M05 compound treatment 0.334 -0.0211 -0.8 0.341 -0.0185 -0.75 -1.094 -0.9994 3173625 SpecPlus_000883 Nc1nc2n(cnc2c(=O)[nH]1)C3C[C@H](O)[C@@H](CO)O3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M06 compound treatment 0.352 -0.00306 -0.12 0.345 -0.0145 -0.59 -0.4963 -0.8314 1002856 SpecPlus_000884 CCC(C(=O)N)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M07 compound treatment 0.361 0.00594 0.23 0.351 -0.00853 -0.34 -0.0835 -0.2032 3173626 SpecPlus_000885 CC(C)C(C)/C=C/C(C)C1CCC2C3=CC=C4C(C)(C)C(CCC4(C)C3CCC12C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M08 compound treatment 0.413 0.0579 2.2 0.403 0.0435 1.75 2.7954 0.9936 3055280 SpecPlus_000886 CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M09 compound treatment 0.426 0.0709 2.7 0.447 0.0875 3.52 4.3985 0.9912 3173627 SpecPlus_000887 CCCCCC(O)C1C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)/C(=C/C=C/C=C/C=C/C=C/C(O)C(C)OC1=O)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M10 compound treatment 0.359 0.00394 0.15 0.352 -0.00753 -0.3 -0.1088 -0.3215 2060481 SpecPlus_000888 COc1ccc([C@@H]2COc3c(OC)c(O)ccc3C2)c(OC)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M11 compound treatment 0.37 0.0149 0.57 0.366 0.00647 0.26 0.5857 0.9377 2060482 SpecPlus_000889 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M12 compound treatment 0.352 -0.00306 -0.12 0.361 0.00147 0.06 -0.0404 -0.3097 2060483 SpecPlus_000890 CC(=O)N[C@@H](CC(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M13 compound treatment 0.369 0.0139 0.53 0.363 0.00347 0.14 0.4734 0.8641 3173628 SpecPlus_000891 CN1C(C)(C)CCCC1(C)C.OC(C(O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M14 compound treatment 0.367 0.0119 0.45 0.369 0.00947 0.38 0.5906 0.9963 1001523 SpecPlus_000892 Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M15 compound treatment 0.384 0.0289 1.1 0.375 0.0155 0.62 1.2183 0.9638 2060485 SpecPlus_000893 COc1cc2OCC3Oc4c5CCC(C)(C)Oc5cc(OC)c4C(=O)C3c2cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M16 compound treatment 0.351 -0.00406 -0.15 0.359 -5.31E-4 -0.02 -0.1243 -0.7975 2060486 SpecPlus_000894 CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M17 compound treatment 0.409 0.0539 2.05 0.381 0.0215 0.87 2.0611 0.9264 1000094 SpecPlus_000895 CCC(C)(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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M18 compound treatment 0.374 0.0189 0.72 0.366 0.00647 0.26 0.6932 0.9057 1734308 SpecPlus_000896 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M19 compound treatment 0.36 0.00494 0.19 0.364 0.00447 0.18 0.26 0.9998 1002855 SpecPlus_000897 CCC(C(=O)O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M20 compound treatment 0.371 0.0159 0.61 0.364 0.00447 0.18 0.5556 0.8793 3173630 SpecPlus_000898 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(OC(=O)C)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M21 compound treatment 0.4 0.0449 1.71 0.409 0.0495 1.99 2.6171 0.997 1091345 SpecPlus_000899 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M22 compound treatment 0.355 -6.25E-5 0.0 0.352 -0.00753 -0.3 -0.2163 -0.7126 907273 SpecPlus_000900 Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M23 positive control 0.084 -0.271 -10.3 0.082 -0.278 -11.18 -15.1917 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 M24 positive control 0.087 -0.268 -10.19 0.081 -0.279 -11.22 -15.1395 -0.9988 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N01 mock treatment 0.325 -0.0301 -1.14 0.344 -0.0155 -0.63 -1.2504 -0.9599 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N02 mock treatment 0.332 -0.0231 -0.88 0.327 -0.0325 -1.31 -1.5467 -0.9808 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N03 compound treatment 0.33 -0.0251 -0.95 0.338 -0.0215 -0.87 -1.287 -0.9989 3055336 SpecPlus_000901 Oc1ccc2sc(=O)oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N04 compound treatment 0.33 -0.0251 -0.95 0.346 -0.0135 -0.55 -1.059 -0.965 1765 SpecPlus_000902 CC1(C)NC(=O)N(C1=O)c2ccc([N+](=O)[O-])c(c2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N05 compound treatment 0.339 -0.0161 -0.61 0.349 -0.0105 -0.42 -0.7317 -0.9842 3173631 SpecPlus_000903 Oc1c(oc2ccc3occc3c2c1=O)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N06 compound treatment 0.339 -0.0161 -0.61 0.354 -0.00553 -0.22 -0.5892 -0.9068 1013144 SpecPlus_000904 O=C1OC(=O)C2C3CCC(O3)C21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N07 compound treatment 0.347 -0.00806 -0.31 0.357 -0.00253 -0.1 -0.2888 -0.8943 1002775 SpecPlus_000905 Cc1cccc(C(=O)O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N08 compound treatment 0.331 -0.0241 -0.91 0.358 -0.00153 -0.06 -0.6902 -0.7531 2060487 SpecPlus_000906 OC(=O)C1CC(CN2CCCCC12)[C@H]3CCCCN3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N09 compound treatment 0.357 0.00194 0.07 0.357 -0.00253 -0.1 -0.0201 -0.1595 3173633 SpecPlus_000907 CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c3ccccc3)C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N10 compound treatment 0.366 0.0109 0.42 0.363 0.00347 0.14 0.3927 0.8956 1307902 SpecPlus_000908 CN1CCCCC1c2ccc(nc2)c3cccnc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N11 compound treatment 0.347 -0.00806 -0.31 0.358 -0.00153 -0.06 -0.2603 -0.8328 2060488 SpecPlus_000909 CC(=CCC[C@@](C)(O)C=C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N12 compound treatment 0.355 -6.25E-5 0.0 0.365 0.00547 0.22 0.1541 0.6994 1216977 SpecPlus_000910 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N13 compound treatment 0.418 0.0629 2.39 0.396 0.0365 1.47 2.7303 0.9726 1661997 SpecPlus_000911 CC12CCC3C(CCc4cc(OC(=O)c5ccccc5)ccc34)C2CCC1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N14 compound treatment 0.351 -0.00406 -0.15 0.339 -0.0205 -0.83 -0.6942 -0.8248 2060489 SpecPlus_000912 C/C=C(/C)\C(=O)O[C@@H]1Cc2c(OC1(C)C)ccc3ccc(=O)oc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N15 compound treatment 0.35 -0.00506 -0.19 0.385 0.0255 1.03 0.5897 0.5647 1554635 SpecPlus_000913 COc1cc(OC)c2c(=O)cc(oc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N16 compound treatment 0.358 0.00294 0.11 0.361 0.00147 0.06 0.1208 0.956 2060490 SpecPlus_000914 C/C=C(\C)/C(=O)O[C@H]1[C@@H](OC(=O)C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N17 compound treatment 0.35 -0.00506 -0.19 0.357 -0.00253 -0.1 -0.2082 -0.956 2562 SpecPlus_000915 OC(=O)CF 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N18 compound treatment 0.377 0.0219 0.83 0.372 0.0125 0.5 0.9448 0.9706 2060491 SpecPlus_000916 CC(C)CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N19 compound treatment 0.35 -0.00506 -0.19 0.345 -0.0145 -0.59 -0.5501 -0.8925 1000807 SpecPlus_000917 CN1CCN(CC1)C(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N20 compound treatment 0.354 -0.00106 -0.04 0.373 0.0135 0.54 0.3552 0.6527 3055383 SpecPlus_000918 CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N21 compound treatment 0.353 -0.00206 -0.08 0.367 0.00747 0.3 0.1574 0.5061 1003514 SpecPlus_000919 COc1cc(cc(OC)c1OC)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N22 compound treatment 0.357 0.00194 0.07 0.372 0.0125 0.5 0.4073 0.8022 3161 SpecPlus_000920 CN(Cc1ccc(cc1)C(C)(C)C)Cc2cccc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N23 positive control 0.083 -0.272 -10.34 0.081 -0.279 -11.22 -15.247 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 N24 positive control 0.086 -0.269 -10.22 0.08 -0.28 -11.26 -15.1949 -0.9988 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O01 mock treatment 0.338 -0.0171 -0.65 0.346 -0.0135 -0.55 -0.844 -0.9963 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O02 mock treatment 0.333 -0.0221 -0.84 0.331 -0.0285 -1.15 -1.4058 -0.988 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O03 compound treatment 0.316 -0.0391 -1.48 0.318 -0.0415 -1.67 -2.233 -0.9982 1040795 SpecPlus_000921 COc1cccc(O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O04 compound treatment 0.323 -0.0321 -1.22 0.333 -0.0265 -1.07 -1.6175 -0.9979 2060492 SpecPlus_000922 C[C@H]1C[C@@H](O)[C@]2(O)[C@@]31CC(=O)[C@@](C)(O)[C@]2(C)COC(=O)C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O05 compound treatment 0.365 0.00994 0.38 0.356 -0.00353 -0.14 0.1664 0.4124 1054271 SpecPlus_000923 COc1ccc(cc1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O06 compound treatment 0.377 0.0219 0.83 0.371 0.0115 0.46 0.9163 0.9613 2060493 SpecPlus_000924 COc1ccc2c(=O)c(coc2c1)c3ccc4OCOc4c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O07 compound treatment 0.341 -0.0141 -0.53 0.357 -0.00253 -0.1 -0.45 -0.8271 1109169 SpecPlus_000925 COc1ccc2c(=O)c(coc2c1)c3cc4OCOc4cc3OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O08 compound treatment 0.371 0.0159 0.61 0.362 0.00247 0.1 0.4986 0.8124 3173754 SpecPlus_000926 CO[C@H]1[C@H](C)O[C@H](C[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CCC4C3C[C@@H](O)[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O09 compound treatment 0.394 0.0389 1.48 0.412 0.0525 2.11 2.5413 0.9848 3055391 SpecPlus_000927 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O10 compound treatment 0.336 -0.0191 -0.72 0.444 0.0845 3.4 1.8946 0.5444 1913604 SpecPlus_000928 OC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O11 compound treatment 0.357 0.00194 0.07 0.35 -0.00953 -0.38 -0.2195 -0.5613 3100 SpecPlus_000929 COc1c2OCOc2cc3CCN(C)Cc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O12 compound treatment 0.371 0.0159 0.61 0.366 0.00647 0.26 0.6126 0.929 2060494 SpecPlus_000930 COc1ccc2C(=O)C(Cc3ccc(OC)c(OC)c3)COc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O13 compound treatment 0.347 -0.00806 -0.31 0.379 0.0195 0.78 0.3381 0.4014 3173755 SpecPlus_000931 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O14 compound treatment 0.153 -0.202 -7.68 0.16 -0.2 -8.04 -11.115 -0.9997 2060495 SpecPlus_000932 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3c4c(O)c(O)c(O)cc4[C@H]5Oc6cc(O)cc(O)c6C[C@H]5OC(=O)c7cc(O)c(O)c(O)c7 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O15 compound treatment 0.362 0.00694 0.26 0.383 0.0235 0.95 0.8551 0.871 2060496 SpecPlus_000933 CC1(C)C=C[C@H](O)[C@@]2(C)C1C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O16 compound treatment 0.351 -0.00406 -0.15 0.363 0.00347 0.14 -0.0103 -0.0496 1001994 SpecPlus_000934 C[C@@H](N)[C@@H](O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O17 compound treatment 0.344 -0.0111 -0.42 0.359 -5.31E-4 -0.02 -0.3124 -0.7422 1013678 SpecPlus_000935 Oc1ccccc1C(=O)Nc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O18 compound treatment 0.353 -0.00206 -0.08 0.36 4.69E-4 0.02 -0.0421 -0.5218 2060497 SpecPlus_000936 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O19 compound treatment 0.352 -0.00306 -0.12 0.372 0.0125 0.5 0.273 0.5293 2060498 SpecPlus_000937 C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)CCC(=O)O)C3(C)C[C@H](O)C2C4(C)C=CC(=O)C=C14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O20 compound treatment 0.623 0.268 10.18 0.611 0.251 10.13 14.3651 1.0 2561 SpecPlus_000938 Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O21 compound treatment 0.358 0.00294 0.11 0.366 0.00647 0.26 0.2633 0.9284 2060499 SpecPlus_000939 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O22 compound treatment 0.355 -6.25E-5 0.0 0.364 0.00447 0.18 0.1257 0.6977 2060500 SpecPlus_000940 NCCc1cccc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O23 positive control 0.088 -0.267 -10.15 0.086 -0.274 -11.02 -14.9702 -0.9991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 O24 positive control 0.091 -0.264 -10.03 0.084 -0.276 -11.1 -14.9466 -0.9987 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P01 mock treatment 0.355 -6.25E-5 0.0 0.348 -0.0115 -0.46 -0.3303 -0.7107 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P02 mock treatment 0.34 -0.0151 -0.57 0.352 -0.00753 -0.3 -0.6193 -0.956 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P03 compound treatment 0.354 -0.00106 -0.04 0.431 0.0715 2.88 2.0079 0.6971 3173759 SpecPlus_000941 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(OC4O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P04 compound treatment 0.347 -0.00806 -0.31 0.355 -0.00453 -0.18 -0.3458 -0.9694 3055445 SpecPlus_000942 CC(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P05 compound treatment 0.357 0.00194 0.07 0.367 0.00747 0.3 0.2649 0.8549 3173760 SpecPlus_000943 COc1cc2CCN(C)[C@@H]3Cc4cccc(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)c(O)c5)c4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P06 compound treatment 0.363 0.00794 0.3 0.368 0.00847 0.34 0.4546 0.9981 2060501 SpecPlus_000944 CC(C)(OC(=O)c1ccccc1)[C@@H]2Cc3cc4ccc(=O)oc4cc3O2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P07 compound treatment 0.361 0.00594 0.23 0.371 0.0115 0.46 0.4863 0.9456 1004713 SpecPlus_000945 CNc1ccccc1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P08 compound treatment 0.365 0.00994 0.38 0.363 0.00347 0.14 0.3659 0.9086 1023016 SpecPlus_000946 COc1ccc2ccc(=O)oc2c1CC=C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P09 compound treatment 0.371 0.0159 0.61 0.372 0.0125 0.5 0.7835 0.9957 3173761 SpecPlus_000947 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P10 compound treatment 0.418 0.0629 2.39 0.414 0.0545 2.19 3.2432 0.9991 1463965 SpecPlus_000948 CC1(C)CCc2c3OC(C)(C)C=Cc3c4occ(c5ccc(O)cc5)c(=O)c4c2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P11 compound treatment 0.507 0.152 5.77 0.523 0.163 6.59 8.7406 0.9978 3173762 SpecPlus_000949 CC1OC(O[C@@H]/2CC3O[C@@](O)(C[C@H](O)C3C(=O)O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C2)C(O)[C@H](N)C1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P12 compound treatment 0.376 0.0209 0.8 0.388 0.0285 1.15 1.3738 0.984 1296906 SpecPlus_000950 COc1ccc(C(=O)CC(=O)O)c2OC(C)(C)C=Cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P13 compound treatment 0.458 0.103 3.91 0.454 0.0945 3.81 5.4578 0.9999 1001284 SpecPlus_000951 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)C6CCCC6C(=O)C(NC5=O)C(C)C)c4nc23)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCC7C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P14 compound treatment 0.365 0.00994 0.38 0.381 0.0215 0.87 0.8788 0.9309 1204574 SpecPlus_000952 COc1c(oc2cc3oc(=O)ccc3cc12)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P15 compound treatment 0.403 0.0479 1.82 0.41 0.0505 2.03 2.7262 0.9985 2558 SpecPlus_000953 c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P16 compound treatment 0.379 0.0239 0.91 0.377 0.0175 0.7 1.141 0.992 1101055 SpecPlus_000954 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P17 compound treatment 0.385 0.0299 1.14 0.376 0.0165 0.66 1.2737 0.9671 2060502 SpecPlus_000955 COc1cc(cc(OC)c1O)C(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P18 compound treatment 0.383 0.0279 1.06 0.386 0.0265 1.07 1.5049 1.0 2321 SpecPlus_000956 COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P19 compound treatment 0.385 0.0299 1.14 0.377 0.0175 0.7 1.3022 0.9734 3173763 SpecPlus_000957 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P20 compound treatment 0.379 0.0239 0.91 0.372 0.0125 0.5 0.9985 0.9608 2060503 SpecPlus_000958 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@@H](OC[C@H]34)c5ccc6OCOc6c5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P21 compound treatment 0.376 0.0209 0.8 0.371 0.0115 0.46 0.8894 0.9666 2060504 SpecPlus_000959 Cc1cc(O)c(C)c(O)c1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P22 compound treatment 0.374 0.0189 0.72 0.37 0.0105 0.42 0.8072 0.9676 1001642 SpecPlus_000960 OC[C@H]1OC(C[C@@H]1O)n2cc(c(=O)[nH]c2=O)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P23 positive control 0.094 -0.261 -9.92 0.09 -0.27 -10.86 -14.695 -0.999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.1083 P24 positive control 0.092 -0.263 -10.0 0.086 -0.274 -11.02 -14.8627 -0.9988 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A01 mock treatment 0.395 0.00936 0.36 0.381 0.0259 1.04 0.9886 0.8976 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A02 mock treatment 0.367 -0.0186 -0.71 0.358 0.00287 0.12 -0.4192 -0.5841 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A03 compound treatment 0.373 -0.0126 -0.48 0.361 0.00587 0.24 -0.1725 -0.3222 678 NINDS_000001 NCC(CC(=O)O)c1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A04 compound treatment 0.361 -0.0246 -0.94 0.364 0.00887 0.36 -0.4095 -0.4086 679 NINDS_000002 CC(=O)Nc1cc(ccc1O)[As](=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A05 compound treatment 0.377 -0.00864 -0.33 0.358 0.00287 0.12 -0.1505 -0.4323 3173079 NINDS_000003 CC1(C)N[C@@H](C(=O)N1C2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A06 compound treatment 0.374 -0.0116 -0.44 0.363 0.00787 0.32 -0.0886 -0.1629 1587004 NINDS_000004 COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A07 compound treatment 0.381 -0.00464 -0.18 0.359 0.00387 0.16 -0.0145 -0.0616 681 NINDS_000005 CC(CN1c2ccccc2Sc3ccccc13)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A08 compound treatment 0.37 -0.0156 -0.59 0.362 0.00687 0.28 -0.2246 -0.3426 682 NINDS_000006 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@@]21C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A09 compound treatment 0.371 -0.0146 -0.56 0.368 0.0129 0.52 -0.0268 -0.0352 683 NINDS_000007 Cc1ncc([N+](=O)[O-])n1CCO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A10 compound treatment 0.377 -0.00864 -0.33 0.364 0.00887 0.36 0.0205 0.0422 3173081 NINDS_000008 COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A11 compound treatment 0.373 -0.0126 -0.48 0.372 0.0169 0.68 0.141 0.1694 684 NINDS_000009 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A12 compound treatment 0.372 -0.0136 -0.52 0.371 0.0159 0.64 0.0856 0.104 3044526 NINDS_000010 NC(=N)N/N=C\c1c(Cl)cccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A13 compound treatment 0.371 -0.0146 -0.56 0.37 0.0149 0.6 0.0302 0.037 686 NINDS_000011 C(Nc1ncnc2[nH]cnc12)c3ccco3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A14 compound treatment 0.366 -0.0196 -0.75 0.369 0.0139 0.56 -0.1326 -0.1423 687 NINDS_000012 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A15 compound treatment 0.371 -0.0146 -0.56 0.367 0.0119 0.48 -0.0553 -0.0753 3173083 NINDS_000013 CO[C@H]1[C@H](O)CC(=O)O[C@@H](C)C/C=C/C=C/[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A16 compound treatment 0.369 -0.0166 -0.63 0.367 0.0119 0.48 -0.109 -0.1375 689 NINDS_000014 Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A17 compound treatment 0.37 -0.0156 -0.59 0.368 0.0129 0.52 -0.0536 -0.068 690 NINDS_000015 CC(C)NCC(O)COc1ccccc1CC=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A18 compound treatment 0.366 -0.0196 -0.75 0.365 0.00987 0.4 -0.2466 -0.2916 691 NINDS_000016 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2C1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A19 compound treatment 0.37 -0.0156 -0.59 0.369 0.0139 0.56 -0.0251 -0.0308 692 NINDS_000017 CC(=O)Nc1nnc(s1)S(=O)(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A20 compound treatment 0.378 -0.00764 -0.29 0.356 8.67E-4 0.03 -0.1806 -0.6176 693 NINDS_000018 CCN(CC)CCOc1ccc-2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc32 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A21 compound treatment 0.362 -0.0236 -0.9 0.361 0.00587 0.24 -0.4681 -0.5039 694 NINDS_000019 C[C@H]1CC2C3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)C4(C)C=CC(=O)C=C14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A22 compound treatment 0.367 -0.0186 -0.71 0.365 0.00987 0.4 -0.2197 -0.2705 695 NINDS_000020 CC1CCC(CC1)NC(=O)N(CCCl)N=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A23 positive control 0.073 -0.313 -11.88 0.071 -0.284 -11.45 -16.497 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 A24 positive control 0.074 -0.312 -11.84 0.072 -0.283 -11.41 -16.4416 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B01 mock treatment 0.396 0.0104 0.39 0.379 0.0239 0.96 0.9584 0.9223 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B02 mock treatment 0.379 -0.00664 -0.25 0.365 0.00987 0.4 0.1027 0.2181 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B03 compound treatment 0.374 -0.0116 -0.44 0.377 0.0219 0.88 0.3103 0.3147 696 NINDS_000021 Oc1cccc2Cc3cccc(O)c3C(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B04 compound treatment 0.379 -0.00664 -0.25 0.363 0.00787 0.32 0.0457 0.1129 697 NINDS_000022 Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B05 compound treatment 0.365 -0.0206 -0.78 0.353 -0.00213 -0.09 -0.6154 -0.7799 351 NINDS_000023 CC(C)NCC(O)COc1cccc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B06 compound treatment 0.363 -0.0226 -0.86 0.363 0.00787 0.32 -0.3842 -0.419 698 NINDS_000024 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B07 compound treatment 0.368 -0.0176 -0.67 0.37 0.0149 0.6 -0.0504 -0.056 699 NINDS_000025 OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B08 compound treatment 0.388 0.00236 0.09 0.372 0.0169 0.68 0.544 0.7935 700 NINDS_000026 CN1C2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B09 compound treatment 0.375 -0.0106 -0.4 0.371 0.0159 0.64 0.1662 0.2197 701 NINDS_000027 Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B10 compound treatment 0.37 -0.0156 -0.59 0.378 0.0229 0.92 0.2313 0.2109 702 NINDS_000028 CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C)C(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B11 compound treatment 0.369 -0.0166 -0.63 0.381 0.0259 1.04 0.2899 0.2378 3104621 NINDS_000029 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@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C1)[C@H]2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B12 compound treatment 0.369 -0.0166 -0.63 0.375 0.0199 0.8 0.119 0.1166 703 NINDS_000030 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B13 compound treatment 0.374 -0.0116 -0.44 0.357 0.00187 0.08 -0.2596 -0.5786 704 NINDS_000031 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B14 compound treatment 0.37 -0.0156 -0.59 0.367 0.0119 0.48 -0.0821 -0.1077 3044607 NINDS_000032 Oc1cc2C(=O)Cc3c(O)c(O)cc4c(=O)oc(c1O)c2c34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B15 compound treatment 0.366 -0.0196 -0.75 0.365 0.00987 0.4 -0.2466 -0.2916 705 NINDS_000033 CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B16 compound treatment 0.363 -0.0226 -0.86 0.369 0.0139 0.56 -0.2132 -0.2079 404 NINDS_000034 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B17 compound treatment 0.375 -0.0106 -0.4 0.366 0.0109 0.44 0.0237 0.0398 706 NINDS_000035 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B18 compound treatment 0.365 -0.0206 -0.78 0.368 0.0129 0.52 -0.188 -0.1999 707 NINDS_000036 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](CCC6C5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B19 compound treatment 0.365 -0.0206 -0.78 0.365 0.00987 0.4 -0.2735 -0.311 2080198 NINDS_000037 CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B20 compound treatment 0.37 -0.0156 -0.59 0.368 0.0129 0.52 -0.0536 -0.068 708 NINDS_000038 C1CNCCN1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B21 compound treatment 0.369 -0.0166 -0.63 0.356 8.67E-4 0.03 -0.4224 -0.667 709 NINDS_000039 COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B22 compound treatment 0.371 -0.0146 -0.56 0.358 0.00287 0.12 -0.3117 -0.5486 710 NINDS_000040 CC(=O)OCC1=C(N2C(SC1)[C@H](NC(=O)CCCC(N)C(=O)O)C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B23 positive control 0.074 -0.312 -11.84 0.072 -0.283 -11.41 -16.4416 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 B24 positive control 0.074 -0.312 -11.84 0.072 -0.283 -11.41 -16.4416 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C01 mock treatment 0.39 0.00436 0.17 0.373 0.0179 0.72 0.6263 0.8477 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C02 mock treatment 0.383 -0.00264 -0.1 0.357 0.00187 0.08 -0.0178 -0.1416 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C03 compound treatment 0.374 -0.0116 -0.44 0.358 0.00287 0.12 -0.2311 -0.5055 711 NINDS_000041 Oc1cccc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C04 compound treatment 0.391 0.00536 0.2 0.364 0.00887 0.36 0.3967 0.9645 712 NINDS_000042 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C05 compound treatment 0.372 -0.0136 -0.52 0.354 -0.00113 -0.05 -0.3988 -0.7664 43 NINDS_000043 Fc1ccc(cc1)C(N2CCN(C/C=C/c3ccccc3)CC2)c4ccc(F)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C06 compound treatment 0.366 -0.0196 -0.75 0.36 0.00487 0.2 -0.3891 -0.5042 3173091 NINDS_000044 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)C(O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C07 compound treatment 0.373 -0.0126 -0.48 0.365 0.00987 0.4 -0.0585 -0.0938 714 NINDS_000045 CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C08 compound treatment 0.372 -0.0136 -0.52 0.369 0.0139 0.56 0.0286 0.0375 715 NINDS_000046 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C09 compound treatment 0.369 -0.0166 -0.63 0.369 0.0139 0.56 -0.052 -0.0616 716 NINDS_000047 CN(C)CCC=C1c2ccccc2C=Cc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C10 compound treatment 0.371 -0.0146 -0.56 0.366 0.0109 0.44 -0.0838 -0.1183 717 NINDS_000048 OC(=O)c1ccccc1OP(=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C11 compound treatment 0.362 -0.0236 -0.9 0.365 0.00987 0.4 -0.3541 -0.3604 3173092 NINDS_000049 CN(C)CCOC(c1ccccc1)c2ccccc2.Cn1c(=O)n(C)c2nc(Cl)[nH]c2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C12 compound treatment 0.366 -0.0196 -0.75 0.363 0.00787 0.32 -0.3036 -0.3744 2080598 NINDS_000050 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C13 compound treatment 0.359 -0.0266 -1.01 0.366 0.0109 0.44 -0.4062 -0.3683 370 NINDS_000051 O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C14 compound treatment 0.375 -0.0106 -0.4 0.368 0.0129 0.52 0.0807 0.1228 718 NINDS_000052 Cn1c(=O)n(C)c2ncn(CCO)c2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C15 compound treatment 0.358 -0.0276 -1.05 0.364 0.00887 0.36 -0.4901 -0.4417 719 NINDS_000053 CN(CC#C)Cc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C16 compound treatment 0.366 -0.0196 -0.75 0.362 0.00687 0.28 -0.3321 -0.4172 720 NINDS_000054 Fc1c[nH]c(=O)[nH]c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C17 compound treatment 0.367 -0.0186 -0.71 0.367 0.0119 0.48 -0.1627 -0.1904 721 NINDS_000055 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C18 compound treatment 0.366 -0.0196 -0.75 0.365 0.00987 0.4 -0.2466 -0.2916 722 NINDS_000056 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C19 compound treatment 0.362 -0.0236 -0.9 0.364 0.00887 0.36 -0.3826 -0.3957 723 NINDS_000057 CC(C)NCC(O)COc1ccc(CC(=O)N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C20 compound treatment 0.365 -0.0206 -0.78 0.366 0.0109 0.44 -0.245 -0.2727 724 NINDS_000058 CCn1cc(C(=O)O)c(=O)c2ccc(C)nc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C21 compound treatment 0.358 -0.0276 -1.05 0.365 0.00987 0.4 -0.4616 -0.411 725 NINDS_000059 CC(=C)[C@@H]1CCC(=CC1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C22 compound treatment 0.372 -0.0136 -0.52 0.365 0.00987 0.4 -0.0854 -0.1307 726 NINDS_000060 CCOC(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C23 positive control 0.075 -0.311 -11.8 0.072 -0.283 -11.41 -16.4148 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 C24 positive control 0.077 -0.309 -11.73 0.074 -0.281 -11.33 -16.304 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D01 mock treatment 0.417 0.0314 1.19 0.373 0.0179 0.72 1.3518 0.9709 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D02 mock treatment 0.374 -0.0116 -0.44 0.352 -0.00313 -0.13 -0.4021 -0.874 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D03 compound treatment 0.373 -0.0126 -0.48 0.346 -0.00913 -0.37 -0.5999 -0.9914 727 NINDS_000061 CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D04 compound treatment 0.371 -0.0146 -0.56 0.352 -0.00313 -0.13 -0.4827 -0.8461 3273 NINDS_000062 NNCCc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D05 compound treatment 0.362 -0.0236 -0.9 0.361 0.00587 0.24 -0.4681 -0.5039 728 NINDS_000063 Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D06 compound treatment 0.367 -0.0186 -0.71 0.366 0.0109 0.44 -0.1912 -0.2296 729 NINDS_000064 OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D07 compound treatment 0.377 -0.00864 -0.33 0.36 0.00487 0.2 -0.0935 -0.2445 3173210 NINDS_000065 CO/N=C(\C(=O)NC1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nc(=O)c(=O)[nH]n3C)/c4csc(N)n4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D08 compound treatment 0.355 -0.0306 -1.16 0.34 -0.0151 -0.61 -1.2545 -0.9545 731 NINDS_000066 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D09 compound treatment 0.435 0.0494 1.88 0.434 0.0789 3.18 3.5736 0.9684 732 NINDS_000067 Oc1cc(cc([N+](=O)[O-])c1O)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D10 compound treatment 0.379 -0.00664 -0.25 0.385 0.0299 1.2 0.6726 0.547 733 NINDS_000068 CC1(CC2CC3(C)C1)CC(N)(C2)C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D11 compound treatment 0.368 -0.0176 -0.67 0.371 0.0159 0.64 -0.0219 -0.0236 734 NINDS_000069 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D12 compound treatment 0.363 -0.0226 -0.86 0.359 0.00387 0.16 -0.4982 -0.5698 735 NINDS_000070 NNC(=O)c1ccncc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D13 compound treatment 0.381 -0.00464 -0.18 0.374 0.0189 0.76 0.4129 0.5291 736 NINDS_000071 COC(=O)C(N)CS 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D14 compound treatment 0.372 -0.0136 -0.52 0.366 0.0109 0.44 -0.0569 -0.0838 737 NINDS_000072 c1nc(cs1)c2nc3ccccc3[nH]2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D15 compound treatment 0.364 -0.0216 -0.82 0.363 0.00787 0.32 -0.3573 -0.4054 738 NINDS_000073 CC(=O)Nc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D16 compound treatment 0.375 -0.0106 -0.4 0.363 0.00787 0.32 -0.0618 -0.1202 1000104 NINDS_000074 Cc1c(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D17 compound treatment 0.36 -0.0256 -0.97 0.365 0.00987 0.4 -0.4078 -0.3875 740 NINDS_000075 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D18 compound treatment 0.36 -0.0256 -0.97 0.372 0.0169 0.68 -0.2084 -0.1754 741 NINDS_000076 Cc1ccccc1OCC(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D19 compound treatment 0.367 -0.0186 -0.71 0.378 0.0229 0.92 0.1507 0.1297 742 NINDS_000077 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)C2[C@H](O)C[C@H]4/C(=C(/CCC=C(C)C)\C(=O)O)/[C@H](C[C@@]43C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D20 compound treatment 0.374 -0.0116 -0.44 0.368 0.0129 0.52 0.0538 0.079 743 NINDS_000078 CC(C)(C)NCC(O)c1cc(O)cc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D21 compound treatment 0.384 -0.00164 -0.06 0.394 0.0389 1.57 1.0634 0.6784 26 NINDS_000079 CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D22 compound treatment 0.364 -0.0216 -0.82 0.354 -0.00113 -0.05 -0.6138 -0.7452 449 NINDS_000080 CC1=CC(=O)c2ccccc2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D23 positive control 0.077 -0.309 -11.73 0.072 -0.283 -11.41 -16.361 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 D24 positive control 0.078 -0.308 -11.69 0.074 -0.281 -11.33 -16.2772 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E01 mock treatment 0.42 0.0344 1.31 0.378 0.0229 0.92 1.5748 0.9854 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E02 mock treatment 0.387 0.00136 0.05 0.358 0.00287 0.12 0.1182 0.9342 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E03 compound treatment 0.396 0.0104 0.39 0.365 0.00987 0.4 0.5595 1.0 744 NINDS_000081 Cn1cnc2[nH]c(=O)n(C)c(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E04 compound treatment 0.398 0.0124 0.47 0.367 0.0119 0.48 0.6703 1.0 745 NINDS_000082 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E05 compound treatment 0.391 0.00536 0.2 0.364 0.00887 0.36 0.3967 0.9645 746 NINDS_000083 C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E06 compound treatment 0.387 0.00136 0.05 0.374 0.0189 0.76 0.5741 0.7534 747 NINDS_000084 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E07 compound treatment 0.38 -0.00564 -0.21 0.375 0.0199 0.8 0.4145 0.5002 3043753 NINDS_000085 [O-][N+](=O)c1ccc(/C=N/N2CCOC2=O)o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E08 compound treatment 0.388 0.00236 0.09 0.375 0.0199 0.8 0.6295 0.7814 749 NINDS_000086 NC(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E09 compound treatment 0.382 -0.00364 -0.14 0.381 0.0259 1.04 0.6392 0.6079 750 NINDS_000087 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OC2[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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E10 compound treatment 0.377 -0.00864 -0.33 0.379 0.0239 0.96 0.4479 0.4407 751 NINDS_000088 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E11 compound treatment 0.373 -0.0126 -0.48 0.38 0.0249 1.0 0.3689 0.332 752 NINDS_000089 CC1CCc2cc(F)cc3c(=O)c(cn1c23)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E12 compound treatment 0.374 -0.0116 -0.44 0.373 0.0179 0.72 0.1963 0.2323 753 NINDS_000090 O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E13 compound treatment 0.377 -0.00864 -0.33 0.369 0.0139 0.56 0.163 0.2514 3173213 NINDS_000091 COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)C(O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E14 compound treatment 0.367 -0.0186 -0.71 0.372 0.0169 0.68 -0.0203 -0.0207 1000105 NINDS_000092 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E15 compound treatment 0.382 -0.00364 -0.14 0.378 0.0229 0.92 0.5538 0.5943 755 NINDS_000093 CC(CN(C)C)CN1c2ccccc2CCc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E16 compound treatment 0.372 -0.0136 -0.52 0.367 0.0119 0.48 -0.0284 -0.0403 756 NINDS_000094 CCCCCCc1ccc(O)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E17 compound treatment 0.371 -0.0146 -0.56 0.377 0.0219 0.88 0.2297 0.2204 757 NINDS_000095 OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E18 compound treatment 0.369 -0.0166 -0.63 0.373 0.0179 0.72 0.062 0.0647 758 NINDS_000096 CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E19 compound treatment 0.375 -0.0106 -0.4 0.374 0.0189 0.76 0.2517 0.2923 759 NINDS_000097 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E20 compound treatment 0.377 -0.00864 -0.33 0.373 0.0179 0.72 0.2769 0.35 760 NINDS_000098 N[C@@H]1CONC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E21 compound treatment 0.374 -0.0116 -0.44 0.376 0.0209 0.84 0.2818 0.2966 3173215 NINDS_000099 Cc1onc(c1C(=O)NC2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E22 compound treatment 0.382 -0.00364 -0.14 0.369 0.0139 0.56 0.2973 0.5165 762 NINDS_000100 COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E23 positive control 0.077 -0.309 -11.73 0.072 -0.283 -11.41 -16.361 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 E24 positive control 0.08 -0.306 -11.61 0.077 -0.278 -11.21 -16.1379 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F01 mock treatment 0.425 0.0394 1.5 0.372 0.0169 0.68 1.5382 0.9363 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F02 mock treatment 0.361 -0.0246 -0.94 0.348 -0.00713 -0.29 -0.8654 -0.8835 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F03 compound treatment 0.424 0.0384 1.46 0.365 0.00987 0.4 1.3119 0.8683 763 NINDS_000101 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F04 compound treatment 0.396 0.0104 0.39 0.37 0.0149 0.6 0.702 0.9793 382 NINDS_000102 NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F05 compound treatment 0.385 -6.4E-4 -0.02 0.355 -1.33E-4 -0.01 -0.021 -0.843 764 NINDS_000103 Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)n3c(=O)[nH]c4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F06 compound treatment 0.38 -0.00564 -0.21 0.372 0.0169 0.68 0.329 0.4617 765 NINDS_000104 Oc1ccnc(S)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F07 compound treatment 0.373 -0.0126 -0.48 0.369 0.0139 0.56 0.0555 0.0753 766 NINDS_000105 CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F08 compound treatment 0.368 -0.0176 -0.67 0.357 0.00187 0.08 -0.4208 -0.6238 767 NINDS_000106 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F09 compound treatment 0.368 -0.0176 -0.67 0.374 0.0189 0.76 0.0636 0.0627 768 NINDS_000107 C[N+](C)(C)CCO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F10 compound treatment 0.387 0.00136 0.05 0.367 0.0119 0.48 0.3747 0.779 769 NINDS_000108 CCCCOc1ccc(CC(=O)NO)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F11 compound treatment 0.373 -0.0126 -0.48 0.365 0.00987 0.4 -0.0585 -0.0938 770 NINDS_000109 CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F12 compound treatment 0.38 -0.00564 -0.21 0.346 -0.00913 -0.37 -0.4118 -0.9669 1000048 NINDS_000110 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F13 compound treatment 0.356 -0.0296 -1.13 0.369 0.0139 0.56 -0.4013 -0.3192 771 NINDS_000111 CN1CCC(=C2c3ccsc3C(=O)Cc4ccccc24)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F14 compound treatment 0.386 3.6E-4 0.01 0.37 0.0149 0.6 0.4333 0.7231 772 NINDS_000112 CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F15 compound treatment 0.382 -0.00364 -0.14 0.343 -0.0121 -0.49 -0.4435 -0.8729 773 NINDS_000113 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F16 compound treatment 0.392 0.00636 0.24 0.382 0.0269 1.08 0.9364 0.8442 464 NINDS_000114 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F17 compound treatment 0.369 -0.0166 -0.63 0.37 0.0149 0.6 -0.0235 -0.027 774 NINDS_000115 OC(=O)C1=CCNCC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F18 compound treatment 0.369 -0.0166 -0.63 0.373 0.0179 0.72 0.062 0.0647 775 NINDS_000116 NCC(O)CC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F19 compound treatment 0.368 -0.0176 -0.67 0.364 0.00887 0.36 -0.2214 -0.2914 776 NINDS_000117 NNc1nncc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F20 compound treatment 0.371 -0.0146 -0.56 0.365 0.00987 0.4 -0.1122 -0.1642 777 NINDS_000118 Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F21 compound treatment 0.365 -0.0206 -0.78 0.346 -0.00913 -0.37 -0.8149 -0.9405 778 NINDS_000119 Oc1c(I)cc(I)c2cccnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F22 compound treatment 0.376 -0.00964 -0.37 0.368 0.0129 0.52 0.1076 0.1695 779 NINDS_000120 CCN(CC)CCOC(=O)c1ccc(N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F23 positive control 0.079 -0.307 -11.65 0.072 -0.283 -11.41 -16.3073 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 F24 positive control 0.081 -0.305 -11.58 0.075 -0.28 -11.29 -16.1681 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G01 mock treatment 0.395 0.00936 0.36 0.371 0.0159 0.64 0.7036 0.9617 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G02 mock treatment 0.388 0.00236 0.09 0.352 -0.00313 -0.13 -0.0259 -0.167 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G03 compound treatment 0.394 0.00836 0.32 0.355 -1.33E-4 -0.01 0.2208 0.695 780 NINDS_000121 CC(C)NNC(=O)c1ccncc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G04 compound treatment 0.403 0.0174 0.66 0.351 -0.00413 -0.17 0.3487 0.5125 3173217 NINDS_000122 CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@@H]1[C@@]3(C5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)C5[C@]4(OC(=O)C)[C@@H](O)[C@@H]6OC)C(C[C@H]2O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G05 compound treatment 0.392 0.00636 0.24 0.355 -1.33E-4 -0.01 0.1671 0.6912 782 NINDS_000123 CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@@]2(O1)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G06 compound treatment 0.371 -0.0146 -0.56 0.357 0.00187 0.08 -0.3402 -0.606 783 NINDS_000124 CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]2Cc4cn(C)c5cccc1c45 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G07 compound treatment 0.382 -0.00364 -0.14 0.362 0.00687 0.28 0.0978 0.3163 784 NINDS_000125 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G08 compound treatment 0.383 -0.00264 -0.1 0.359 0.00387 0.16 0.0392 0.2117 785 NINDS_000126 CC(CC(O)c1ccc(O)cc1)NCc2ccc(O)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G09 compound treatment 0.38 -0.00564 -0.21 0.36 0.00487 0.2 -0.0129 -0.0443 786 NINDS_000127 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G10 compound treatment 0.402 0.0164 0.62 0.381 0.0259 1.04 1.1767 0.9695 1981222 NINDS_000128 CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G11 compound treatment 0.38 -0.00564 -0.21 0.365 0.00987 0.4 0.1296 0.2869 382 NINDS_000129 NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G12 compound treatment 0.38 -0.00564 -0.21 0.375 0.0199 0.8 0.4145 0.5002 1000106 NINDS_000130 O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G13 compound treatment 0.375 -0.0106 -0.4 0.364 0.00887 0.36 -0.0333 -0.0616 789 NINDS_000131 C[N+]1(C)C2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G14 compound treatment 0.372 -0.0136 -0.52 0.373 0.0179 0.72 0.1426 0.1607 790 NINDS_000132 COc1ccc2[C@@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G15 compound treatment 0.374 -0.0116 -0.44 0.37 0.0149 0.6 0.1108 0.1488 791 NINDS_000133 CC(C)Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G16 compound treatment 0.378 -0.00764 -0.29 0.361 0.00587 0.24 -0.0381 -0.1018 792 NINDS_000134 COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G17 compound treatment 0.371 -0.0146 -0.56 0.369 0.0139 0.56 0.0017 0.0022 793 NINDS_000135 CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G18 compound treatment 0.369 -0.0166 -0.63 0.372 0.0169 0.68 0.0335 0.0361 794 NINDS_000136 Nc1cc(c[nH]c1=O)c2ccncc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G19 compound treatment 0.362 -0.0236 -0.9 0.368 0.0129 0.52 -0.2686 -0.259 795 NINDS_000137 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G20 compound treatment 0.371 -0.0146 -0.56 0.372 0.0169 0.68 0.0872 0.0993 796 NINDS_000138 Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G21 compound treatment 0.367 -0.0186 -0.71 0.366 0.0109 0.44 -0.1912 -0.2296 797 NINDS_000139 CC[C@]1(CC[C@@H](O1)[C@]2(C)CCC3(C[C@H](O)[C@@H](C)[C@H](O3)[C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O2)C4O[C@H](C[C@@H]4C)C5O[C@@](O)(CC)[C@H](C)C[C@@H]5C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G22 compound treatment 0.363 -0.0226 -0.86 0.361 0.00587 0.24 -0.4412 -0.4945 798 NINDS_000140 CCCCCCOc1ccccc1C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G23 positive control 0.078 -0.308 -11.69 0.073 -0.282 -11.37 -16.3057 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 G24 positive control 0.081 -0.305 -11.58 0.075 -0.28 -11.29 -16.1681 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H01 mock treatment 0.432 0.0464 1.76 0.376 0.0209 0.84 1.8403 0.9427 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H02 mock treatment 0.396 0.0104 0.39 0.362 0.00687 0.28 0.474 0.9851 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H03 compound treatment 0.368 -0.0176 -0.67 0.364 0.00887 0.36 -0.2214 -0.2914 799 NINDS_000141 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H04 compound treatment 0.395 0.00936 0.36 0.366 0.0109 0.44 0.5611 0.9947 800 NINDS_000142 C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H05 compound treatment 0.402 0.0164 0.62 0.354 -0.00113 -0.05 0.4073 0.6534 801 NINDS_000143 CN(C)CC/C=C/1\c2ccccc2Sc3ccc(Cl)cc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H06 compound treatment 0.396 0.0104 0.39 0.371 0.0159 0.64 0.7305 0.9729 802 NINDS_000144 Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H07 compound treatment 0.385 -6.4E-4 -0.02 0.388 0.0329 1.32 0.9193 0.694 803 NINDS_000145 CCc1cc(ccn1)C(=S)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H08 compound treatment 0.388 0.00236 0.09 0.38 0.0249 1.0 0.772 0.7673 804 NINDS_000146 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H09 compound treatment 0.398 0.0124 0.47 0.38 0.0249 1.0 1.0407 0.9404 805 NINDS_000147 CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H10 compound treatment 0.44 0.0544 2.07 0.458 0.103 4.15 4.3918 0.9483 806 NINDS_000148 OC(=O)C1CCCNC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H11 compound treatment 0.4 0.0144 0.55 0.376 0.0209 0.84 0.9804 0.9781 807 NINDS_000149 CCCc1ncc(C[n+]2ccccc2C)c(N)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H12 compound treatment 0.388 0.00236 0.09 0.386 0.0309 1.24 0.9429 0.7561 1000107 NINDS_000150 CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21C)C#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H13 compound treatment 0.395 0.00936 0.36 0.356 8.67E-4 0.03 0.2762 0.7728 809 NINDS_000151 CNCCC=C1c2ccccc2CCc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H14 compound treatment 0.405 0.0194 0.74 0.387 0.0319 1.28 1.4282 0.9651 810 NINDS_000152 CCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H15 compound treatment 0.388 0.00236 0.09 0.372 0.0169 0.68 0.544 0.7935 811 NINDS_000153 CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H16 compound treatment 0.383 -0.00264 -0.1 0.373 0.0179 0.72 0.4382 0.6028 812 NINDS_000154 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H17 compound treatment 0.405 0.0194 0.74 0.396 0.0409 1.65 1.6847 0.934 813 NINDS_000155 CC(=O)O[C@H]1CCC2C3CCc4cc(OC(=O)C)ccc4C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H18 compound treatment 0.378 -0.00764 -0.29 0.372 0.0169 0.68 0.2753 0.3725 814 NINDS_000156 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H19 compound treatment 0.369 -0.0166 -0.63 0.371 0.0159 0.64 0.005 0.0055 815 NINDS_000157 CCN(CC)C(=O)c1cccc(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H20 compound treatment 0.382 -0.00364 -0.14 0.376 0.0209 0.84 0.4968 0.583 816 NINDS_000158 Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H21 compound treatment 0.376 -0.00964 -0.37 0.377 0.0219 0.88 0.364 0.3815 3173342 NINDS_000159 CO/N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)\c3ccco3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H22 compound treatment 0.374 -0.0116 -0.44 0.376 0.0209 0.84 0.2818 0.2966 82 NINDS_000160 Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H23 positive control 0.079 -0.307 -11.65 0.075 -0.28 -11.29 -16.2218 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 H24 positive control 0.082 -0.304 -11.54 0.077 -0.278 -11.21 -16.0842 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I01 mock treatment 0.41 0.0244 0.93 0.37 0.0149 0.6 1.0782 0.9778 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I02 mock treatment 0.397 0.0114 0.43 0.357 0.00187 0.08 0.3584 0.818 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I03 compound treatment 0.394 0.00836 0.32 0.363 0.00787 0.32 0.4488 1.0 818 NINDS_000161 CCC1(CC)C(=O)NC=CC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I04 compound treatment 0.384 -0.00164 -0.06 0.356 8.67E-4 0.03 -0.0194 -0.2712 819 NINDS_000162 CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I05 compound treatment 0.399 0.0134 0.51 0.364 0.00887 0.36 0.6116 0.9852 820 NINDS_000163 Oc1ccc(Cl)c2cccnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I06 compound treatment 0.38 -0.00564 -0.21 0.364 0.00887 0.36 0.1011 0.2426 821 NINDS_000164 O=C1NS(=O)(=O)c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I07 compound treatment 0.399 0.0134 0.51 0.383 0.0279 1.12 1.153 0.9356 822 NINDS_000165 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I08 compound treatment 0.393 0.00736 0.28 0.378 0.0229 0.92 0.8493 0.882 2081029 NINDS_000166 CN/C(=N\C#N)/NCCSCc1nc[nH]c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I09 compound treatment 0.397 0.0114 0.43 0.372 0.0169 0.68 0.7859 0.976 824 NINDS_000167 CC[C@]1(CCCN2CCc3c4[C@@H]21)C[C@@](O)(C(=O)OC)n4c5ccccc35 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I10 compound treatment 0.39 0.00436 0.17 0.37 0.0149 0.6 0.5408 0.87 825 NINDS_000168 CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I11 compound treatment 0.402 0.0164 0.62 0.394 0.0389 1.57 1.5471 0.9181 826 NINDS_000169 CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I12 compound treatment 0.427 0.0414 1.57 0.395 0.0399 1.61 2.2473 0.9999 1000036 NINDS_000170 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC4NCCc5cc(OC)c(OC)cc45 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I13 compound treatment 0.407 0.0214 0.81 0.387 0.0319 1.28 1.482 0.9755 827 NINDS_000171 CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I14 compound treatment 0.406 0.0204 0.77 0.404 0.0489 1.97 1.9395 0.9167 3173346 NINDS_000172 CC[C@H](C1OC(CC)(C[C@@H]1C)C2CC[C@](O)(CC)[C@H](C)O2)C(=O)C(C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I15 compound treatment 0.383 -0.00264 -0.1 0.376 0.0209 0.84 0.5236 0.6184 829 NINDS_000173 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I16 compound treatment 0.384 -0.00164 -0.06 0.375 0.0199 0.8 0.522 0.6501 362 NINDS_000174 CCN(CC)CC(=O)Nc1c(C)cccc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I17 compound treatment 0.391 0.00536 0.2 0.364 0.00887 0.36 0.3967 0.9645 830 NINDS_000175 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I18 compound treatment 0.382 -0.00364 -0.14 0.367 0.0119 0.48 0.2403 0.4828 831 NINDS_000176 Nc1nccs1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I19 compound treatment 0.376 -0.00964 -0.37 0.384 0.0289 1.16 0.5635 0.462 832 NINDS_000177 CCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C3CCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I20 compound treatment 0.384 -0.00164 -0.06 0.377 0.0219 0.88 0.579 0.6555 833 NINDS_000178 CC(C)(C)NC[C@@H](O)COc1nsnc1N2CCOCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I21 compound treatment 0.381 -0.00464 -0.18 0.374 0.0189 0.76 0.4129 0.5291 834 NINDS_000179 CC(C[N+](C)(C)C)OC(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I22 compound treatment 0.381 -0.00464 -0.18 0.375 0.0199 0.8 0.4414 0.5385 835 NINDS_000180 CC(=O)OC1CN2CCC1CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I23 positive control 0.082 -0.304 -11.54 0.073 -0.282 -11.37 -16.1982 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 I24 positive control 0.085 -0.301 -11.42 0.077 -0.278 -11.21 -16.0036 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J01 mock treatment 0.429 0.0434 1.65 0.351 -0.00413 -0.17 1.0473 0.6324 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J02 mock treatment 0.361 -0.0246 -0.94 0.351 -0.00413 -0.17 -0.7799 -0.82 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J03 compound treatment 0.388 0.00236 0.09 0.357 0.00187 0.08 0.1166 0.9962 836 NINDS_000181 CNC(C)C(O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J04 compound treatment 0.366 -0.0196 -0.75 0.359 0.00387 0.16 -0.4176 -0.5477 1000042 NINDS_000182 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J05 compound treatment 0.369 -0.0166 -0.63 0.359 0.00387 0.16 -0.337 -0.5174 837 NINDS_000183 CCOc1ccc2NC(C)(C)C=C(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J06 compound treatment 0.371 -0.0146 -0.56 0.36 0.00487 0.2 -0.2547 -0.4318 838 NINDS_000184 COc1ccc(C(=O)c2ccccc2)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J07 compound treatment 0.377 -0.00864 -0.33 0.366 0.0109 0.44 0.0775 0.1415 839 NINDS_000185 Nc1nc2n(COCCO)cnc2c(=O)[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J08 compound treatment 0.397 0.0114 0.43 0.376 0.0209 0.84 0.8998 0.952 840 NINDS_000186 CCOc1ccc2ccccc2c1NC(=O)[C@H]3[C@H]4SC(C)(C)C(N4C3=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J09 compound treatment 0.391 0.00536 0.2 0.372 0.0169 0.68 0.6246 0.8803 841 NINDS_000187 C/C(=C(/CCOP(=O)(O)O)\SC(=O)c1ccccc1)/N(Cc2cnc(C)nc2N)C=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J10 compound treatment 0.411 0.0254 0.96 0.378 0.0229 0.92 1.333 0.9997 842 NINDS_000188 Cn1cc[nH]c1=S 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J11 compound treatment 0.415 0.0294 1.12 0.379 0.0239 0.96 1.469 0.9973 1000108 NINDS_000189 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J12 compound treatment 0.376 -0.00964 -0.37 0.369 0.0139 0.56 0.1361 0.2037 844 NINDS_000190 CNCCCN1c2ccccc2CCc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J13 compound treatment 0.39 0.00436 0.17 0.377 0.0219 0.88 0.7402 0.8256 1000109 NINDS_000191 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J14 compound treatment 0.416 0.0304 1.15 0.384 0.0289 1.16 1.6383 1.0 846 NINDS_000192 Cc1nc2sccn2c(=O)c1CCN3CCC(=C(c4ccc(F)cc4)c5ccc(F)cc5)CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J15 compound treatment 0.401 0.0154 0.58 0.389 0.0339 1.36 1.3777 0.9282 847 NINDS_000193 CC(=CCC/C(=C/CO)/C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J16 compound treatment 0.378 -0.00764 -0.29 0.376 0.0209 0.84 0.3893 0.4376 848 NINDS_000194 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J17 compound treatment 0.41 0.0244 0.93 0.386 0.0309 1.24 1.5341 0.9894 3045136 NINDS_000195 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)C(CCC3C[C@@H](O)CC(=O)O3)[C@@H]12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J18 compound treatment 0.378 -0.00764 -0.29 0.377 0.0219 0.88 0.4178 0.4503 850 NINDS_000196 Clc1cccc(c1)N2CCN(CCCn3nc4ccccn4c3=O)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J19 compound treatment 0.384 -0.00164 -0.06 0.381 0.0259 1.04 0.693 0.6636 1635952 NINDS_000197 Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(O)c4ccccc4)C3=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J20 compound treatment 0.381 -0.00464 -0.18 0.505 0.15 6.04 4.1456 0.6862 822 NINDS_000198 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J21 compound treatment 0.409 0.0234 0.89 0.401 0.0459 1.85 1.9346 0.9435 852 NINDS_000199 CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J22 compound treatment 0.374 -0.0116 -0.44 0.372 0.0169 0.68 0.1678 0.207 1000110 NINDS_000200 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J23 positive control 0.082 -0.304 -11.54 0.077 -0.278 -11.21 -16.0842 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 J24 positive control 0.084 -0.302 -11.46 0.078 -0.277 -11.17 -16.002 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K01 mock treatment 0.411 0.0254 0.96 0.36 0.00487 0.2 0.8201 0.8339 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K02 mock treatment 0.374 -0.0116 -0.44 0.342 -0.0131 -0.53 -0.687 -0.996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K03 compound treatment 0.357 -0.0286 -1.09 0.348 -0.00713 -0.29 -0.9728 -0.8642 3045140 NINDS_000201 CC(C)[N+]1(C)C2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K04 compound treatment 0.361 -0.0246 -0.94 0.349 -0.00613 -0.25 -0.8369 -0.8642 3173462 NINDS_000202 C[C@H](COc1ccccc1)N[C@@H](C)[C@H](O)c2ccc(O)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K05 compound treatment 0.391 0.00536 0.2 0.443 0.0879 3.54 2.6477 0.7465 856 NINDS_000203 Cn1c(=O)n(C)c2nc[nH]c2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K06 compound treatment 0.376 -0.00964 -0.37 0.358 0.00287 0.12 -0.1774 -0.4617 857 NINDS_000204 O=C(OCc1ccccc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K07 compound treatment 0.378 -0.00764 -0.29 0.364 0.00887 0.36 0.0474 0.1029 858 NINDS_000205 OCC(O)CN1CCN(CC1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K08 compound treatment 0.397 0.0114 0.43 0.37 0.0149 0.6 0.7289 0.9871 859 NINDS_000206 CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)C3CC[C@@]21C)C(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K09 compound treatment 0.377 -0.00864 -0.33 0.385 0.0299 1.2 0.6189 0.4961 860 NINDS_000207 CN(C)C(=O)Oc1ccc[n+](C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K10 compound treatment 0.432 0.0464 1.76 0.382 0.0269 1.08 2.0113 0.9727 861 NINDS_000208 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K11 compound treatment 0.379 -0.00664 -0.25 0.366 0.0109 0.44 0.1312 0.2596 862 NINDS_000209 CCCCCCCCCCCCCCCC[N+](C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K12 compound treatment 0.397 0.0114 0.43 0.354 -0.00113 -0.05 0.273 0.6288 863 NINDS_000210 CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K13 compound treatment 0.388 0.00236 0.09 0.374 0.0189 0.76 0.601 0.7851 864 NINDS_000211 Oc1noc2CNCCc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K14 compound treatment 0.38 -0.00564 -0.21 0.378 0.0229 0.92 0.5 0.5285 196 NINDS_000212 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K15 compound treatment 0.396 0.0104 0.39 0.377 0.0219 0.88 0.9015 0.934 865 NINDS_000213 Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K16 compound treatment 0.384 -0.00164 -0.06 0.373 0.0179 0.72 0.465 0.6435 866 NINDS_000214 Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K17 compound treatment 0.389 0.00336 0.13 0.378 0.0229 0.92 0.7418 0.7975 80 NINDS_000215 CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K18 compound treatment 0.386 3.6E-4 0.01 0.372 0.0169 0.68 0.4903 0.7212 867 NINDS_000216 Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K19 compound treatment 0.382 -0.00364 -0.14 0.375 0.0199 0.8 0.4683 0.5764 868 NINDS_000217 CNC1(CCCCC1=O)c2ccccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K20 compound treatment 0.379 -0.00664 -0.25 0.38 0.0249 1.0 0.5301 0.513 869 NINDS_000218 CCC1(C)CC(=O)NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K21 compound treatment 0.38 -0.00564 -0.21 0.377 0.0219 0.88 0.4715 0.52 870 NINDS_000219 OC(=O)/C(=C/c1ccc(O)cc1)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K22 compound treatment 0.375 -0.0106 -0.4 0.363 0.00787 0.32 -0.0618 -0.1202 871 NINDS_000220 Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K23 positive control 0.084 -0.302 -11.46 0.079 -0.276 -11.13 -15.9735 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 K24 positive control 0.086 -0.3 -11.39 0.08 -0.275 -11.09 -15.8912 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L01 mock treatment 0.382 -0.00364 -0.14 0.348 -0.00713 -0.29 -0.3011 -0.9438 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L02 mock treatment 0.356 -0.0296 -1.13 0.332 -0.0231 -0.93 -1.4556 -0.9956 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L03 compound treatment 0.34 -0.0456 -1.73 0.343 -0.0121 -0.49 -1.5721 -0.8724 872 NINDS_000221 CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L04 compound treatment 0.353 -0.0326 -1.24 0.338 -0.0171 -0.69 -1.3653 -0.9617 873 NINDS_000222 Nc1nc(=O)c2N(C=O)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L05 compound treatment 0.358 -0.0276 -1.05 0.342 -0.0131 -0.53 -1.1169 -0.9497 874 NINDS_000223 CC(C)CC(NC(=O)CCN)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L06 compound treatment 0.397 0.0114 0.43 0.38 0.0249 1.0 1.0138 0.9292 3173466 NINDS_000224 [O-][N+](=O)c1ccc(/C=N/N2CC(=O)NC2=O)o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L07 compound treatment 0.411 0.0254 0.96 0.394 0.0389 1.57 1.7889 0.9728 876 NINDS_000225 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L08 compound treatment 0.356 -0.0296 -1.13 0.359 0.00387 0.16 -0.6863 -0.6035 877 NINDS_000226 CC(C)(Oc1ccc(Cl)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L09 compound treatment 0.369 -0.0166 -0.63 0.362 0.00687 0.28 -0.2515 -0.3643 878 NINDS_000227 CC(=O)NS(=O)(=O)c1ccc(N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L10 compound treatment 0.386 3.6E-4 0.01 0.357 0.00187 0.08 0.0629 0.8222 3173468 NINDS_000228 COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L11 compound treatment 0.359 -0.0266 -1.01 0.371 0.0159 0.64 -0.2637 -0.2203 3263 NINDS_000229 CNC(C)(C)Cc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L12 compound treatment 0.375 -0.0106 -0.4 0.371 0.0159 0.64 0.1662 0.2197 879 NINDS_000230 NC[C@H](O)c1ccc(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L13 compound treatment 0.379 -0.00664 -0.25 0.379 0.0239 0.96 0.5016 0.5045 3045196 NINDS_000231 CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L14 compound treatment 0.377 -0.00864 -0.33 0.367 0.0119 0.48 0.106 0.1827 881 NINDS_000232 CC12C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C2CC[C@]1(O)C(=O)COP(=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L15 compound treatment 0.399 0.0134 0.51 0.369 0.0139 0.56 0.7541 0.9989 882 NINDS_000233 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L16 compound treatment 0.382 -0.00364 -0.14 0.365 0.00987 0.4 0.1833 0.4355 883 NINDS_000234 CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L17 compound treatment 0.38 -0.00564 -0.21 0.376 0.0209 0.84 0.443 0.5105 884 NINDS_000235 CN(C)CCC(c1ccccc1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L18 compound treatment 0.432 0.0464 1.76 0.401 0.0459 1.85 2.5527 0.9997 885 NINDS_000236 Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L19 compound treatment 0.371 -0.0146 -0.56 0.369 0.0139 0.56 0.0017 0.0022 886 NINDS_000237 O[C@@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L20 compound treatment 0.371 -0.0146 -0.56 0.365 0.00987 0.4 -0.1122 -0.1642 3173471 NINDS_000238 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2CC[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L21 compound treatment 0.371 -0.0146 -0.56 0.37 0.0149 0.6 0.0302 0.037 887 NINDS_000239 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L22 compound treatment 0.371 -0.0146 -0.56 0.361 0.00587 0.24 -0.2262 -0.3742 888 NINDS_000240 CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L23 positive control 0.086 -0.3 -11.39 0.078 -0.277 -11.17 -15.9482 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 L24 positive control 0.087 -0.299 -11.35 0.078 -0.277 -11.17 -15.9214 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M01 mock treatment 0.408 0.0224 0.85 0.347 -0.00813 -0.33 0.3691 0.4053 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M02 mock treatment 0.379 -0.00664 -0.25 0.328 -0.0271 -1.09 -0.9516 -0.848 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M03 compound treatment 0.369 -0.0166 -0.63 0.328 -0.0271 -1.09 -1.2203 -0.9661 889 NINDS_000241 NC(=O)c1cnccn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M04 compound treatment 0.351 -0.0346 -1.32 0.338 -0.0171 -0.69 -1.419 -0.9546 890 NINDS_000242 COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M05 compound treatment 0.388 0.00236 0.09 0.34 -0.0151 -0.61 -0.3678 -0.5967 891 NINDS_000243 CC(=O)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M06 compound treatment 0.393 0.00736 0.28 0.378 0.0229 0.92 0.8493 0.882 892 NINDS_000244 C[n+]1c2cc(N)ccc2cc3ccc(N)cc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M07 compound treatment 0.375 -0.0106 -0.4 0.345 -0.0101 -0.41 -0.5746 -1.0 893 NINDS_000245 NCC(O)c1ccc(O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M08 compound treatment 0.38 -0.00564 -0.21 0.364 0.00887 0.36 0.1011 0.2426 894 NINDS_000246 ClCCN(CCCl)P1(=O)NCCCO1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M09 compound treatment 0.382 -0.00364 -0.14 0.357 0.00187 0.08 -0.0446 -0.2834 895 NINDS_000247 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M10 compound treatment 0.371 -0.0146 -0.56 0.356 8.67E-4 0.03 -0.3687 -0.6614 896 NINDS_000248 COc1ccccc1OCC(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M11 compound treatment 0.385 -6.4E-4 -0.02 0.366 0.0109 0.44 0.2924 0.6668 897 NINDS_000249 CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M12 compound treatment 0.371 -0.0146 -0.56 0.365 0.00987 0.4 -0.1122 -0.1642 898 NINDS_000250 CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M13 compound treatment 0.388 0.00236 0.09 0.365 0.00987 0.4 0.3446 0.8454 1011303 NINDS_000251 CN1CCc2cccc-3c2C1Cc4ccc(O)c(O)c43 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M14 compound treatment 0.427 0.0414 1.57 0.424 0.0689 2.78 3.0737 0.9638 900 NINDS_000252 CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M15 compound treatment 0.396 0.0104 0.39 0.364 0.00887 0.36 0.531 0.9988 901 NINDS_000253 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M16 compound treatment 0.395 0.00936 0.36 0.362 0.00687 0.28 0.4472 0.9923 3173593 NINDS_000254 CN1CCCN=C1/C=C/c2cccs2.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M17 compound treatment 0.397 0.0114 0.43 0.374 0.0189 0.76 0.8428 0.964 902 NINDS_000255 OC(=O)c1cc2cc(Cc3cccnc3)ccc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M18 compound treatment 0.385 -6.4E-4 -0.02 0.376 0.0209 0.84 0.5774 0.6864 3173594 NINDS_000256 CO[C@H]1C[C@H](C)CC2=C(OC)C(=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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M19 compound treatment 0.371 -0.0146 -0.56 0.37 0.0149 0.6 0.0302 0.037 903 NINDS_000257 COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M20 compound treatment 0.39 0.00436 0.17 0.38 0.0249 1.0 0.8257 0.813 368 NINDS_000258 CC/C(=C(\c1ccccc1)/c2ccc(OCCN(C)C)cc2)/c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M21 compound treatment 0.375 -0.0106 -0.4 0.371 0.0159 0.64 0.1662 0.2197 904 NINDS_000259 NC(=O)CN1CCCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M22 compound treatment 0.378 -0.00764 -0.29 0.375 0.0199 0.8 0.3608 0.4237 905 NINDS_000260 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M23 positive control 0.09 -0.296 -11.23 0.081 -0.274 -11.05 -15.7553 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 M24 positive control 0.093 -0.293 -11.12 0.081 -0.274 -11.05 -15.6746 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N01 mock treatment 0.331 -0.0546 -2.08 0.327 -0.0281 -1.13 -2.2699 -0.9595 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N02 mock treatment 0.336 -0.0496 -1.89 0.326 -0.0291 -1.17 -2.164 -0.974 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N03 compound treatment 0.325 -0.0606 -2.3 0.327 -0.0281 -1.13 -2.4311 -0.9466 906 NINDS_000261 N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N04 compound treatment 0.328 -0.0576 -2.19 0.337 -0.0181 -0.73 -2.0655 -0.8945 907 NINDS_000262 OC(=O)c1cc(O)c2cccc(O)c2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N05 compound treatment 0.426 0.0404 1.53 0.42 0.0649 2.61 2.9328 0.9677 3173595 NINDS_000263 C[C@H]1OC(OC/2CC3O[C@@](O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@@H](C)C(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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N06 compound treatment 0.365 -0.0206 -0.78 0.341 -0.0141 -0.57 -0.9573 -0.9876 3045298 NINDS_000264 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N07 compound treatment 0.407 0.0214 0.81 0.401 0.0459 1.85 1.8809 0.9318 909 NINDS_000265 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N08 compound treatment 0.379 -0.00664 -0.25 0.367 0.0119 0.48 0.1597 0.2954 910 NINDS_000266 CN1CC(CNC(=O)OCc2ccccc2)C[C@@H]3C1Cc4cn(C)c5cccc3c45 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N09 compound treatment 0.365 -0.0206 -0.78 0.357 0.00187 0.08 -0.5014 -0.6364 911 NINDS_000267 CCCCCC(C)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N10 compound treatment 0.377 -0.00864 -0.33 0.355 -1.33E-4 -0.01 -0.236 -0.7186 912 NINDS_000268 CCCc1cc(=O)[nH]c(=S)[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N11 compound treatment 0.382 -0.00364 -0.14 0.366 0.0109 0.44 0.2118 0.4613 913 NINDS_000269 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n2ccc(=O)[nH]c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N12 compound treatment 0.449 0.0634 2.41 0.424 0.0689 2.78 3.6648 0.9975 914 NINDS_000270 OC[C@H]1O[C@@H](OC2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N13 compound treatment 0.377 -0.00864 -0.33 0.372 0.0169 0.68 0.2484 0.3291 2797 NINDS_000271 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N14 compound treatment 0.382 -0.00364 -0.14 0.372 0.0169 0.68 0.3828 0.5519 915 NINDS_000272 OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N15 compound treatment 0.373 -0.0126 -0.48 0.369 0.0139 0.56 0.0555 0.0753 471 NINDS_000273 CCCC(CCC)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N16 compound treatment 0.381 -0.00464 -0.18 0.365 0.00987 0.4 0.1565 0.3597 917 NINDS_000274 NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N17 compound treatment 0.391 0.00536 0.2 0.369 0.0139 0.56 0.5391 0.9065 918 NINDS_000275 CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N18 compound treatment 0.386 3.6E-4 0.01 0.37 0.0149 0.6 0.4333 0.7231 919 NINDS_000276 COc1cc(ccc1c2nc3cccnc3[nH]2)S(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N19 compound treatment 0.374 -0.0116 -0.44 0.372 0.0169 0.68 0.1678 0.207 112 NINDS_000277 OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N20 compound treatment 0.374 -0.0116 -0.44 0.374 0.0189 0.76 0.2248 0.2556 920 NINDS_000278 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N21 compound treatment 0.388 0.00236 0.09 0.38 0.0249 1.0 0.772 0.7673 921 NINDS_000279 NCCCC(N)CC(=O)NCC1NC(=O)C(CO)NC(=O)C(N)CNC(=O)C(NC(=O)/C(=C/NC(=O)N)/NC1=O)C2CCNC(=N)N2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N22 compound treatment 0.378 -0.00764 -0.29 0.375 0.0199 0.8 0.3608 0.4237 922 NINDS_000280 CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N23 positive control 0.091 -0.295 -11.2 0.082 -0.273 -11.01 -15.6999 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 N24 positive control 0.089 -0.297 -11.27 0.082 -0.273 -11.01 -15.7536 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O01 mock treatment 0.34 -0.0456 -1.73 0.322 -0.0331 -1.34 -2.1705 -0.9916 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O02 mock treatment 0.352 -0.0336 -1.28 0.31 -0.0451 -1.82 -2.19 -0.9851 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O03 compound treatment 0.352 -0.0336 -1.28 0.318 -0.0371 -1.5 -1.962 -0.9969 923 NINDS_000281 NC(=O)NC1NC(=O)NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O04 compound treatment 0.346 -0.0396 -1.51 0.317 -0.0381 -1.54 -2.1517 -1.0 924 NINDS_000282 NC(=N)NC(=N)Nc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O05 compound treatment 0.364 -0.0216 -0.82 0.327 -0.0281 -1.13 -1.3831 -0.9876 925 NINDS_000283 C[C@@H]([C@H](O)c1ccccc1)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O06 compound treatment 0.341 -0.0446 -1.7 0.328 -0.0271 -1.09 -1.9727 -0.9774 926 NINDS_000284 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O07 compound treatment 0.384 -0.00164 -0.06 0.339 -0.0161 -0.65 -0.5038 -0.7714 927 NINDS_000285 CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O08 compound treatment 0.167 -0.219 -8.31 0.117 -0.238 -9.6 -12.6604 -0.9974 928 NINDS_000286 CC(=O)O[Hg]c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O09 compound treatment 0.365 -0.0206 -0.78 0.34 -0.0151 -0.61 -0.9858 -0.9923 3173600 NINDS_000287 Oc1ccc2C[C@H]3N(CC=C)CC[C@]4(C5Oc1c24)[C@@]3(O)CCC5=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O10 compound treatment 0.374 -0.0116 -0.44 0.34 -0.0151 -0.61 -0.744 -0.9876 930 NINDS_000288 CC(CN1CCCCC1)C(=O)c2ccc(C)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O11 compound treatment 0.375 -0.0106 -0.4 0.353 -0.00213 -0.09 -0.3467 -0.8387 931 NINDS_000289 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O12 compound treatment 0.391 0.00536 0.2 0.383 0.0279 1.12 0.9381 0.822 932 NINDS_000290 NCCCCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O13 compound treatment 0.45 0.0644 2.45 0.365 0.00987 0.4 2.0105 0.8114 933 NINDS_000291 CN1C2C[C@@H](C[C@H]1[C@H]3OC32)OC(=O)[C@H](CO)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O14 compound treatment 0.371 -0.0146 -0.56 0.371 0.0159 0.64 0.0587 0.0693 1001531 NINDS_000292 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O15 compound treatment 0.387 0.00136 0.05 0.36 0.00487 0.2 0.1752 0.864 934 NINDS_000293 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O16 compound treatment 0.389 0.00336 0.13 0.376 0.0209 0.84 0.6849 0.8052 935 NINDS_000294 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O17 compound treatment 0.387 0.00136 0.05 0.372 0.0169 0.68 0.5171 0.7587 936 NINDS_000295 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O18 compound treatment 0.378 -0.00764 -0.29 0.367 0.0119 0.48 0.1328 0.2375 937 NINDS_000296 CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O19 compound treatment 0.368 -0.0176 -0.67 0.369 0.0139 0.56 -0.0789 -0.0904 938 NINDS_000297 Cc1ccc(cc1)/C(=C\CN2CCCC2)/c3ccccn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O20 compound treatment 0.379 -0.00664 -0.25 0.369 0.0139 0.56 0.2167 0.3534 939 NINDS_000298 Cc1cccc(Nc2ccccc2C(=O)O)c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O21 compound treatment 0.384 -0.00164 -0.06 0.372 0.0169 0.68 0.4365 0.6396 940 NINDS_000299 CC(C)CC1NC(=O)CNC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O22 compound treatment 0.376 -0.00964 -0.37 0.375 0.0199 0.8 0.307 0.3488 941 NINDS_000300 CC(=O)Oc1cccc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O23 positive control 0.094 -0.292 -11.08 0.086 -0.269 -10.85 -15.5053 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 O24 positive control 0.095 -0.291 -11.04 0.083 -0.272 -10.97 -15.5639 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P01 mock treatment 0.363 -0.0226 -0.86 0.338 -0.0171 -0.69 -1.0966 -0.994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P02 mock treatment 0.342 -0.0436 -1.66 0.315 -0.0401 -1.62 -2.3162 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P03 compound treatment 0.356 -0.0296 -1.13 0.32 -0.0351 -1.42 -1.7975 -0.9936 942 NINDS_000301 OC(=O)c1ccccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P04 compound treatment 0.357 -0.0286 -1.09 0.359 0.00387 0.16 -0.6594 -0.5998 943 NINDS_000302 CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P05 compound treatment 0.369 -0.0166 -0.63 0.343 -0.0121 -0.49 -0.7929 -0.9919 944 NINDS_000303 Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P06 compound treatment 0.375 -0.0106 -0.4 0.348 -0.00713 -0.29 -0.4892 -0.986 945 NINDS_000304 C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P07 compound treatment 0.38 -0.00564 -0.21 0.358 0.00287 0.12 -0.0699 -0.287 946 NINDS_000305 OCCNC(=O)Cn1ccnc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P08 compound treatment 0.392 0.00636 0.24 0.358 0.00287 0.12 0.2526 0.9429 3173722 NINDS_000306 NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)C3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P09 compound treatment 0.392 0.00636 0.24 0.362 0.00687 0.28 0.3666 0.9977 948 NINDS_000307 O=C1C(C(=O)c2ccccc12)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P10 compound treatment 0.409 0.0234 0.89 0.395 0.0399 1.61 1.7637 0.9609 465 NINDS_000308 NCCc1c[nH]cn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P11 compound treatment 0.486 0.1 3.81 0.367 0.0119 0.48 3.0349 0.7896 949 NINDS_000309 OC(=O)c1cc(O)c2ccccc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P12 compound treatment 0.394 0.00836 0.32 0.374 0.0189 0.76 0.7622 0.9251 950 NINDS_000310 Oc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P13 compound treatment 0.411 0.0254 0.96 0.379 0.0239 0.96 1.3615 1.0 1000111 NINDS_000311 OC(=O)CCCCC1SCC2NC(=O)NC12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P14 compound treatment 0.456 0.0704 2.67 0.451 0.0959 3.86 4.6223 0.9838 3256 NINDS_000312 CCN(CCCc1ccccc1)CCCc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P15 compound treatment 0.297 -0.0886 -3.37 0.268 -0.0871 -3.51 -4.8646 -0.9998 110 NINDS_000313 COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P16 compound treatment 0.397 0.0114 0.43 0.373 0.0179 0.72 0.8143 0.9701 952 NINDS_000314 CC(C)(S)[C@@H](N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P17 compound treatment 0.453 0.0674 2.56 0.43 0.0749 3.02 3.9433 0.9967 953 NINDS_000315 C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P18 compound treatment 0.383 -0.00264 -0.1 0.378 0.0229 0.92 0.5806 0.6264 954 NINDS_000316 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P19 compound treatment 0.378 -0.00764 -0.29 0.381 0.0259 1.04 0.5318 0.4914 955 NINDS_000317 CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P20 compound treatment 0.386 3.6E-4 0.01 0.384 0.0289 1.16 0.8322 0.7154 956 NINDS_000318 CCn1nc(C(=O)O)c(=O)c2cc3OCOc3cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P21 compound treatment 0.382 -0.00364 -0.14 0.385 0.0299 1.2 0.7532 0.6217 957 NINDS_000319 NC(COC(=O)C=[N+]=[N-])C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P22 compound treatment 0.381 -0.00464 -0.18 0.373 0.0179 0.72 0.3844 0.5186 958 NINDS_000320 NC(=O)NC(=O)Cc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P23 positive control 0.11 -0.276 -10.47 0.091 -0.264 -10.64 -14.9329 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.500 P24 positive control 0.103 -0.283 -10.74 0.085 -0.27 -10.89 -15.292 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A01 mock treatment 0.378 0.0237 0.9 0.382 0.0239 0.96 1.3189 0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A02 mock treatment 0.36 0.00574 0.22 0.362 0.0039 0.16 0.2653 0.987 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A03 compound treatment 0.352 -0.00226 -0.09 0.351 -0.0071 -0.29 -0.2631 -0.8804 959 NINDS_000321 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A04 compound treatment 0.364 0.00974 0.37 0.363 0.0049 0.2 0.4013 0.9566 960 NINDS_000322 C1N2CN3CN1CN(C2)C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A05 compound treatment 0.354 -2.58E-4 -0.01 0.353 -0.0051 -0.21 -0.1524 -0.74 3173724 NINDS_000323 COc1ccc2C(OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A06 compound treatment 0.363 0.00874 0.33 0.365 0.0069 0.28 0.4314 0.9961 962 NINDS_000324 CCC1(C(=O)NCNC1=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A07 compound treatment 0.354 -2.58E-4 -0.01 0.353 -0.0051 -0.21 -0.1524 -0.74 3173725 NINDS_000325 CCN1CCN(C(=O)NC(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A08 compound treatment 0.36 0.00574 0.22 0.357 -0.0011 -0.04 0.1228 0.5517 964 NINDS_000326 CN(C)N=Nc1[nH]cnc1C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A09 compound treatment 0.461 0.107 4.06 0.441 0.0829 3.34 5.2303 0.9953 3173726 NINDS_000327 NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A10 compound treatment 0.364 0.00974 0.37 0.359 8.97E-4 0.04 0.2873 0.7724 965 NINDS_000328 C(C1=NCCN1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A11 compound treatment 0.353 -0.00126 -0.05 0.349 -0.0091 -0.37 -0.2932 -0.7926 966 NINDS_000329 OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A12 compound treatment 0.374 0.0197 0.75 0.371 0.0129 0.52 0.898 0.9839 967 NINDS_000330 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)/C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A13 compound treatment 0.369 0.0147 0.56 0.359 8.97E-4 0.04 0.4217 0.7511 968 NINDS_000331 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A14 compound treatment 0.372 0.0177 0.67 0.366 0.0079 0.32 0.7017 0.9413 969 NINDS_000332 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A15 compound treatment 0.371 0.0167 0.64 0.362 0.0039 0.16 0.5609 0.8559 970 NINDS_000333 CC1(C)O[C@]2(C)CC[C@H]1CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A16 compound treatment 0.367 0.0127 0.48 0.361 0.0029 0.12 0.4249 0.8531 971 NINDS_000334 CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A17 compound treatment 0.369 0.0147 0.56 0.365 0.0069 0.28 0.5926 0.9477 972 NINDS_000335 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3/C(=C\CCN4CCN(C)CC4)/c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A18 compound treatment 0.366 0.0117 0.45 0.363 0.0049 0.2 0.455 0.9327 973 NINDS_000336 COc1ccc(cc1)C2C(=O)c3ccccc3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A19 compound treatment 0.311 -0.0433 -1.64 0.313 -0.0451 -1.82 -2.4476 -0.9987 1000112 NINDS_000337 CC(=O)O[C@H]1[C@@H](O)C2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A20 compound treatment 0.354 -2.58E-4 -0.01 0.352 -0.0061 -0.25 -0.1808 -0.7347 975 NINDS_000338 CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A21 compound treatment 0.362 0.00774 0.29 0.359 8.97E-4 0.04 0.2336 0.788 3173729 NINDS_000339 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OC(=O)c1ccccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A22 compound treatment 0.368 0.0137 0.52 0.365 0.0069 0.28 0.5658 0.9564 977 NINDS_000340 C[C@@]12C[C@H](O)[C@@]3(F)C(CCC4=CC(=O)C=C[C@@]43C)C2C[C@@H](O)[C@]1(O)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A23 positive control 0.072 -0.282 -10.73 0.07 -0.288 -11.61 -15.7937 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 A24 positive control 0.072 -0.282 -10.73 0.072 -0.286 -11.53 -15.7368 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B01 mock treatment 0.383 0.0287 1.09 0.379 0.0209 0.84 1.3677 0.9917 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B02 mock treatment 0.363 0.00874 0.33 0.362 0.0039 0.16 0.3459 0.9415 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B03 compound treatment 0.357 0.00274 0.1 0.355 -0.0031 -0.13 -0.0148 -0.0906 198 NINDS_000341 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B04 compound treatment 0.537 0.183 6.94 0.519 0.161 6.48 9.495 0.9994 978 NINDS_000342 COC(=O)C(C)C[N+](C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B05 compound treatment 0.367 0.0127 0.48 0.367 0.0089 0.36 0.5959 0.9891 417 NINDS_000343 CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B06 compound treatment 0.101 -0.253 -9.62 0.1 -0.258 -10.4 -14.1597 -0.9992 3045266 NINDS_000344 S=C1CC=CC=[N+]1O[Zn]On2ccccc2=S 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B07 compound treatment 0.371 0.0167 0.64 0.368 0.0099 0.4 0.7319 0.9747 980 NINDS_000345 C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B08 compound treatment 0.368 0.0137 0.52 0.367 0.0089 0.36 0.6228 0.9832 981 NINDS_000346 CCCCCCCCCCCCCCCC[n+]1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B09 compound treatment 0.383 0.0287 1.09 0.379 0.0209 0.84 1.3677 0.9917 982 NINDS_000347 CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B10 compound treatment 0.393 0.0387 1.47 0.382 0.0239 0.96 1.7219 0.9788 983 NINDS_000348 NCCCS(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B11 compound treatment 0.367 0.0127 0.48 0.37 0.0119 0.48 0.6814 1.0 984 NINDS_000349 C[C@H]1CC2C3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)C2[C@@]4(C)CCC(=O)C=C14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B12 compound treatment 0.368 0.0137 0.52 0.367 0.0089 0.36 0.6228 0.9832 985 NINDS_000350 Nc1ccc(C(=O)O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B13 compound treatment 0.362 0.00774 0.29 0.362 0.0039 0.16 0.3191 0.9568 986 NINDS_000351 CN1CC(=O)NC1=N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B14 compound treatment 0.362 0.00774 0.29 0.364 0.0059 0.24 0.376 0.9944 987 NINDS_000352 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B15 compound treatment 0.366 0.0117 0.45 0.365 0.0069 0.28 0.512 0.974 988 NINDS_000353 COc1ccc2[nH]cc(CCNC(=O)C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B16 compound treatment 0.364 0.00974 0.37 0.362 0.0039 0.16 0.3728 0.9271 446 NINDS_000354 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B17 compound treatment 0.369 0.0147 0.56 0.361 0.0029 0.12 0.4787 0.8365 989 NINDS_000355 NC(=N)NCCCCNC(=N)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B18 compound treatment 0.368 0.0137 0.52 0.364 0.0059 0.24 0.5373 0.9365 990 NINDS_000356 CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B19 compound treatment 0.354 -2.58E-4 -0.01 0.352 -0.0061 -0.25 -0.1808 -0.7347 991 NINDS_000357 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B20 compound treatment 0.361 0.00674 0.26 0.367 0.0089 0.36 0.4347 0.9864 992 NINDS_000358 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B21 compound treatment 0.37 0.0157 0.6 0.367 0.0089 0.36 0.6765 0.97 993 NINDS_000359 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B22 compound treatment 0.371 0.0167 0.64 0.37 0.0119 0.48 0.7889 0.9903 994 NINDS_000360 N[C@@H](CCONC(=N)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B23 positive control 0.076 -0.278 -10.57 0.072 -0.286 -11.53 -15.6293 -0.9991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 B24 positive control 0.077 -0.277 -10.54 0.072 -0.286 -11.53 -15.6024 -0.999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C01 mock treatment 0.379 0.0247 0.94 0.387 0.0289 1.16 1.4882 0.9944 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C02 mock treatment 0.357 0.00274 0.1 0.358 -1.03E-4 0.0 0.0707 0.6783 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C03 compound treatment 0.352 -0.00226 -0.09 0.353 -0.0051 -0.21 -0.2061 -0.9249 995 NINDS_000361 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@@H]([C@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C04 compound treatment 0.353 -0.00126 -0.05 0.354 -0.0041 -0.17 -0.1507 -0.8757 996 NINDS_000362 NCCc1cc(O)c(O)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C05 compound treatment 0.352 -0.00226 -0.09 0.349 -0.0091 -0.37 -0.3201 -0.8496 997 NINDS_000363 NCc1ccc(cc1)S(=O)(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C06 compound treatment 0.359 0.00474 0.18 0.355 -0.0031 -0.13 0.039 0.1778 998 NINDS_000364 CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C07 compound treatment 0.352 -0.00226 -0.09 0.361 0.0029 0.12 0.0219 0.1509 999 NINDS_000365 CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C08 compound treatment 0.365 0.0107 0.41 0.362 0.0039 0.16 0.3997 0.9138 1000 NINDS_000366 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C09 compound treatment 0.356 0.00174 0.07 0.355 -0.0031 -0.13 -0.0416 -0.2942 1001 NINDS_000367 CN(C)CCOC(=O)COc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C10 compound treatment 0.366 0.0117 0.45 0.368 0.0099 0.4 0.5975 0.9984 1002 NINDS_000368 CN(C)CCOC(c1ccccc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C11 compound treatment 0.371 0.0167 0.64 0.367 0.0089 0.36 0.7034 0.9632 347 NINDS_000369 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C12 compound treatment 0.289 -0.0653 -2.48 0.279 -0.0791 -3.19 -4.0075 -0.9923 3173852 NINDS_000370 COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)C3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C13 compound treatment 0.361 0.00674 0.26 0.363 0.0049 0.2 0.3207 0.9917 1004 NINDS_000371 Oc1ccc2c(=O)cc(oc2c1O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C14 compound treatment 0.365 0.0107 0.41 0.364 0.0059 0.24 0.4567 0.9668 1005 NINDS_000372 OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C15 compound treatment 0.362 0.00774 0.29 0.36 0.0019 0.08 0.2621 0.8622 1006 NINDS_000373 Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C16 compound treatment 0.362 0.00774 0.29 0.357 -0.0011 -0.04 0.1766 0.5935 1000113 NINDS_000374 CC1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)C(O)CC2(C)[C@@]1(O)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C17 compound treatment 0.367 0.0127 0.48 0.367 0.0089 0.36 0.5959 0.9891 349 NINDS_000375 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C18 compound treatment 0.429 0.0747 2.84 0.416 0.0579 2.33 3.6581 0.9952 1008 NINDS_000376 OC1CCCCC1N2CCC(CC2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C19 compound treatment 0.366 0.0117 0.45 0.362 0.0039 0.16 0.4265 0.9017 1009 NINDS_000377 C[N+]1(C)C2CC(CC1C3OC32)OC(=O)[C@@H](CO)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C20 compound treatment 0.368 0.0137 0.52 0.368 0.0099 0.4 0.6513 0.9911 1010 NINDS_000378 COc1ccc(CN(CCN(C)C)c2ncccn2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C21 compound treatment 0.363 0.00874 0.33 0.362 0.0039 0.16 0.3459 0.9415 1011 NINDS_000379 C[N+](C)(C)CC#CCN1CCCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C22 compound treatment 0.365 0.0107 0.41 0.363 0.0049 0.2 0.4282 0.9444 1012 NINDS_000380 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C23 positive control 0.073 -0.281 -10.69 0.071 -0.287 -11.57 -15.7384 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 C24 positive control 0.073 -0.281 -10.69 0.073 -0.285 -11.49 -15.6814 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D01 mock treatment 0.368 0.0137 0.52 0.384 0.0259 1.04 1.1072 0.9488 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D02 mock treatment 0.357 0.00274 0.1 0.356 -0.0021 -0.08 0.0137 0.1023 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D03 compound treatment 0.361 0.00674 0.26 0.358 -1.03E-4 0.0 0.1782 0.6955 1013 NINDS_000381 Cc1ccc(O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D04 compound treatment 0.358 0.00374 0.14 0.358 -1.03E-4 0.0 0.0976 0.6861 3173855 NINDS_000382 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)/[C@H](C)[C@@H](O)[C@]1(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D05 compound treatment 0.367 0.0127 0.48 0.365 0.0069 0.28 0.5389 0.9653 3471725 NINDS_000383 CC1(C)SC2C(NC(=O)C(N=C)c3ccccc3)C(=O)N2C1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D06 compound treatment 0.368 0.0137 0.52 0.367 0.0089 0.36 0.6228 0.9832 1016 NINDS_000384 CN1CCOC(c2ccccc2)c3ccccc3C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D07 compound treatment 0.371 0.0167 0.64 0.362 0.0039 0.16 0.5609 0.8559 1017 NINDS_000385 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D08 compound treatment 0.372 0.0177 0.67 0.373 0.0149 0.6 0.9012 0.9983 2117626 NINDS_000386 Fc1ccc(cc1)C(CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34)c5ccc(F)cc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D09 compound treatment 0.373 0.0187 0.71 0.37 0.0119 0.48 0.8426 0.9814 1018 NINDS_000387 COc1ccc2C[C@H]3[C@@H]4CCCC[C@@]4(CCN3C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D10 compound treatment 0.376 0.0217 0.83 0.372 0.0139 0.56 0.9802 0.9821 1019 NINDS_000388 NC(=O)N1c2ccccc2C=Cc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D11 compound treatment 0.375 0.0207 0.79 0.365 0.0069 0.28 0.7539 0.902 3173857 NINDS_000389 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D12 compound treatment 0.376 0.0217 0.83 0.387 0.0289 1.16 1.4076 0.9859 1021 NINDS_000390 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(CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D13 compound treatment 0.37 0.0157 0.6 0.359 8.97E-4 0.04 0.4485 0.7484 1022 NINDS_000391 COc1cc(OC)c2ccc(=O)oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D14 compound treatment 0.373 0.0187 0.71 0.37 0.0119 0.48 0.8426 0.9814 1023 NINDS_000392 CN[C@H](CC(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D15 compound treatment 0.378 0.0237 0.9 0.366 0.0079 0.32 0.863 0.902 1024 NINDS_000393 c1ccc2c(c1)sc3ccccc32 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D16 compound treatment 0.368 0.0137 0.52 0.371 0.0129 0.52 0.7367 1.0 3173859 NINDS_000394 CC(C)CC(=O)OC1C(O[C@@H]2C[C@H]([C@H]3CC[C@]4(CC5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D17 compound treatment 0.366 0.0117 0.45 0.361 0.0029 0.12 0.3981 0.863 1026 NINDS_000395 CC(=O)NC(Cc1ccccc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D18 compound treatment 0.37 0.0157 0.6 0.38 0.0219 0.88 1.0469 0.9821 3264 NINDS_000396 Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(OC=O)c4ccccc4)C3=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D19 compound treatment 0.369 0.0147 0.56 0.359 8.97E-4 0.04 0.4217 0.7511 935 NINDS_000397 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D20 compound treatment 0.374 0.0197 0.75 0.37 0.0119 0.48 0.8695 0.9766 3173860 NINDS_000398 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC6CCC6)c54 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D21 compound treatment 0.374 0.0197 0.75 0.365 0.0069 0.28 0.727 0.9087 1000056 NINDS_000399 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D22 compound treatment 0.371 0.0167 0.64 0.371 0.0129 0.52 0.8173 0.995 1028 NINDS_000400 Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D23 positive control 0.073 -0.281 -10.69 0.071 -0.287 -11.57 -15.7384 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 D24 positive control 0.073 -0.281 -10.69 0.076 -0.282 -11.37 -15.5959 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E01 mock treatment 0.376 0.0217 0.83 0.377 0.0189 0.76 1.1227 0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E02 mock treatment 0.359 0.00474 0.18 0.361 0.0029 0.12 0.21 0.9779 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E03 compound treatment 0.391 0.0367 1.4 0.362 0.0039 0.16 1.0983 0.7817 1029 NINDS_000401 CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E04 compound treatment 0.351 -0.00326 -0.12 0.343 -0.0151 -0.61 -0.5179 -0.8339 915 NINDS_000402 OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E05 compound treatment 0.359 0.00474 0.18 0.354 -0.0041 -0.17 0.0105 0.0429 1031 NINDS_000403 COc1ccc(cc1)C(=O)N2CCCC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E06 compound treatment 0.38 0.0257 0.98 0.359 8.97E-4 0.04 0.7173 0.7327 1000114 NINDS_000404 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E07 compound treatment 0.372 0.0177 0.67 0.368 0.0099 0.4 0.7587 0.9686 1033 NINDS_000405 CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E08 compound treatment 0.385 0.0307 1.17 0.373 0.0149 0.6 1.2505 0.9521 1034 NINDS_000406 CC(=O)N[C@@H](CCC(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E09 compound treatment 0.393 0.0387 1.47 0.387 0.0289 1.16 1.8644 0.9933 1035 NINDS_000407 Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E10 compound treatment 0.384 0.0297 1.13 0.373 0.0149 0.6 1.2237 0.9562 1036 NINDS_000408 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E11 compound treatment 0.403 0.0487 1.85 0.396 0.0379 1.53 2.3896 0.9954 1037 NINDS_000409 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E12 compound treatment 0.371 0.0167 0.64 0.367 0.0089 0.36 0.7034 0.9632 1038 NINDS_000410 O=C1CCCN1CC#CCN2CCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E13 compound treatment 0.403 0.0487 1.85 0.411 0.0529 2.13 2.817 0.9976 1039 NINDS_000411 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E14 compound treatment 0.37 0.0157 0.6 0.373 0.0149 0.6 0.8475 1.0 1040 NINDS_000412 CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(Cc6ccccc6)NC1=O)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E15 compound treatment 0.372 0.0177 0.67 0.369 0.0109 0.44 0.7872 0.9784 1041 NINDS_000413 CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E16 compound treatment 0.373 0.0187 0.71 0.369 0.0109 0.44 0.8141 0.973 1000115 NINDS_000414 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E17 compound treatment 0.369 0.0147 0.56 0.366 0.0079 0.32 0.6211 0.9641 1043 NINDS_000415 O[Hg]c1c(O)c(Br)cc2c(c3ccccc3C(=O)O)c4cc(Br)c(=O)cc4oc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E18 compound treatment 0.376 0.0217 0.83 0.372 0.0139 0.56 0.9802 0.9821 1044 NINDS_000416 C[C@H](CCC(=O)O)[C@H]1CCC2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E19 compound treatment 0.375 0.0207 0.79 0.367 0.0089 0.36 0.8109 0.9364 1045 NINDS_000417 C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E20 compound treatment 0.376 0.0217 0.83 0.375 0.0169 0.68 1.0657 0.9954 1046 NINDS_000418 CC1C2C(CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC(=O)[C@]23C)OC61CCC(C)CO6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E21 compound treatment 0.363 0.00874 0.33 0.365 0.0069 0.28 0.4314 0.9961 1047 NINDS_000419 CN(C)CCCN1c2ccccc2Sc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E22 compound treatment 0.368 0.0137 0.52 0.367 0.0089 0.36 0.6228 0.9832 1048 NINDS_000420 CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E23 positive control 0.073 -0.281 -10.69 0.072 -0.286 -11.53 -15.7099 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 E24 positive control 0.076 -0.278 -10.57 0.076 -0.282 -11.37 -15.5153 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F01 mock treatment 0.371 0.0167 0.64 0.382 0.0239 0.96 1.1308 0.9798 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F02 mock treatment 0.35 -0.00426 -0.16 0.349 -0.0091 -0.37 -0.3738 -0.9323 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F03 compound treatment 0.368 0.0137 0.52 0.345 -0.0131 -0.53 -0.0041 -0.0055 1049 NINDS_000421 Oc1cc2oc(cc(=O)c2cc1O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F04 compound treatment 0.375 0.0207 0.79 0.357 -0.0011 -0.04 0.5259 0.6662 1050 NINDS_000422 Nc1ccc(cc1)S(=O)(=O)Nc2cnnc(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F05 compound treatment 0.349 -0.00526 -0.2 0.343 -0.0151 -0.61 -0.5716 -0.8924 1051 NINDS_000423 CC(=O)Oc1ccc(Cl)c2cccnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F06 compound treatment 0.361 0.00674 0.26 0.358 -1.03E-4 0.0 0.1782 0.6955 1052 NINDS_000424 CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F07 compound treatment 0.367 0.0127 0.48 0.361 0.0029 0.12 0.4249 0.8531 1053 NINDS_000425 COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F08 compound treatment 0.381 0.0267 1.02 0.363 0.0049 0.2 0.8581 0.8289 1054 NINDS_000426 CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F09 compound treatment 0.365 0.0107 0.41 0.366 0.0079 0.32 0.5136 0.9924 1055 NINDS_000427 CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F10 compound treatment 0.362 0.00774 0.29 0.359 8.97E-4 0.04 0.2336 0.788 1056 NINDS_000428 Nc1nc2nc[nH]c2c(=S)[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F11 compound treatment 0.359 0.00474 0.18 0.363 0.0049 0.2 0.2669 0.999 1057 NINDS_000429 OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F12 compound treatment 0.36 0.00574 0.22 0.35 -0.0081 -0.33 -0.0766 -0.1951 1058 NINDS_000430 C[C@@]12CCC3C(CCC4=Cc5oncc5C[C@]34C)C2CC[C@@]1(O)C#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F13 compound treatment 0.365 0.0107 0.41 0.367 0.0089 0.36 0.5421 0.9979 1059 NINDS_000431 CN(C)CC/C=C\1/c2ccccc2COc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F14 compound treatment 0.371 0.0167 0.64 0.459 0.101 4.07 3.3248 0.8079 1060 NINDS_000432 CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F15 compound treatment 0.371 0.0167 0.64 0.366 0.0079 0.32 0.6749 0.9487 1061 NINDS_000433 Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F16 compound treatment 0.374 0.0197 0.75 0.367 0.0089 0.36 0.784 0.9429 1062 NINDS_000434 COc1ccccc1OCC(O)COC(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F17 compound treatment 0.371 0.0167 0.64 0.36 0.0019 0.08 0.5039 0.7864 1063 NINDS_000435 CC(CNCCc1ccc(O)c(O)c1)Cc2cccc(O)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F18 compound treatment 0.376 0.0217 0.83 0.374 0.0159 0.64 1.0372 0.9921 1064 NINDS_000436 [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F19 compound treatment 0.368 0.0137 0.52 0.36 0.0019 0.08 0.4233 0.802 1065 NINDS_000437 CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F20 compound treatment 0.326 -0.0283 -1.07 0.329 -0.0291 -1.17 -1.5886 -0.999 1066 NINDS_000438 OC1OCC=C2OC(=O)C=C12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F21 compound treatment 0.364 0.00974 0.37 0.359 8.97E-4 0.04 0.2873 0.7724 1067 NINDS_000439 CO[C@]1(NC(=O)CSCC#N)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F22 compound treatment 0.43 0.0757 2.88 0.425 0.0669 2.7 3.9414 0.9995 1068 NINDS_000440 CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(CN(C)C)o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F23 positive control 0.073 -0.281 -10.69 0.073 -0.285 -11.49 -15.6814 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 F24 positive control 0.074 -0.28 -10.65 0.075 -0.283 -11.41 -15.5975 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G01 mock treatment 0.379 0.0247 0.94 0.375 0.0169 0.68 1.1463 0.9874 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G02 mock treatment 0.35 -0.00426 -0.16 0.35 -0.0081 -0.33 -0.3453 -0.9475 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G03 compound treatment 0.351 -0.00326 -0.12 0.354 -0.0041 -0.17 -0.2045 -0.9898 1000045 NINDS_000441 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G04 compound treatment 0.37 0.0157 0.6 0.369 0.0109 0.44 0.7335 0.9884 1069 NINDS_000442 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G05 compound treatment 0.357 0.00274 0.1 0.357 -0.0011 -0.04 0.0422 0.3728 1070 NINDS_000443 CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G06 compound treatment 0.361 0.00674 0.26 0.359 8.97E-4 0.04 0.2067 0.7989 1000116 NINDS_000444 CC(=O)CC(c1ccccc1)c2c(O)c3ccccc3oc2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G07 compound treatment 0.339 -0.0153 -0.58 0.331 -0.0271 -1.09 -1.1823 -0.9561 1000117 NINDS_000445 CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G08 compound treatment 0.362 0.00774 0.29 0.362 0.0039 0.16 0.3191 0.9568 1073 NINDS_000446 CC(N)C(=O)NC(Cc1ccccc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G09 compound treatment 0.375 0.0207 0.79 0.367 0.0089 0.36 0.8109 0.9364 3173981 NINDS_000447 CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)[C@H](N)c3ccccc3)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G10 compound treatment 0.364 0.00974 0.37 0.367 0.0089 0.36 0.5153 0.9999 1075 NINDS_000448 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G11 compound treatment 0.364 0.00974 0.37 0.36 0.0019 0.08 0.3158 0.8355 1076 NINDS_000449 Cc1cccc(C)c1NC2=NCCCS2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G12 compound treatment 0.336 -0.0183 -0.69 0.332 -0.0261 -1.05 -1.2344 -0.9796 1077 NINDS_000450 CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G13 compound treatment 0.368 0.0137 0.52 0.353 -0.0051 -0.21 0.2238 0.3988 1000118 NINDS_000451 CN[C@@H](C)[C@@H](O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G14 compound treatment 0.361 0.00674 0.26 0.363 0.0049 0.2 0.3207 0.9917 1079 NINDS_000452 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G15 compound treatment 0.366 0.0117 0.45 0.358 -1.03E-4 0.0 0.3126 0.7005 1080 NINDS_000453 N[C@H](Cc1ccccc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G16 compound treatment 0.361 0.00674 0.26 0.363 0.0049 0.2 0.3207 0.9917 1081 NINDS_000454 Cc1c(N)c(=O)n(c2ccccc2)n1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G17 compound treatment 0.356 0.00174 0.07 0.369 0.0109 0.44 0.3573 0.8046 1082 NINDS_000455 CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G18 compound treatment 0.361 0.00674 0.26 0.357 -0.0011 -0.04 0.1497 0.5758 1083 NINDS_000456 C(C1=NCCN1)c2cccc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G19 compound treatment 0.363 0.00874 0.33 0.355 -0.0031 -0.13 0.1465 0.4126 1000119 NINDS_000457 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G20 compound treatment 0.36 0.00574 0.22 0.366 0.0079 0.32 0.3793 0.9831 3173985 NINDS_000458 CO[C@H]1CC(O[C@H]/2[C@@H](C)\C=C\C=C\3/CO[C@@H]4CC(=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]6(CC[C@H](C)[C@H](O6)C7CCCCC7)C5)[C@@]43O)C)O[C@@H](C)C1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G21 compound treatment 0.369 0.0147 0.56 0.367 0.0089 0.36 0.6496 0.9767 1086 NINDS_000459 CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G22 compound treatment 0.419 0.0647 2.46 0.359 8.97E-4 0.04 1.7652 0.7174 1087 NINDS_000460 Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G23 positive control 0.072 -0.282 -10.73 0.072 -0.286 -11.53 -15.7368 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 G24 positive control 0.076 -0.278 -10.57 0.076 -0.282 -11.37 -15.5153 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H01 mock treatment 0.382 0.0277 1.05 0.385 0.0269 1.08 1.5118 0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H02 mock treatment 0.363 0.00874 0.33 0.362 0.0039 0.16 0.3459 0.9415 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H03 compound treatment 0.4 0.0457 1.74 0.407 0.0489 1.97 2.6224 0.998 836 NINDS_000461 CNC(C)C(O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H04 compound treatment 0.351 -0.00326 -0.12 0.352 -0.0061 -0.25 -0.2615 -0.9495 1088 NINDS_000462 CCN(CC)CCOc1ccc(cc1)/C(=C(\Cl)/c2ccccc2)/c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H05 compound treatment 0.36 0.00574 0.22 0.36 0.0019 0.08 0.2083 0.9011 3044782 NINDS_000463 NC(=N)N.OC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H06 compound treatment 0.405 0.0507 1.93 0.401 0.0429 1.73 2.5858 0.9985 1090 NINDS_000464 CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H07 compound treatment 0.316 -0.0383 -1.45 0.333 -0.0251 -1.01 -1.7433 -0.9843 1091 NINDS_000465 CCc1cn(C2OCC(O)C2CO)c(=O)nc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H08 compound treatment 0.361 0.00674 0.26 0.361 0.0029 0.12 0.2637 0.9366 1092 NINDS_000466 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H09 compound treatment 0.371 0.0167 0.64 0.366 0.0079 0.32 0.6749 0.9487 1093 NINDS_000467 NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](OC3O[C@H](CO)[C@H](O)[C@H]3O)[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H10 compound treatment 0.392 0.0377 1.43 0.381 0.0229 0.92 1.6666 0.9772 1094 NINDS_000468 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H11 compound treatment 0.372 0.0177 0.67 0.368 0.0099 0.4 0.7587 0.9686 1095 NINDS_000469 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H12 compound treatment 0.371 0.0167 0.64 0.365 0.0069 0.28 0.6464 0.931 1096 NINDS_000470 C[N+](C)(C)CC(O)CC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H13 compound treatment 0.376 0.0217 0.83 0.375 0.0169 0.68 1.0657 0.9954 1097 NINDS_000471 OC(=O)c1cc(=O)c2ccccc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H14 compound treatment 0.373 0.0187 0.71 0.367 0.0089 0.36 0.7571 0.9495 1098 NINDS_000472 C[C@@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H15 compound treatment 0.516 0.162 6.15 0.506 0.148 5.96 8.5603 0.9999 1099 NINDS_000473 CC(=O)NCCCCCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H16 compound treatment 0.371 0.0167 0.64 0.37 0.0119 0.48 0.7889 0.9903 1100 NINDS_000474 CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H17 compound treatment 0.382 0.0277 1.05 0.363 0.0049 0.2 0.885 0.8251 1101 NINDS_000475 CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@@]2(O1)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H18 compound treatment 0.446 0.0917 3.49 0.439 0.0809 3.26 4.7703 0.9994 1102 NINDS_000476 CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H19 compound treatment 0.378 0.0237 0.9 0.374 0.0159 0.64 1.0909 0.9859 3471036 NINDS_000477 OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N31 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H20 compound treatment 0.372 0.0177 0.67 0.371 0.0129 0.52 0.8442 0.9917 1104 NINDS_000478 C[C@H](CCC(=O)O)[C@H]1CCC2C3C(CC(=O)[C@]12C)[C@@]4(C)CCC(=O)CC4CC3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H21 compound treatment 0.378 0.0237 0.9 0.376 0.0179 0.72 1.1479 0.9938 3044756 NINDS_000479 CC(CN(C)C)CN1c2ccccc2Sc3ccccc13.OC(C(O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H22 compound treatment 0.375 0.0207 0.79 0.374 0.0159 0.64 1.0103 0.9947 1105 NINDS_000480 CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H23 positive control 0.073 -0.281 -10.69 0.073 -0.285 -11.49 -15.6814 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 H24 positive control 0.076 -0.278 -10.57 0.076 -0.282 -11.37 -15.5153 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I01 mock treatment 0.376 0.0217 0.83 0.383 0.0249 1.0 1.2936 0.9954 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I02 mock treatment 0.355 7.42E-4 0.03 0.368 0.0099 0.4 0.3019 0.7552 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I03 compound treatment 0.369 0.0147 0.56 0.371 0.0129 0.52 0.7636 0.9993 74 NINDS_000481 COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I04 compound treatment 0.35 -0.00426 -0.16 0.351 -0.0071 -0.29 -0.3168 -0.9635 1106 NINDS_000482 CCC(=O)c1c(O)cc(O)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I05 compound treatment 0.364 0.00974 0.37 0.364 0.0059 0.24 0.4298 0.977 1107 NINDS_000483 OC(=O)CN1CCNC1=N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I06 compound treatment 0.38 0.0257 0.98 0.386 0.0279 1.12 1.4866 0.9976 1108 NINDS_000484 Cc1cc(=O)n(c2ccccc2)n1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I07 compound treatment 0.374 0.0197 0.75 0.375 0.0169 0.68 1.0119 0.9988 353 NINDS_000485 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I08 compound treatment 0.386 0.0317 1.21 0.384 0.0259 1.04 1.5908 0.9974 1000121 NINDS_000486 C/C(=C\CO)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I09 compound treatment 0.367 0.0127 0.48 0.374 0.0159 0.64 0.7953 0.9905 1110 NINDS_000487 C[C@H]1CC2C3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)CCC2[C@@]4(C)CCC(=O)C=C14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I10 compound treatment 0.392 0.0377 1.43 0.379 0.0209 0.84 1.6096 0.9678 1111 NINDS_000488 CCC(C)C1NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(NC1=O)C(C)CC)C(C)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)C(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I11 compound treatment 0.389 0.0347 1.32 0.386 0.0279 1.12 1.7284 0.9968 1112 NINDS_000489 CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I12 compound treatment 0.38 0.0257 0.98 0.364 0.0059 0.24 0.8597 0.854 1113 NINDS_000490 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(=O)O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I13 compound treatment 0.382 0.0277 1.05 0.373 0.0149 0.6 1.1699 0.9644 1114 NINDS_000491 NS(=O)(=O)c1cc2c(N=C(CSCc3ccccc3)NS2(=O)=O)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I14 compound treatment 0.283 -0.0713 -2.71 0.27 -0.0881 -3.55 -4.4252 -0.9911 1115 NINDS_000492 C[C@@]12CCC3C(CCC4=C3CCC(=O)C4)C2CC[C@@]1(O)C#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I15 compound treatment 0.37 0.0157 0.6 0.367 0.0089 0.36 0.6765 0.97 1116 NINDS_000493 S=c1[nH]cnc2nc[nH]c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I16 compound treatment 0.37 0.0157 0.6 0.361 0.0029 0.12 0.5055 0.8294 1117 NINDS_000494 Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I17 compound treatment 0.371 0.0167 0.64 0.371 0.0129 0.52 0.8173 0.995 2549 NINDS_000495 C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I18 compound treatment 0.373 0.0187 0.71 0.373 0.0149 0.6 0.9281 0.9964 3174099 NINDS_000496 Nc1cccc(c1)C(=C2C=CC(=N)C=C2)c3cccc(N)c3.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I19 compound treatment 0.386 0.0317 1.21 0.383 0.0249 1.0 1.5623 0.9958 2069294 NINDS_000497 C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC2(C)C1C(=O)COC(=O)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I20 compound treatment 0.374 0.0197 0.75 0.372 0.0139 0.56 0.9265 0.9896 1119 NINDS_000498 CSCCC(NC=O)C(=O)NC(Cc1ccccc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I21 compound treatment 0.382 0.0277 1.05 0.378 0.0199 0.8 1.3124 0.9909 3174101 NINDS_000499 CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4.OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I22 compound treatment 0.368 0.0137 0.52 0.373 0.0149 0.6 0.7937 0.9976 1120 NINDS_000500 Oc1ccc(cc1[N+](=O)[O-])[As](=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I23 positive control 0.073 -0.281 -10.69 0.073 -0.285 -11.49 -15.6814 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 I24 positive control 0.077 -0.277 -10.54 0.077 -0.281 -11.33 -15.4599 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J01 mock treatment 0.355 7.42E-4 0.03 0.362 0.0039 0.16 0.131 0.8209 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J02 mock treatment 0.354 -2.58E-4 -0.01 0.351 -0.0071 -0.29 -0.2093 -0.7309 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J03 compound treatment 0.371 0.0167 0.64 0.366 0.0079 0.32 0.6749 0.9487 1000122 NINDS_000501 O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J04 compound treatment 0.361 0.00674 0.26 0.359 8.97E-4 0.04 0.2067 0.7989 1122 NINDS_000502 N(=Nc1ccccc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J05 compound treatment 0.365 0.0107 0.41 0.377 0.0189 0.76 0.8271 0.9573 3174102 NINDS_000503 OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J06 compound treatment 0.342 -0.0123 -0.47 0.35 -0.0081 -0.33 -0.5603 -0.9849 1123 NINDS_000504 Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J07 compound treatment 0.365 0.0107 0.41 0.345 -0.0131 -0.53 -0.0847 -0.1269 1124 NINDS_000505 CN1C2CC[C@@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J08 compound treatment 0.365 0.0107 0.41 0.359 8.97E-4 0.04 0.3142 0.7667 1125 NINDS_000506 CCOC(=O)NNc1nncc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J09 compound treatment 0.37 0.0157 0.6 0.366 0.0079 0.32 0.648 0.9564 1126 NINDS_000507 O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J10 compound treatment 0.379 0.0247 0.94 0.367 0.0089 0.36 0.9183 0.9126 1127 NINDS_000508 CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J11 compound treatment 0.389 0.0347 1.32 0.374 0.0159 0.64 1.3865 0.9449 3174103 NINDS_000509 C/C/1=C\CC[C@@]2(C)OC2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J12 compound treatment 0.378 0.0237 0.9 0.374 0.0159 0.64 1.0909 0.9859 1129 NINDS_000510 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J13 compound treatment 0.426 0.0717 2.73 0.421 0.0629 2.53 3.7199 0.9993 1130 NINDS_000511 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J14 compound treatment 0.366 0.0117 0.45 0.368 0.0099 0.4 0.5975 0.9984 1131 NINDS_000512 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J15 compound treatment 0.367 0.0127 0.48 0.364 0.0059 0.24 0.5104 0.9463 1132 NINDS_000513 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J16 compound treatment 0.391 0.0367 1.4 0.407 0.0489 1.97 2.3805 0.9858 1133 NINDS_000514 CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J17 compound treatment 0.368 0.0137 0.52 0.362 0.0039 0.16 0.4803 0.8808 1134 NINDS_000515 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J18 compound treatment 0.377 0.0227 0.86 0.377 0.0189 0.76 1.1495 0.998 1135 NINDS_000516 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J19 compound treatment 0.379 0.0247 0.94 0.373 0.0149 0.6 1.0893 0.9765 1136 NINDS_000517 C[C@@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)COC(=O)CCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J20 compound treatment 0.368 0.0137 0.52 0.366 0.0079 0.32 0.5943 0.9718 1137 NINDS_000518 CC(=O)Oc1ccc2C3CCC4(C)C(CCC4=O)C3CCc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J21 compound treatment 0.386 0.0317 1.21 0.391 0.0329 1.33 1.7903 0.9989 1138 NINDS_000519 CC/C(=C(/CC)\c1ccc(O)cc1)/c2ccc(O)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J22 compound treatment 0.368 0.0137 0.52 0.366 0.0079 0.32 0.5943 0.9718 1139 NINDS_000520 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2CC[C@@]1(O)C#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J23 positive control 0.074 -0.28 -10.65 0.074 -0.284 -11.45 -15.626 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 J24 positive control 0.078 -0.276 -10.5 0.077 -0.281 -11.33 -15.4331 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K01 mock treatment 0.357 0.00274 0.1 0.355 -0.0031 -0.13 -0.0148 -0.0906 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K02 mock treatment 0.342 -0.0123 -0.47 0.343 -0.0151 -0.61 -0.7597 -0.9913 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K03 compound treatment 0.344 -0.0103 -0.39 0.345 -0.0131 -0.53 -0.649 -0.9889 3174105 NINDS_000521 CN(C)c1ccc2[n+](C)c(/C=C/c3cc(C)n(c3C)c4ccccc4)ccc2c1.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K04 compound treatment 0.353 -0.00126 -0.05 0.35 -0.0081 -0.33 -0.2647 -0.8021 1140 NINDS_000522 CC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K05 compound treatment 0.345 -0.00926 -0.35 0.34 -0.0181 -0.73 -0.7646 -0.9441 1141 NINDS_000523 CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K06 compound treatment 0.355 7.42E-4 0.03 0.352 -0.0061 -0.25 -0.154 -0.622 1142 NINDS_000524 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K07 compound treatment 0.369 0.0147 0.56 0.359 8.97E-4 0.04 0.4217 0.7511 3174106 NINDS_000525 CN(C)CCCO[C@H]1[C@H](OC2OC(C)(C)O[C@H]12)C(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K08 compound treatment 0.365 0.0107 0.41 0.366 0.0079 0.32 0.5136 0.9924 1144 NINDS_000526 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K09 compound treatment 0.374 0.0197 0.75 0.371 0.0129 0.52 0.898 0.9839 3174107 NINDS_000527 CN[C@@H]1C(O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O)OC[C@]1(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K10 compound treatment 0.387 0.0327 1.24 0.387 0.0289 1.16 1.7032 0.9995 1146 NINDS_000528 Nc1ccc(cc1)S(=O)(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K11 compound treatment 0.372 0.0177 0.67 0.365 0.0069 0.28 0.6733 0.9232 1147 NINDS_000529 COc1c2ccoc2cc3oc(=O)ccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K12 compound treatment 0.367 0.0127 0.48 0.363 0.0049 0.2 0.4819 0.9217 3174108 NINDS_000530 CC(=O)N[C@H](CS)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K13 compound treatment 0.405 0.0507 1.93 0.409 0.0509 2.05 2.8137 0.9995 1149 NINDS_000531 CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K14 compound treatment 0.37 0.0157 0.6 0.366 0.0079 0.32 0.648 0.9564 1150 NINDS_000532 OC(=O)CCCCCCCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K15 compound treatment 0.373 0.0187 0.71 0.362 0.0039 0.16 0.6146 0.8428 1151 NINDS_000533 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K16 compound treatment 0.373 0.0187 0.71 0.367 0.0089 0.36 0.7571 0.9495 1152 NINDS_000534 CN(C)CCN(Cc1ccccc1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K17 compound treatment 0.321 -0.0333 -1.26 0.338 -0.0201 -0.81 -1.4665 -0.9769 3174220 NINDS_000535 CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H](O2)[C@@H](C)C(=O)O)O[C@]3(O[C@@](C)(C[C@H]3C)[C@H]4CC[C@](C)(O4)C5O[C@H](C[C@@H]5C)C6O[C@@](O)(CO)[C@H](C)C[C@@H]6C)[C@@H]1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K18 compound treatment 0.368 0.0137 0.52 0.364 0.0059 0.24 0.5373 0.9365 1154 NINDS_000536 O=C1CC2OCC=C3CN4CC[C@]56C4C[C@@H]3[C@@H]2C6N1c7ccccc75 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K19 compound treatment 0.37 0.0157 0.6 0.366 0.0079 0.32 0.648 0.9564 1155 NINDS_000537 Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K20 compound treatment 0.372 0.0177 0.67 0.368 0.0099 0.4 0.7587 0.9686 1156 NINDS_000538 OC(=O)c1cc(O)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K21 compound treatment 0.373 0.0187 0.71 0.371 0.0129 0.52 0.8711 0.988 3055 NINDS_000539 NC(=N)NCCN1CCCCCCC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K22 compound treatment 0.428 0.0737 2.8 0.418 0.0599 2.41 3.6882 0.9972 86 NINDS_000540 COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K23 positive control 0.078 -0.276 -10.5 0.078 -0.28 -11.29 -15.4046 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 K24 positive control 0.079 -0.275 -10.46 0.079 -0.279 -11.25 -15.3492 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L01 mock treatment 0.346 -0.00826 -0.31 0.345 -0.0131 -0.53 -0.5953 -0.9691 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L02 mock treatment 0.334 -0.0203 -0.77 0.334 -0.0241 -0.97 -1.2312 -0.9934 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L03 compound treatment 0.341 -0.0133 -0.5 0.34 -0.0181 -0.73 -0.8721 -0.9837 1157 NINDS_000541 CC(=O)N1CCN(CC1)c2ccc(OCC3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L04 compound treatment 0.335 -0.0193 -0.73 0.335 -0.0231 -0.93 -1.1758 -0.9929 1158 NINDS_000542 C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L05 compound treatment 0.341 -0.0133 -0.5 0.338 -0.0201 -0.81 -0.9291 -0.9739 1159 NINDS_000543 Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L06 compound treatment 0.344 -0.0103 -0.39 0.348 -0.0101 -0.41 -0.5635 -0.9998 1160 NINDS_000544 OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L07 compound treatment 0.351 -0.00326 -0.12 0.353 -0.0051 -0.21 -0.233 -0.9705 3045799 NINDS_000545 NC(=Nc1nc(CSCC/C(=N\S(=O)(=O)N)/N)cs1)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L08 compound treatment 0.116 -0.238 -9.05 0.11 -0.248 -10.0 -13.4717 -0.9988 1162 NINDS_000546 Cc1c(NC(=O)c2cccnc2)c(=O)n(c3ccccc3)n1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L09 compound treatment 0.354 -2.58E-4 -0.01 0.353 -0.0051 -0.21 -0.1524 -0.74 1163 NINDS_000547 Oc1ccc2C[C@H]3N(CC4CC4)CCC5([C@H]6Oc1c25)[C@@]3(O)CCC6=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L10 compound treatment 0.316 -0.0383 -1.45 0.33 -0.0281 -1.13 -1.8288 -0.9924 1164 NINDS_000548 CCN(CC)C(=O)N1CCN(C)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L11 compound treatment 0.386 0.0317 1.21 0.37 0.0119 0.48 1.1919 0.9183 1000123 NINDS_000549 CC(=O)OCC(=O)[C@@]1(O)[C@@H](CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L12 compound treatment 0.361 0.00674 0.26 0.358 -1.03E-4 0.0 0.1782 0.6955 3174224 NINDS_000550 CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c4c(O)c(\C=N/N5CCN(C)CC5)c(NC(=O)/C(=C\C=C\C(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(=O)C)[C@@H]1C)/C)c(O)c4c(O)c3C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L13 compound treatment 0.375 0.0207 0.79 0.368 0.0099 0.4 0.8393 0.9502 1167 NINDS_000551 NCCCCCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L14 compound treatment 0.374 0.0197 0.75 0.371 0.0129 0.52 0.898 0.9839 1168 NINDS_000552 CC12CCC3C(CCc4cc(OCc5ccccc5)ccc34)C2C[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L15 compound treatment 0.368 0.0137 0.52 0.363 0.0049 0.2 0.5088 0.9114 1169 NINDS_000553 C[C@@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C2CC[C@@]1(O)C#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L16 compound treatment 0.36 0.00574 0.22 0.364 0.0059 0.24 0.3223 0.9991 1170 NINDS_000554 CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]2C[C@H]3C4C[C@H](F)C5=CC(=O)C=CC5(C)[C@@]4(F)[C@@H](O)C[C@@]31C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L17 compound treatment 0.376 0.0217 0.83 0.371 0.0129 0.52 0.9517 0.975 1171 NINDS_000555 CC(=O)Oc1ccccc1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L18 compound treatment 0.366 0.0117 0.45 0.363 0.0049 0.2 0.455 0.9327 430 NINDS_000556 NC(=O)NO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L19 compound treatment 0.368 0.0137 0.52 0.362 0.0039 0.16 0.4803 0.8808 1172 NINDS_000557 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L20 compound treatment 0.369 0.0147 0.56 0.363 0.0049 0.2 0.5357 0.9019 1000124 NINDS_000558 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L21 compound treatment 0.375 0.0207 0.79 0.37 0.0119 0.48 0.8963 0.9716 1174 NINDS_000559 CN(C)CCCN1c2ccccc2CCc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L22 compound treatment 0.368 0.0137 0.52 0.365 0.0069 0.28 0.5658 0.9564 1175 NINDS_000560 Nc1ccc(cc1)S(=O)(=O)Nc2nccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L23 positive control 0.079 -0.275 -10.46 0.076 -0.282 -11.37 -15.4347 -0.9991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 L24 positive control 0.079 -0.275 -10.46 0.077 -0.281 -11.33 -15.4062 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M01 mock treatment 0.337 -0.0173 -0.66 0.338 -0.0201 -0.81 -1.0366 -0.9945 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M02 mock treatment 0.327 -0.0273 -1.04 0.326 -0.0321 -1.29 -1.6472 -0.9939 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M03 compound treatment 0.386 0.0317 1.21 0.385 0.0269 1.08 1.6193 0.9986 1176 NINDS_000561 CC[C@@H](CO)NCCN[C@@H](CC)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M04 compound treatment 0.344 -0.0103 -0.39 0.345 -0.0131 -0.53 -0.649 -0.9889 3174226 NINDS_000562 CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(cc1)S(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M05 compound treatment 0.333 -0.0213 -0.81 0.333 -0.0251 -1.01 -1.2865 -0.9938 1177 NINDS_000563 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M06 compound treatment 0.346 -0.00826 -0.31 0.345 -0.0131 -0.53 -0.5953 -0.9691 3174227 NINDS_000564 CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45C(O)C3[C@@H]1CC2[C@@H]5N(C)c6ccccc64 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M07 compound treatment 0.393 0.0387 1.47 0.39 0.0319 1.29 1.9499 0.9977 1179 NINDS_000565 CC12CC[C@H]3C(CCc4cc(O)ccc34)[C@@H]2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M08 compound treatment 0.354 -2.58E-4 -0.01 0.352 -0.0061 -0.25 -0.1808 -0.7347 1180 NINDS_000566 Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M09 compound treatment 0.355 7.42E-4 0.03 0.352 -0.0061 -0.25 -0.154 -0.622 1181 NINDS_000567 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M10 compound treatment 0.354 -2.58E-4 -0.01 0.349 -0.0091 -0.37 -0.2663 -0.7258 3471107 NINDS_000568 NC(=O)c1cc[n+](CC2=C(N3C(SC2)C(NC(=O)C(c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M11 compound treatment 0.36 0.00574 0.22 0.358 -1.03E-4 0.0 0.1513 0.6935 3174228 NINDS_000569 CN[C@H]1C(O)C(O)C(CO)OC1OC2[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)OC(C)[C@]2(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M12 compound treatment 0.367 0.0127 0.48 0.363 0.0049 0.2 0.4819 0.9217 1184 NINDS_000570 Nc1ncnc2n(cnc12)C3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M13 compound treatment 0.367 0.0127 0.48 0.366 0.0079 0.32 0.5674 0.9793 1000126 NINDS_000571 C[C@H](CCC(=O)O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M14 compound treatment 0.362 0.00774 0.29 0.362 0.0039 0.16 0.3191 0.9568 338 NINDS_000572 Nc1ccncc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M15 compound treatment 0.362 0.00774 0.29 0.359 8.97E-4 0.04 0.2336 0.788 1186 NINDS_000573 Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M16 compound treatment 0.353 -0.00126 -0.05 0.348 -0.0101 -0.41 -0.3217 -0.7847 1187 NINDS_000574 C[C@@]12CCC3C(CCc4cc(OS(=O)(=O)O)ccc34)C2CC[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M17 compound treatment 0.368 0.0137 0.52 0.366 0.0079 0.32 0.5943 0.9718 1188 NINDS_000575 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M18 compound treatment 0.371 0.0167 0.64 0.369 0.0109 0.44 0.7604 0.9836 1189 NINDS_000576 CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M19 compound treatment 0.338 -0.0163 -0.62 0.335 -0.0231 -0.93 -1.0952 -0.9802 1190 NINDS_000577 Nc1c2C(O)CCCc2nc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M20 compound treatment 0.367 0.0127 0.48 0.366 0.0079 0.32 0.5674 0.9793 1191 NINDS_000578 Oc1c(Cl)cc(Cl)c2cccnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M21 compound treatment 0.374 0.0197 0.75 0.37 0.0119 0.48 0.8695 0.9766 1192 NINDS_000579 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M22 compound treatment 0.371 0.0167 0.64 0.374 0.0159 0.64 0.9028 1.0 1193 NINDS_000580 CCOc1ccc(NC(=O)C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M23 positive control 0.082 -0.272 -10.35 0.08 -0.278 -11.21 -15.2401 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 M24 positive control 0.082 -0.272 -10.35 0.08 -0.278 -11.21 -15.2401 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N01 mock treatment 0.326 -0.0283 -1.07 0.324 -0.0341 -1.37 -1.7311 -0.9926 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N02 mock treatment 0.325 -0.0293 -1.11 0.321 -0.0371 -1.5 -1.8434 -0.9894 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N03 compound treatment 0.328 -0.0263 -1.0 0.328 -0.0301 -1.21 -1.5633 -0.9953 41 NINDS_000581 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N04 compound treatment 0.309 -0.0453 -1.72 0.308 -0.0501 -2.02 -2.6438 -0.9968 1194 NINDS_000582 CC(=O)N=c1sc(nn1C)S(=O)(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N05 compound treatment 0.336 -0.0183 -0.69 0.329 -0.0291 -1.17 -1.3199 -0.9686 1195 NINDS_000583 C[C@@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]2(O)CCC1C5=CC(=O)OC5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N06 compound treatment 0.343 -0.0113 -0.43 0.34 -0.0181 -0.73 -0.8184 -0.9677 1196 NINDS_000584 CCCOc1ccccc1c2nc3[nH]nnc3c(=O)[nH]2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N07 compound treatment 0.348 -0.00626 -0.24 0.345 -0.0131 -0.53 -0.5415 -0.9351 3174345 NINDS_000585 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N.OC(=O)c1cc(ccc1O)S(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N08 compound treatment 0.357 0.00274 0.1 0.351 -0.0071 -0.29 -0.1287 -0.4226 1198 NINDS_000586 Cn1cnc([N+](=O)[O-])c1Sc2[nH]cnc3ncnc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N09 compound treatment 0.359 0.00474 0.18 0.354 -0.0041 -0.17 0.0105 0.0429 1199 NINDS_000587 CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N10 compound treatment 0.358 0.00374 0.14 0.352 -0.0061 -0.25 -0.0734 -0.2582 1200 NINDS_000588 NC1C[C@H]1c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N11 compound treatment 0.363 0.00874 0.33 0.358 -1.03E-4 0.0 0.232 0.6982 1201 NINDS_000589 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N12 compound treatment 0.388 0.0337 1.28 0.379 0.0209 0.84 1.5021 0.9792 1202 NINDS_000590 COc1ccc2CN(C)CC[C@]34C=C[C@H](O)C[C@@H]4Oc1c23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N13 compound treatment 0.377 0.0227 0.86 0.372 0.0139 0.56 1.0071 0.9779 1203 NINDS_000591 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N14 compound treatment 0.375 0.0207 0.79 0.37 0.0119 0.48 0.8963 0.9716 1204 NINDS_000592 CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N15 compound treatment 0.366 0.0117 0.45 0.366 0.0079 0.32 0.5405 0.9863 818 NINDS_000593 CCC1(CC)C(=O)NC=CC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N16 compound treatment 0.37 0.0157 0.6 0.366 0.0079 0.32 0.648 0.9564 1205 NINDS_000594 CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N17 compound treatment 0.368 0.0137 0.52 0.365 0.0069 0.28 0.5658 0.9564 1206 NINDS_000595 CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@@]53C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N18 compound treatment 0.371 0.0167 0.64 0.366 0.0079 0.32 0.6749 0.9487 1207 NINDS_000596 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N19 compound treatment 0.368 0.0137 0.52 0.367 0.0089 0.36 0.6228 0.9832 1208 NINDS_000597 CNC[C@H](O)c1cccc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N20 compound treatment 0.375 0.0207 0.79 0.375 0.0169 0.68 1.0388 0.9973 1209 NINDS_000598 CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N21 compound treatment 0.372 0.0177 0.67 0.377 0.0189 0.76 1.0152 0.9982 1210 NINDS_000599 CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N22 compound treatment 0.373 0.0187 0.71 0.374 0.0159 0.64 0.9566 0.9986 1211 NINDS_000600 CON 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N23 positive control 0.081 -0.273 -10.38 0.08 -0.278 -11.21 -15.267 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 N24 positive control 0.08 -0.274 -10.42 0.08 -0.278 -11.21 -15.2938 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O01 mock treatment 0.328 -0.0263 -1.0 0.322 -0.0361 -1.45 -1.7343 -0.9831 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O02 mock treatment 0.312 -0.0423 -1.61 0.309 -0.0491 -1.98 -2.5347 -0.9946 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O03 compound treatment 0.315 -0.0393 -1.49 0.311 -0.0471 -1.9 -2.3971 -0.9929 1212 NINDS_000601 CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O04 compound treatment 0.315 -0.0393 -1.49 0.317 -0.0411 -1.66 -2.2261 -0.9986 1213 NINDS_000602 CNCCc1ccccn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O05 compound treatment 0.335 -0.0193 -0.73 0.322 -0.0361 -1.45 -1.5462 -0.9494 1214 NINDS_000603 CCOC(=O)Nc1c[n+](no1)N2CCOCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O06 compound treatment 0.344 -0.0103 -0.39 0.346 -0.0121 -0.49 -0.6205 -0.9938 1215 NINDS_000604 CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O07 compound treatment 0.337 -0.0173 -0.66 0.343 -0.0151 -0.61 -0.8941 -0.9993 1216 NINDS_000605 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2C[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O08 compound treatment 0.12 -0.234 -8.9 0.118 -0.24 -9.68 -13.1362 -0.9991 1000127 NINDS_000606 CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O09 compound treatment 0.356 0.00174 0.07 0.35 -0.0081 -0.33 -0.1841 -0.5525 1218 NINDS_000607 CCCCNc1ccc(cc1)C(=O)OCCN(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O10 compound treatment 0.35 -0.00426 -0.16 0.336 -0.0221 -0.89 -0.7442 -0.8221 1219 NINDS_000608 CC[C@@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C2CC[C@@]1(O)C#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O11 compound treatment 0.351 -0.00326 -0.12 0.343 -0.0151 -0.61 -0.5179 -0.8339 1220 NINDS_000609 CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O12 compound treatment 0.358 0.00374 0.14 0.351 -0.0071 -0.29 -0.1019 -0.3187 1221 NINDS_000610 CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O13 compound treatment 0.357 0.00274 0.1 0.352 -0.0061 -0.25 -0.1002 -0.3753 1222 NINDS_000611 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O14 compound treatment 0.367 0.0127 0.48 0.365 0.0069 0.28 0.5389 0.9653 1223 NINDS_000612 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O15 compound treatment 0.36 0.00574 0.22 0.357 -0.0011 -0.04 0.1228 0.5517 1224 NINDS_000613 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2CC[C@@H]1OC(=O)CCC5CCCC5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O16 compound treatment 0.366 0.0117 0.45 0.363 0.0049 0.2 0.455 0.9327 1225 NINDS_000614 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O17 compound treatment 0.382 0.0277 1.05 0.383 0.0249 1.0 1.4549 0.9997 3046099 NINDS_000615 NC[C@@H]1O[C@H](OC2[C@@H](O)[C@H](O[C@@H]3[C@H](N)[C@@H](O)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O18 compound treatment 0.381 0.0267 1.02 0.374 0.0159 0.64 1.1715 0.9752 1227 NINDS_000616 NCCCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O19 compound treatment 0.365 0.0107 0.41 0.362 0.0039 0.16 0.3997 0.9138 1228 NINDS_000617 CC[Hg]Sc1ccccc1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O20 compound treatment 0.368 0.0137 0.52 0.367 0.0089 0.36 0.6228 0.9832 28 NINDS_000618 CNc1ccc2oc(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]4C)nc2c1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O21 compound treatment 0.371 0.0167 0.64 0.369 0.0109 0.44 0.7604 0.9836 121 NINDS_000619 OC(=O)c1cc(ccc1NCCCc2ccccc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O22 compound treatment 0.374 0.0197 0.75 0.372 0.0139 0.56 0.9265 0.9896 1229 NINDS_000620 CC(=O)N[C@H]1[C@@H](O)C[C@](O)(O[C@@H]1C(O)[C@H](O)CO)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O23 positive control 0.084 -0.27 -10.27 0.084 -0.274 -11.05 -15.0724 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 O24 positive control 0.084 -0.27 -10.27 0.085 -0.273 -11.01 -15.0439 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P01 mock treatment 0.322 -0.0323 -1.23 0.323 -0.0351 -1.41 -1.867 -0.9975 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P02 mock treatment 0.323 -0.0313 -1.19 0.314 -0.0441 -1.78 -2.0966 -0.9808 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P03 compound treatment 0.32 -0.0343 -1.3 0.319 -0.0391 -1.58 -2.0348 -0.9955 1000128 NINDS_000621 CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC21C)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P04 compound treatment 0.336 -0.0183 -0.69 0.333 -0.0251 -1.01 -1.2059 -0.9831 1231 NINDS_000622 CC(C)C[C@H](NC(=O)C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P05 compound treatment 0.342 -0.0123 -0.47 0.34 -0.0181 -0.73 -0.8452 -0.9765 1232 NINDS_000623 OC1=C(O)C(=O)C(=C(O)C1=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P06 compound treatment 0.35 -0.00426 -0.16 0.344 -0.0141 -0.57 -0.5163 -0.8737 436 NINDS_000624 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P07 compound treatment 0.36 0.00574 0.22 0.355 -0.0031 -0.13 0.0659 0.2619 1233 NINDS_000625 CO[C@@H]1[C@@H](O)[C@H](C)O[C@H](O[C@H]2CC[C@@]3(C=O)[C@H](CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P08 compound treatment 0.388 0.0337 1.28 0.375 0.0169 0.68 1.3881 0.9561 1234 NINDS_000626 C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]4(C)C=CC(=O)C=C14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P09 compound treatment 0.357 0.00274 0.1 0.358 -1.03E-4 0.0 0.0707 0.6783 1235 NINDS_000627 CCOC(=O)CCCCCCCCCCCCC1CCC=C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P10 compound treatment 0.376 0.0217 0.83 0.364 0.0059 0.24 0.7522 0.875 1236 NINDS_000628 OCc1cc2c(cn1)[nH]c3ccccc32 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P11 compound treatment 0.365 0.0107 0.41 0.359 8.97E-4 0.04 0.3142 0.7667 1237 NINDS_000629 CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P12 compound treatment 0.368 0.0137 0.52 0.366 0.0079 0.32 0.5943 0.9718 1238 NINDS_000630 Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P13 compound treatment 0.509 0.155 5.88 0.489 0.131 5.27 7.8878 0.9985 1239 NINDS_000631 C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P14 compound treatment 0.368 0.0137 0.52 0.366 0.0079 0.32 0.5943 0.9718 1240 NINDS_000632 CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P15 compound treatment 0.376 0.0217 0.83 0.37 0.0119 0.48 0.9232 0.9665 1241 NINDS_000633 NC(=N)NS(=O)(=O)c1ccc(N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P16 compound treatment 0.376 0.0217 0.83 0.369 0.0109 0.44 0.8947 0.9562 1242 NINDS_000634 CN(CS(=O)(=O)O)c1c(C)n(C)n(c2ccccc2)c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P17 compound treatment 0.378 0.0237 0.9 0.37 0.0119 0.48 0.9769 0.9562 1243 NINDS_000635 OC[C@H]1OC(C[C@H]1O)n2cc(F)c(=O)[nH]c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P18 compound treatment 0.382 0.0277 1.05 0.377 0.0189 0.76 1.2839 0.9872 1244 NINDS_000636 C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P19 compound treatment 0.378 0.0237 0.9 0.375 0.0169 0.68 1.1194 0.9904 3046112 NINDS_000637 CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@@]2(O1)C(=O)CCl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P20 compound treatment 0.383 0.0287 1.09 0.381 0.0229 0.92 1.4247 0.9965 1246 NINDS_000638 CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P21 compound treatment 0.382 0.0277 1.05 0.379 0.0209 0.84 1.3409 0.9938 1247 NINDS_000639 Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P22 compound treatment 0.374 0.0197 0.75 0.374 0.0159 0.64 0.9834 0.9969 1000060 NINDS_000640 COC(=O)C1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P23 positive control 0.092 -0.262 -9.97 0.092 -0.266 -10.72 -14.6295 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.501 P24 positive control 0.102 -0.252 -9.59 0.085 -0.273 -11.01 -14.5602 -0.9976 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A01 mock treatment 0.38 0.0216 0.82 0.38 0.0269 1.09 1.349 0.9907 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A02 mock treatment 0.358 -3.55E-4 -0.01 0.356 0.00293 0.12 0.074 0.6223 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A03 compound treatment 0.351 -0.00735 -0.28 0.354 9.31E-4 0.04 -0.1711 -0.6067 1248 NINDS_000641 C[C@@]12CCC3C(CCc4cc(OC(=O)CCC(=O)O)ccc34)C2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A04 compound treatment 0.361 0.00265 0.1 0.358 0.00493 0.2 0.2116 0.9502 1249 NINDS_000642 C[N+](C)(C)CC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A05 compound treatment 0.354 -0.00435 -0.17 0.353 -6.9E-5 0.0 -0.119 -0.7189 1250 NINDS_000643 COc1cc(C)c2c(=O)cc(oc2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A06 compound treatment 0.356 -0.00235 -0.09 0.358 0.00493 0.2 0.0772 0.3544 1251 NINDS_000644 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A07 compound treatment 0.357 -0.00135 -0.05 0.364 0.0109 0.44 0.2751 0.6202 1252 NINDS_000645 CC(C)NCC(O)c1cc(O)cc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A08 compound treatment 0.357 -0.00135 -0.05 0.362 0.00893 0.36 0.2181 0.5998 1253 NINDS_000646 C[C@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@@H]1C)C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A09 compound treatment 0.359 6.45E-4 0.02 0.357 0.00393 0.16 0.1293 0.8069 1254 NINDS_000647 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A10 compound treatment 0.358 -3.55E-4 -0.01 0.362 0.00893 0.36 0.2449 0.6801 1255 NINDS_000648 NC(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A11 compound treatment 0.367 0.00865 0.33 0.366 0.0129 0.52 0.6008 0.9753 1256 NINDS_000649 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A12 compound treatment 0.365 0.00665 0.25 0.371 0.0179 0.72 0.6895 0.9008 1257 NINDS_000650 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A13 compound treatment 0.363 0.00465 0.18 0.361 0.00793 0.32 0.3508 0.9608 1258 NINDS_000651 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCNCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A14 compound treatment 0.368 0.00965 0.37 0.36 0.00693 0.28 0.4567 0.991 1259 NINDS_000652 CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A15 compound treatment 0.358 -3.55E-4 -0.01 0.356 0.00293 0.12 0.074 0.6223 1260 NINDS_000653 N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A16 compound treatment 0.361 0.00265 0.1 0.364 0.0109 0.44 0.3825 0.8467 1261 NINDS_000654 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A17 compound treatment 0.365 0.00665 0.25 0.363 0.00993 0.4 0.4615 0.9754 1262 NINDS_000655 NC[C@H]1CC[C@@H](CC1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A18 compound treatment 0.365 0.00665 0.25 0.363 0.00993 0.4 0.4615 0.9754 1263 NINDS_000656 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A19 compound treatment 0.363 0.00465 0.18 0.363 0.00993 0.4 0.4078 0.9323 1264 NINDS_000657 OCc1ccccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A20 compound treatment 0.36 0.00165 0.06 0.364 0.0109 0.44 0.3557 0.7995 1265 NINDS_000658 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A21 compound treatment 0.363 0.00465 0.18 0.358 0.00493 0.2 0.2653 0.9983 1266 NINDS_000659 CCn1cc(C(=O)O)c(=O)c2cc3OCOc3cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A22 compound treatment 0.363 0.00465 0.18 0.357 0.00393 0.16 0.2368 0.9985 1267 NINDS_000660 CC(=O)Nc1ccc(O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A23 positive control 0.071 -0.287 -10.92 0.071 -0.282 -11.37 -15.7588 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 A24 positive control 0.072 -0.286 -10.88 0.071 -0.282 -11.37 -15.7319 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B01 mock treatment 0.382 0.0236 0.9 0.369 0.0159 0.64 1.0893 0.9864 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B02 mock treatment 0.362 0.00365 0.14 0.351 -0.00207 -0.08 0.039 0.2412 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B03 compound treatment 0.358 -3.55E-4 -0.01 0.356 0.00293 0.12 0.074 0.6223 1268 NINDS_000661 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B04 compound treatment 0.362 0.00365 0.14 0.363 0.00993 0.4 0.3809 0.8995 1269 NINDS_000662 CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B05 compound treatment 0.351 -0.00735 -0.28 0.356 0.00293 0.12 -0.1141 -0.3761 1270 NINDS_000663 C[N+](C)(C)CCCCCC[N+](C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B06 compound treatment 0.358 -3.55E-4 -0.01 0.353 -6.9E-5 0.0 -0.0115 -0.8353 1271 NINDS_000664 CC(=O)OC(CC(=O)O)[N+](C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B07 compound treatment 0.37 0.0116 0.44 0.361 0.00793 0.32 0.5389 0.9872 1272 NINDS_000665 Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B08 compound treatment 0.364 0.00565 0.21 0.366 0.0129 0.52 0.5201 0.9231 1273 NINDS_000666 C[C@@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B09 compound treatment 0.378 0.0196 0.75 0.363 0.00993 0.4 0.8109 0.9573 1274 NINDS_000667 C1CN2C[C@@H](N=C2S1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B10 compound treatment 0.366 0.00765 0.29 0.361 0.00793 0.32 0.4314 0.9989 1275 NINDS_000668 CC(=O)NCCc1c[nH]c2ccc(O)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B11 compound treatment 0.369 0.0106 0.4 0.362 0.00893 0.36 0.5405 0.9983 1000129 NINDS_000669 CC1(C)[C@H](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)OC(=O)CCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B12 compound treatment 0.363 0.00465 0.18 0.361 0.00793 0.32 0.3508 0.9608 1277 NINDS_000670 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)C(CCC7C6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B13 compound treatment 0.363 0.00465 0.18 0.374 0.0209 0.84 0.7212 0.837 1278 NINDS_000671 COc1ccc(cc1O)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B14 compound treatment 0.363 0.00465 0.18 0.368 0.0149 0.6 0.5503 0.8776 1279 NINDS_000672 N[C@@H]([C@@H]1CC(=NO1)Cl)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B15 compound treatment 0.365 0.00665 0.25 0.361 0.00793 0.32 0.4045 0.9932 1280 NINDS_000673 NCCNC(=O)c1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B16 compound treatment 0.364 0.00565 0.21 0.365 0.0119 0.48 0.4917 0.9339 3174477 NINDS_000674 CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6CC(=O)C(NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c7ccc(O)c(c7)-c8c(O)cc(O)cc8[C@@H](NC6=O)C(=O)O)c3O[C@@H]9OC(CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B17 compound treatment 0.36 0.00165 0.06 0.367 0.0139 0.56 0.4412 0.781 1282 NINDS_000675 NS(=O)(=O)c1cc2c(N=CNS2(=O)=O)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B18 compound treatment 0.366 0.00765 0.29 0.362 0.00893 0.36 0.4599 0.9944 3046211 NINDS_000676 CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)/[C@@H](OC4C[C@H](OC)C(O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6\CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]76O)C)O2)C=C[C@@H]1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B19 compound treatment 0.362 0.00365 0.14 0.36 0.00693 0.28 0.2954 0.9477 1284 NINDS_000677 OC(=O)CN(CC(=O)O)Cc1cc2c(c3ccccc3C(=O)O)c4cc(CN(CC(=O)O)CC(=O)O)c(=O)cc4oc2cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B20 compound treatment 0.369 0.0106 0.4 0.364 0.0109 0.44 0.5975 0.9991 1285 NINDS_000678 CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B21 compound treatment 0.368 0.00965 0.37 0.365 0.0119 0.48 0.5991 0.991 1286 NINDS_000679 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B22 compound treatment 0.357 -0.00135 -0.05 0.359 0.00593 0.24 0.1326 0.5423 1287 NINDS_000680 CC(=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OS(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B23 positive control 0.071 -0.287 -10.92 0.07 -0.283 -11.41 -15.7872 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 B24 positive control 0.072 -0.286 -10.88 0.071 -0.282 -11.37 -15.7319 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C01 mock treatment 0.382 0.0236 0.9 0.372 0.0189 0.76 1.1748 0.9967 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C02 mock treatment 0.362 0.00365 0.14 0.349 -0.00407 -0.16 -0.018 -0.0838 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C03 compound treatment 0.396 0.0376 1.43 0.386 0.0329 1.33 1.9499 0.9993 1288 NINDS_000681 CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3[C@H]1C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C04 compound treatment 0.357 -0.00135 -0.05 0.363 0.00993 0.4 0.2466 0.6111 1289 NINDS_000682 C[C@@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C05 compound treatment 0.35 -0.00835 -0.32 0.351 -0.00207 -0.08 -0.2835 -0.8635 1290 NINDS_000683 OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C06 compound treatment 0.358 -3.55E-4 -0.01 0.357 0.00393 0.16 0.1025 0.6446 1291 NINDS_000684 CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C07 compound treatment 0.365 0.00665 0.25 0.36 0.00693 0.28 0.3761 0.9987 1292 NINDS_000685 O=c1[nH]cnc2[nH]ncc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C08 compound treatment 0.365 0.00665 0.25 0.365 0.0119 0.48 0.5185 0.9548 1293 NINDS_000686 CC(=O)OCC[N+](C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C09 compound treatment 0.364 0.00565 0.21 0.36 0.00693 0.28 0.3492 0.9915 1294 NINDS_000687 CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C10 compound treatment 0.37 0.0116 0.44 0.359 0.00593 0.24 0.4819 0.9582 1295 NINDS_000688 OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C11 compound treatment 0.37 0.0116 0.44 0.361 0.00793 0.32 0.5389 0.9872 2550 NINDS_000689 O[C@@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C12 compound treatment 0.362 0.00365 0.14 0.362 0.00893 0.36 0.3524 0.9139 1000131 NINDS_000690 C1CCN2CC3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C13 compound treatment 0.366 0.00765 0.29 0.355 0.00193 0.08 0.2605 0.866 3174481 NINDS_000691 CNC[C@@H](O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C14 compound treatment 0.365 0.00665 0.25 0.359 0.00593 0.24 0.3476 0.9996 1297 NINDS_000692 COc1cc(CC=C)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C15 compound treatment 0.361 0.00265 0.1 0.356 0.00293 0.12 0.1546 0.9968 1298 NINDS_000693 CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C16 compound treatment 0.367 0.00865 0.33 0.363 0.00993 0.4 0.5153 0.9952 1299 NINDS_000694 Nc1ccc(cc1)C(=O)NCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C17 compound treatment 0.365 0.00665 0.25 0.363 0.00993 0.4 0.4615 0.9754 1300 NINDS_000695 OC(=O)c1cccnc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C18 compound treatment 0.36 0.00165 0.06 0.367 0.0139 0.56 0.4412 0.781 1301 NINDS_000696 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C19 compound treatment 0.363 0.00465 0.18 0.365 0.0119 0.48 0.4648 0.9075 1302 NINDS_000697 CC(C)CC1N2C(=O)[C@](NC(=O)C3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)[C@@H]7CCCN7C1=O)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C20 compound treatment 0.363 0.00465 0.18 0.363 0.00993 0.4 0.4078 0.9323 1303 NINDS_000698 C[N+]1(CCC2CC1)CC2OC(=O)C(O)(c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C21 compound treatment 0.368 0.00965 0.37 0.359 0.00593 0.24 0.4282 0.9785 1304 NINDS_000699 ClC1=C(Cl)C2(Cl)C3C4CC(C5OC54)C3C1(Cl)C2(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C22 compound treatment 0.363 0.00465 0.18 0.36 0.00693 0.28 0.3223 0.9755 1305 NINDS_000700 CCOC(=O)O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccc(OC)cc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C23 positive control 0.071 -0.287 -10.92 0.07 -0.283 -11.41 -15.7872 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 C24 positive control 0.072 -0.286 -10.88 0.073 -0.28 -11.29 -15.6749 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D01 mock treatment 0.378 0.0196 0.75 0.369 0.0159 0.64 0.9818 0.9972 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D02 mock treatment 0.354 -0.00435 -0.17 0.349 -0.00407 -0.16 -0.233 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D03 compound treatment 0.368 0.00965 0.37 0.349 -0.00407 -0.16 0.1432 0.3567 3046265 NINDS_000701 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D04 compound treatment 0.354 -0.00435 -0.17 0.354 9.31E-4 0.04 -0.0905 -0.5333 935 NINDS_000702 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D05 compound treatment 0.356 -0.00235 -0.09 0.351 -0.00207 -0.08 -0.1222 -0.9994 1307 NINDS_000703 ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D06 compound treatment 0.376 0.0176 0.67 0.354 9.31E-4 0.04 0.5007 0.7455 1308 NINDS_000704 CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D07 compound treatment 0.362 0.00365 0.14 0.362 0.00893 0.36 0.3524 0.9139 3046268 NINDS_000705 Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D08 compound treatment 0.365 0.00665 0.25 0.361 0.00793 0.32 0.4045 0.9932 1310 NINDS_000706 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D09 compound treatment 0.372 0.0136 0.52 0.358 0.00493 0.2 0.5072 0.9133 1311 NINDS_000707 C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D10 compound treatment 0.368 0.00965 0.37 0.357 0.00393 0.16 0.3712 0.9296 1312 NINDS_000708 C[As](=O)(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D11 compound treatment 0.366 0.00765 0.29 0.367 0.0139 0.56 0.6024 0.953 1313 NINDS_000709 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D12 compound treatment 0.363 0.00465 0.18 0.366 0.0129 0.52 0.4933 0.8966 1314 NINDS_000710 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D13 compound treatment 0.357 -0.00135 -0.05 0.359 0.00593 0.24 0.1326 0.5423 1315 NINDS_000711 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D14 compound treatment 0.368 0.00965 0.37 0.389 0.0359 1.45 1.283 0.859 1316 NINDS_000712 CC(C)(C)NCC(O)c1ccccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D15 compound treatment 0.358 -3.55E-4 -0.01 0.356 0.00293 0.12 0.074 0.6223 3046321 NINDS_000713 Nc1ncnc2n(cnc12)C3OC(CO)[C@H](O)C3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D16 compound treatment 0.378 0.0196 0.75 0.378 0.0249 1.0 1.2383 0.9893 1317 NINDS_000714 Fc1ccc(cc1)C(c2ccccc2)(c3ccccc3F)n4ccnc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D17 compound treatment 0.362 0.00365 0.14 0.358 0.00493 0.2 0.2385 0.9844 1318 NINDS_000715 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D18 compound treatment 0.394 0.0356 1.35 0.393 0.0399 1.61 2.0956 0.9963 1319 NINDS_000716 NCCCCN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D19 compound treatment 0.366 0.00765 0.29 0.358 0.00493 0.2 0.3459 0.9828 445 NINDS_000717 NC(=O)c1cccc(N)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D20 compound treatment 0.399 0.0406 1.54 0.385 0.0319 1.29 2.002 0.9959 2114344 NINDS_000718 CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D21 compound treatment 0.367 0.00865 0.33 0.351 -0.00207 -0.08 0.1733 0.5114 1321 NINDS_000719 Cc1cc(=O)[nH]c(=S)[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D22 compound treatment 0.365 0.00665 0.25 0.403 0.0499 2.01 1.6013 0.7897 1322 NINDS_000720 COc1cc2ccc(=O)oc2cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D23 positive control 0.072 -0.286 -10.88 0.071 -0.282 -11.37 -15.7319 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 D24 positive control 0.074 -0.284 -10.81 0.074 -0.279 -11.25 -15.5927 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E01 mock treatment 0.378 0.0196 0.75 0.369 0.0159 0.64 0.9818 0.9972 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E02 mock treatment 0.361 0.00265 0.1 0.353 -6.9E-5 0.0 0.0691 0.6873 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E03 compound treatment 0.364 0.00565 0.21 0.354 9.31E-4 0.04 0.1782 0.8184 1323 NINDS_000721 CC1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E04 compound treatment 0.331 -0.0274 -1.04 0.366 0.0129 0.52 -0.3666 -0.3153 1324 NINDS_000722 CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E05 compound treatment 0.356 -0.00235 -0.09 0.355 0.00193 0.08 -0.0083 -0.0696 1325 NINDS_000723 NC1(CCCC1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E06 compound treatment 0.364 0.00565 0.21 0.366 0.0129 0.52 0.5201 0.9231 1000132 NINDS_000724 CC1(C)C2CCC1(C)C(=O)C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E07 compound treatment 0.37 0.0116 0.44 0.367 0.0139 0.56 0.7099 0.9931 1327 NINDS_000725 C[N+](C)(C)CCOC(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E08 compound treatment 0.377 0.0186 0.71 0.372 0.0189 0.76 1.0404 0.9993 1328 NINDS_000726 OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E09 compound treatment 0.378 0.0196 0.75 0.371 0.0179 0.72 1.0388 0.9999 1329 NINDS_000727 NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E10 compound treatment 0.378 0.0196 0.75 0.378 0.0249 1.0 1.2383 0.9893 1330 NINDS_000728 ClCCN(CCCl)CCCl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E11 compound treatment 0.375 0.0166 0.63 0.374 0.0209 0.84 1.0437 0.9899 1331 NINDS_000729 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E12 compound treatment 0.367 0.00865 0.33 0.376 0.0229 0.92 0.8857 0.9031 451 NINDS_000730 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E13 compound treatment 0.372 0.0136 0.52 0.375 0.0219 0.88 0.9916 0.9677 1332 NINDS_000731 NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc32 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E14 compound treatment 0.344 -0.0144 -0.55 0.346 -0.00707 -0.28 -0.5871 -0.9541 1333 NINDS_000732 CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E15 compound treatment 0.375 0.0166 0.63 0.378 0.0249 1.0 1.1577 0.9751 1334 NINDS_000733 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E16 compound treatment 0.372 0.0136 0.52 0.366 0.0129 0.52 0.7351 1.0 1335 NINDS_000734 COc1cccc(C(=O)c2ccccc2O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E17 compound treatment 0.379 0.0206 0.78 0.364 0.0109 0.44 0.8662 0.9627 1336 NINDS_000735 CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E18 compound treatment 0.374 0.0156 0.59 0.372 0.0189 0.76 0.9598 0.9924 1337 NINDS_000736 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E19 compound treatment 0.374 0.0156 0.59 0.367 0.0139 0.56 0.8174 0.9996 1338 NINDS_000737 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E20 compound treatment 0.375 0.0166 0.63 0.366 0.0129 0.52 0.8157 0.9954 1339 NINDS_000738 CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E21 compound treatment 0.373 0.0146 0.56 0.373 0.0199 0.8 0.9614 0.9839 1340 NINDS_000739 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E22 compound treatment 0.366 0.00765 0.29 0.373 0.0199 0.8 0.7733 0.9055 1341 NINDS_000740 CC(=O)OCC(COC(=O)C)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E23 positive control 0.072 -0.286 -10.88 0.071 -0.282 -11.37 -15.7319 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 E24 positive control 0.078 -0.28 -10.65 0.075 -0.278 -11.21 -15.4567 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F01 mock treatment 0.385 0.0266 1.01 0.364 0.0109 0.44 1.0274 0.9305 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F02 mock treatment 0.35 -0.00835 -0.32 0.355 0.00193 0.08 -0.1695 -0.5185 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F03 compound treatment 0.351 -0.00735 -0.28 0.352 -0.00107 -0.04 -0.2281 -0.8066 1342 NINDS_000741 CN(C)C(=S)SSC(=S)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F04 compound treatment 0.357 -0.00135 -0.05 0.356 0.00293 0.12 0.0471 0.3656 1343 NINDS_000742 COC1=CC(C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(=C(OC)C(=O)C([C@@]34C)[C@@]2(C)C1=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F05 compound treatment 0.35 -0.00835 -0.32 0.36 0.00693 0.28 -0.027 -0.0639 1344 NINDS_000743 CCCC(=O)O[C@@]1(CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F06 compound treatment 0.362 0.00365 0.14 0.359 0.00593 0.24 0.2669 0.9664 1000133 NINDS_000744 C[C@@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F07 compound treatment 0.364 0.00565 0.21 0.362 0.00893 0.36 0.4062 0.9694 1346 NINDS_000745 CCN(CC)CCNC(=O)COc1ccc(OC)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F08 compound treatment 0.367 0.00865 0.33 0.359 0.00593 0.24 0.4013 0.9878 1347 NINDS_000746 CC1=CCCC2(C)CCC3C(OC(=O)C3=C)C12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F09 compound treatment 0.371 0.0126 0.48 0.353 -6.9E-5 0.0 0.3378 0.703 1348 NINDS_000747 Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F10 compound treatment 0.367 0.00865 0.33 0.369 0.0159 0.64 0.6862 0.9516 3046390 NINDS_000748 CCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F11 compound treatment 0.367 0.00865 0.33 0.362 0.00893 0.36 0.4868 0.999 924 NINDS_000749 NC(=N)NC(=N)Nc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F12 compound treatment 0.36 0.00165 0.06 0.351 -0.00207 -0.08 -0.0147 -0.1415 3172708 NINDS_000750 CCC(C)C(=O)O[C@H]1[C@H](O)C2C(CN3CC(C)CCC3[C@@]2(C)O)C4C[C@]5(O[C@@]6(O)C7C(OC(=O)C)[C@@H](OC(=O)C)C5[C@@]41O)[C@@]7(C)CCC6OC(=O)C(C)(O)C(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F13 compound treatment 0.361 0.00265 0.1 0.37 0.0169 0.68 0.5535 0.8026 1350 NINDS_000751 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F14 compound treatment 0.364 0.00565 0.21 0.365 0.0119 0.48 0.4917 0.9339 1351 NINDS_000752 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F15 compound treatment 0.37 0.0116 0.44 0.358 0.00493 0.2 0.4534 0.9347 1352 NINDS_000753 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F16 compound treatment 0.372 0.0136 0.52 0.37 0.0169 0.68 0.8491 0.9908 1353 NINDS_000754 COC(=O)/C(=C/1\OC(=O)C(C1=O)c2ccccc2)/c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F17 compound treatment 0.37 0.0116 0.44 0.364 0.0109 0.44 0.6244 1.0 1354 NINDS_000755 OS(=O)(=O)CCS 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F18 compound treatment 0.374 0.0156 0.59 0.364 0.0109 0.44 0.7319 0.9891 1355 NINDS_000756 CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@@]53C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F19 compound treatment 0.362 0.00365 0.14 0.367 0.0139 0.56 0.4949 0.8559 1356 NINDS_000757 Oc1cccc2cccnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F20 compound treatment 0.367 0.00865 0.33 0.36 0.00693 0.28 0.4298 0.9967 1357 NINDS_000758 CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F21 compound treatment 0.367 0.00865 0.33 0.363 0.00993 0.4 0.5153 0.9952 1358 NINDS_000759 CN(CCCl)CCCl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F22 compound treatment 0.365 0.00665 0.25 0.357 0.00393 0.16 0.2906 0.9748 1359 NINDS_000760 C[C@H]1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)O[C@@]61CCC(C)CN6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F23 positive control 0.079 -0.279 -10.62 0.072 -0.281 -11.33 -15.5153 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 F24 positive control 0.077 -0.281 -10.69 0.075 -0.278 -11.21 -15.4835 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G01 mock treatment 0.38 0.0216 0.82 0.366 0.0129 0.52 0.9501 0.9757 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G02 mock treatment 0.351 -0.00735 -0.28 0.346 -0.00707 -0.28 -0.3991 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G03 compound treatment 0.364 0.00565 0.21 0.346 -0.00707 -0.28 -0.0497 -0.1395 1360 NINDS_000761 Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G04 compound treatment 0.353 -0.00535 -0.2 0.361 0.00793 0.32 0.0821 0.2167 1361 NINDS_000762 Clc1cc(Cl)c(OCC#CI)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G05 compound treatment 0.353 -0.00535 -0.2 0.349 -0.00407 -0.16 -0.2598 -0.9943 1362 NINDS_000763 COc1c2occc2cc3ccc(=O)oc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G06 compound treatment 0.356 -0.00235 -0.09 0.359 0.00593 0.24 0.1057 0.4143 1363 NINDS_000764 CCOC(=O)CCC(=O)O[C@@H]1[C@H](C[C@@H](C)O[C@H]1O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G07 compound treatment 0.365 0.00665 0.25 0.366 0.0129 0.52 0.547 0.9447 1364 NINDS_000765 OC(=O)/C(=C/c1cccc(O)c1)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G08 compound treatment 0.364 0.00565 0.21 0.359 0.00593 0.24 0.3207 0.9985 1365 NINDS_000766 CN(C)CCC=C1c2ccccc2CCc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G09 compound treatment 0.367 0.00865 0.33 0.357 0.00393 0.16 0.3443 0.944 3172713 NINDS_000767 CO/N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)\c3csc(N)n3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G10 compound treatment 0.358 -3.55E-4 -0.01 0.354 9.31E-4 0.04 0.017 0.4263 1367 NINDS_000768 Cc1cc(O)ccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G11 compound treatment 0.368 0.00965 0.37 0.382 0.0289 1.17 1.0835 0.8866 1368 NINDS_000769 CCC(C)C(N)C1=NC(CS1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NCCCCC2NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc4ccccc4)NC(=O)C(NC(=O)C(CCCN)NC2=O)C(C)CC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G12 compound treatment 0.365 0.00665 0.25 0.358 0.00493 0.2 0.3191 0.993 3172714 NINDS_000770 C[n+]1ccccc1/C=N/O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G13 compound treatment 0.362 0.00365 0.14 0.366 0.0129 0.52 0.4664 0.865 1370 NINDS_000771 C/C=C(/C(=C/C)/c1ccc(O)cc1)\c2ccc(O)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G14 compound treatment 0.368 0.00965 0.37 0.361 0.00793 0.32 0.4852 0.9977 1371 NINDS_000772 CN(C)c1nc(nc(n1)N(C)C)N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G15 compound treatment 0.371 0.0126 0.48 0.364 0.0109 0.44 0.6513 0.9991 1372 NINDS_000773 OC(=O)c1cccnc1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G16 compound treatment 0.361 0.00265 0.1 0.365 0.0119 0.48 0.411 0.8369 448 NINDS_000774 Clc1cccc(Cl)c1N=C2NCCN2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G17 compound treatment 0.354 -0.00435 -0.17 0.371 0.0179 0.72 0.3939 0.5314 1373 NINDS_000775 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G18 compound treatment 0.362 0.00365 0.14 0.367 0.0139 0.56 0.4949 0.8559 1374 NINDS_000776 Oc1c(Br)cc(Br)c2cccnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G19 compound treatment 0.362 0.00365 0.14 0.354 9.31E-4 0.04 0.1245 0.8674 1001324 NINDS_000777 OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G20 compound treatment 0.362 0.00365 0.14 0.368 0.0149 0.6 0.5234 0.8477 3172716 NINDS_000778 NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G21 compound treatment 0.368 0.00965 0.37 0.366 0.0129 0.52 0.6276 0.9852 1377 NINDS_000779 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G22 compound treatment 0.366 0.00765 0.29 0.36 0.00693 0.28 0.4029 0.9998 1378 NINDS_000780 NCCc1ccc(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G23 positive control 0.074 -0.284 -10.81 0.072 -0.281 -11.33 -15.6496 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 G24 positive control 0.079 -0.279 -10.62 0.076 -0.277 -11.16 -15.4013 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H01 mock treatment 0.382 0.0236 0.9 0.376 0.0229 0.92 1.2888 0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H02 mock treatment 0.367 0.00865 0.33 0.356 0.00293 0.12 0.3158 0.9046 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H03 compound treatment 0.36 0.00165 0.06 0.355 0.00193 0.08 0.0992 0.9941 1000134 NINDS_000781 Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H04 compound treatment 0.366 0.00765 0.29 0.362 0.00893 0.36 0.4599 0.9944 1380 NINDS_000782 NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H05 compound treatment 0.364 0.00565 0.21 0.363 0.00993 0.4 0.4347 0.9573 1381 NINDS_000783 Nc1ccc(cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H06 compound treatment 0.369 0.0106 0.4 0.37 0.0169 0.68 0.7685 0.9689 1382 NINDS_000784 OCCS 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H07 compound treatment 0.404 0.0456 1.73 0.374 0.0209 0.84 1.8229 0.9451 1383 NINDS_000785 CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2OC3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H08 compound treatment 0.37 0.0116 0.44 0.364 0.0109 0.44 0.6244 1.0 3045655 NINDS_000786 CC(=O)[C@@]1(O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H09 compound treatment 0.369 0.0106 0.4 0.375 0.0219 0.88 0.9109 0.9373 1384 NINDS_000787 COC(=O)[C@@H](N1CCc2sccc2C1)c3ccccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H10 compound treatment 0.379 0.0206 0.78 0.37 0.0169 0.68 1.0372 0.9976 1385 NINDS_000788 C(/C=C/N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H11 compound treatment 0.37 0.0116 0.44 0.369 0.0159 0.64 0.7669 0.9835 1386 NINDS_000789 CN1CC(c2ccccc2)c3cccc(N)c3C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H12 compound treatment 0.365 0.00665 0.25 0.355 0.00193 0.08 0.2336 0.884 1387 NINDS_000790 OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H13 compound treatment 0.37 0.0116 0.44 0.371 0.0179 0.72 0.8238 0.9723 1388 NINDS_000791 Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H14 compound treatment 0.374 0.0156 0.59 0.369 0.0159 0.64 0.8743 0.9993 1389 NINDS_000792 CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H15 compound treatment 0.366 0.00765 0.29 0.362 0.00893 0.36 0.4599 0.9944 3045662 NINDS_000793 CC(N)C(O)c1cccc(O)c1.OC(C(O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H16 compound treatment 0.369 0.0106 0.4 0.375 0.0219 0.88 0.9109 0.9373 1390 NINDS_000794 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H17 compound treatment 0.378 0.0196 0.75 0.377 0.0239 0.96 1.2098 0.992 1391 NINDS_000795 CC(N)C(O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H18 compound treatment 0.375 0.0166 0.63 0.361 0.00793 0.32 0.6733 0.95 3172720 NINDS_000796 CNC(C)[C@@H]1CC[C@@H](N)[C@@H](OC2[C@@H](N)C[C@@H](N)[C@H](OC3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H19 compound treatment 0.375 0.0166 0.63 0.366 0.0129 0.52 0.8157 0.9954 1393 NINDS_000797 CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H20 compound treatment 0.367 0.00865 0.33 0.375 0.0219 0.88 0.8572 0.9092 360 NINDS_000798 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H21 compound treatment 0.375 0.0166 0.63 0.372 0.0189 0.76 0.9867 0.9957 1394 NINDS_000799 BrCCC(=O)N1CCN(CC1)C(=O)CCBr 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H22 compound treatment 0.376 0.0176 0.67 0.373 0.0199 0.8 1.0421 0.996 1395 NINDS_000800 CC(COc1ccccc1)N(CCCl)Cc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H23 positive control 0.073 -0.285 -10.84 0.073 -0.28 -11.29 -15.648 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 H24 positive control 0.074 -0.284 -10.81 0.076 -0.277 -11.16 -15.5357 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I01 mock treatment 0.38 0.0216 0.82 0.369 0.0159 0.64 1.0356 0.9925 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I02 mock treatment 0.361 0.00265 0.1 0.354 9.31E-4 0.04 0.0976 0.9097 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I03 compound treatment 0.365 0.00665 0.25 0.358 0.00493 0.2 0.3191 0.993 1396 NINDS_000801 Cc1cc(O)cc(C)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I04 compound treatment 0.359 6.45E-4 0.02 0.358 0.00493 0.2 0.1578 0.7884 1397 NINDS_000802 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I05 compound treatment 0.364 0.00565 0.21 0.356 0.00293 0.12 0.2352 0.9605 1398 NINDS_000803 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I06 compound treatment 0.366 0.00765 0.29 0.363 0.00993 0.4 0.4884 0.9876 1000135 NINDS_000804 CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I07 compound treatment 0.395 0.0366 1.39 0.37 0.0169 0.68 1.4671 0.9461 1400 NINDS_000805 CC(C)[C@@H](C)/C=C/[C@@H](C)C1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I08 compound treatment 0.377 0.0186 0.71 0.363 0.00993 0.4 0.784 0.9634 2551 NINDS_000806 COc1cc(NC(C)CCCN)c2ncccc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I09 compound treatment 0.365 0.00665 0.25 0.379 0.0259 1.04 0.9174 0.8534 3046406 NINDS_000807 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I10 compound treatment 0.379 0.0206 0.78 0.387 0.0339 1.37 1.5216 0.9652 1401 NINDS_000808 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I11 compound treatment 0.382 0.0236 0.9 0.374 0.0209 0.84 1.2318 0.9995 1402 NINDS_000809 CC[N+](C)(C)c1cccc(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I12 compound treatment 0.37 0.0116 0.44 0.397 0.0439 1.77 1.5647 0.8575 1403 NINDS_000810 COC(=O)C1=CCCN(C)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I13 compound treatment 0.372 0.0136 0.52 0.382 0.0289 1.17 1.191 0.9334 1404 NINDS_000811 Nc1ccc(N=Nc2ccccc2)c(N)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I14 compound treatment 0.368 0.00965 0.37 0.368 0.0149 0.6 0.6846 0.9718 1000136 NINDS_000812 CC12CCC3C(=CCc4cc(O)ccc34)C2CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I15 compound treatment 0.368 0.00965 0.37 0.36 0.00693 0.28 0.4567 0.991 1406 NINDS_000813 NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I16 compound treatment 0.368 0.00965 0.37 0.365 0.0119 0.48 0.5991 0.991 1407 NINDS_000814 NC(COCc1ccccc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I17 compound treatment 0.375 0.0166 0.63 0.379 0.0259 1.04 1.1861 0.9711 1408 NINDS_000815 NC1(CC2CC3CC(C2)C1)C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I18 compound treatment 0.376 0.0176 0.67 0.377 0.0239 0.96 1.156 0.9842 1409 NINDS_000816 CCCC(C)(COC(=O)N)COC(=O)NC(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I19 compound treatment 0.382 0.0236 0.9 0.371 0.0179 0.72 1.1463 0.9942 1410 NINDS_000817 S=P(N1CC1)(N2CC2)N3CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I20 compound treatment 0.371 0.0126 0.48 0.379 0.0259 1.04 1.0787 0.9379 1411 NINDS_000818 COc1ccc(cc1)/C(=C(\c2ccc(OC)cc2)/c3cccc(OC)c3)/Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I21 compound treatment 0.375 0.0166 0.63 0.378 0.0249 1.0 1.1577 0.9751 1412 NINDS_000819 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I22 compound treatment 0.373 0.0146 0.56 0.37 0.0169 0.68 0.876 0.9949 1413 NINDS_000820 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I23 positive control 0.072 -0.286 -10.88 0.073 -0.28 -11.29 -15.6749 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 I24 positive control 0.075 -0.283 -10.77 0.078 -0.275 -11.08 -15.4518 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J01 mock treatment 0.365 0.00665 0.25 0.368 0.0149 0.6 0.604 0.9257 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J02 mock treatment 0.357 -0.00135 -0.05 0.355 0.00193 0.08 0.0186 0.1995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J03 compound treatment 0.356 -0.00235 -0.09 0.349 -0.00407 -0.16 -0.1792 -0.9594 1414 NINDS_000821 CC(=O)NO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J04 compound treatment 0.361 0.00265 0.1 0.356 0.00293 0.12 0.1546 0.9968 142 NINDS_000822 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J05 compound treatment 0.363 0.00465 0.18 0.358 0.00493 0.2 0.2653 0.9983 1415 NINDS_000823 FC(F)(F)c1cccc(c1)N2CCNCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J06 compound treatment 0.372 0.0136 0.52 0.357 0.00393 0.16 0.4787 0.8828 1416 NINDS_000824 Cn1c(=O)n(C)c2[nH]c(nc2c1=O)C3CCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J07 compound treatment 0.356 -0.00235 -0.09 0.359 0.00593 0.24 0.1057 0.4143 1417 NINDS_000825 CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J08 compound treatment 0.366 0.00765 0.29 0.362 0.00893 0.36 0.4599 0.9944 383 NINDS_000826 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J09 compound treatment 0.369 0.0106 0.4 0.372 0.0189 0.76 0.8255 0.956 1418 NINDS_000827 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J10 compound treatment 0.373 0.0146 0.56 0.368 0.0149 0.6 0.819 0.9992 1419 NINDS_000828 NCCSSCCN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J11 compound treatment 0.378 0.0196 0.75 0.377 0.0239 0.96 1.2098 0.992 1420 NINDS_000829 COc1ccc2[C@@H](OC(=O)c2c1OC)[C@H]3N(C)CCc4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J12 compound treatment 0.375 0.0166 0.63 0.38 0.0269 1.09 1.2146 0.967 1421 NINDS_000830 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J13 compound treatment 0.371 0.0126 0.48 0.366 0.0129 0.52 0.7082 0.9992 1422 NINDS_000831 CC1(C)O[C@@H]2C[C@H]3C4C[C@H](F)C5=CC(=O)C=CC5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J14 compound treatment 0.373 0.0146 0.56 0.364 0.0109 0.44 0.705 0.9933 3172845 NINDS_000832 CCC(C)C(=O)O[C@H]1[C@H](O)C2C(CN3CC(C)CCC3[C@@]2(C)O)C4C[C@]5(O[C@@]6(O)C7C(OC(=O)C)[C@@H](OC(=O)C)C5[C@@]41O)[C@@]7(C)CCC6OC(=O)C(C)(O)CC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J15 compound treatment 0.36 0.00165 0.06 0.361 0.00793 0.32 0.2702 0.8297 1424 NINDS_000833 CCCC(=O)Nc1ncnc2n(cnc12)C3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3OC(=O)CCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J16 compound treatment 0.372 0.0136 0.52 0.366 0.0129 0.52 0.7351 1.0 1425 NINDS_000834 CC(N)COc1c(C)cccc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J17 compound treatment 0.373 0.0146 0.56 0.368 0.0149 0.6 0.819 0.9992 1426 NINDS_000835 ClCCNC(=O)N(CCCl)N=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J18 compound treatment 0.374 0.0156 0.59 0.368 0.0149 0.6 0.8458 1.0 3172846 NINDS_000836 NC(CO)(CO)CO.OC(=O)C1CCn2c(ccc12)C(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J19 compound treatment 0.371 0.0126 0.48 0.375 0.0219 0.88 0.9647 0.959 1428 NINDS_000837 CC(C)NCC(O)COc1cccc2[nH]ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J20 compound treatment 0.374 0.0156 0.59 0.377 0.0239 0.96 1.1023 0.973 1429 NINDS_000838 CCCCOC(=O)c1ccc(N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J21 compound treatment 0.381 0.0226 0.86 0.376 0.0229 0.92 1.2619 0.9994 1430 NINDS_000839 CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J22 compound treatment 0.379 0.0206 0.78 0.375 0.0219 0.88 1.1797 0.9982 1431 NINDS_000840 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J23 positive control 0.073 -0.285 -10.84 0.075 -0.278 -11.21 -15.591 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 J24 positive control 0.075 -0.283 -10.77 0.079 -0.274 -11.04 -15.4233 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K01 mock treatment 0.361 0.00265 0.1 0.358 0.00493 0.2 0.2116 0.9502 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K02 mock treatment 0.342 -0.0164 -0.62 0.344 -0.00907 -0.37 -0.6979 -0.968 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K03 compound treatment 0.348 -0.0104 -0.39 0.34 -0.0131 -0.53 -0.6506 -0.9897 1432 NINDS_000841 CN(C)CCOC(C)(c1ccccc1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K04 compound treatment 0.356 -0.00235 -0.09 0.349 -0.00407 -0.16 -0.1792 -0.9594 1433 NINDS_000842 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K05 compound treatment 0.354 -0.00435 -0.17 0.349 -0.00407 -0.16 -0.233 -1.0 437 NINDS_000843 CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K06 compound treatment 0.361 0.00265 0.1 0.371 0.0179 0.72 0.582 0.7978 1434 NINDS_000844 CN1CCN2C(C1)c3ccccc3Cc4ccccc24 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K07 compound treatment 0.365 0.00665 0.25 0.366 0.0129 0.52 0.547 0.9447 1435 NINDS_000845 CN1[C@@H]2CC(O)C1CC(C2)OC(=O)[C@H](CO)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K08 compound treatment 0.373 0.0146 0.56 0.364 0.0109 0.44 0.705 0.9933 1436 NINDS_000846 CCCNC(C)C(=O)Nc1ccccc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K09 compound treatment 0.375 0.0166 0.63 0.367 0.0139 0.56 0.8442 0.9982 1437 NINDS_000847 CS(=O)(=O)OCCCCOS(=O)(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K10 compound treatment 0.374 0.0156 0.59 0.36 0.00693 0.28 0.6179 0.9407 1438 NINDS_000848 CC(C(=O)O)c1cccc(Oc2ccccc2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K11 compound treatment 0.375 0.0166 0.63 0.363 0.00993 0.4 0.7302 0.9756 1439 NINDS_000849 CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K12 compound treatment 0.369 0.0106 0.4 0.366 0.0129 0.52 0.6545 0.9922 1440 NINDS_000850 COc1ccc2cc(CCC(=O)C)ccc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K13 compound treatment 0.375 0.0166 0.63 0.368 0.0149 0.6 0.8727 0.9997 1441 NINDS_000851 CN1CCC(CC1)OC(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K14 compound treatment 0.376 0.0176 0.67 0.373 0.0199 0.8 1.0421 0.996 1442 NINDS_000852 CC(=O)NC1SCCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K15 compound treatment 0.377 0.0186 0.71 0.375 0.0219 0.88 1.1259 0.994 1443 NINDS_000853 CN(C)CCOC(c1ccccc1)c2ccccc2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K16 compound treatment 0.377 0.0186 0.71 0.371 0.0179 0.72 1.0119 1.0 1444 NINDS_000854 C1CN=C(N1)C2CCCc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K17 compound treatment 0.374 0.0156 0.59 0.375 0.0219 0.88 1.0453 0.9814 336 NINDS_000855 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(=O)C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K18 compound treatment 0.371 0.0126 0.48 0.377 0.0239 0.96 1.0217 0.9483 1445 NINDS_000856 C/C=C(/C)\C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]2(C[C@@]5(O)[C@@H]6CN7C[C@@H](C)CC[C@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]45O)O[C@@]31O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K19 compound treatment 0.374 0.0156 0.59 0.373 0.0199 0.8 0.9883 0.989 1446 NINDS_000857 OC(COc1cccc2oc(cc(=O)c12)C(=O)O)COc3cccc4oc(cc(=O)c34)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K20 compound treatment 0.371 0.0126 0.48 0.366 0.0129 0.52 0.7082 0.9992 1447 NINDS_000858 NC(=O)c1ccccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K21 compound treatment 0.374 0.0156 0.59 0.372 0.0189 0.76 0.9598 0.9924 3172849 NINDS_000859 CN1CCC[C@H]1c2cccnc2.OC(C(O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K22 compound treatment 0.376 0.0176 0.67 0.372 0.0189 0.76 1.0136 0.9979 1448 NINDS_000860 OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K23 positive control 0.074 -0.284 -10.81 0.077 -0.276 -11.12 -15.5072 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 K24 positive control 0.075 -0.283 -10.77 0.081 -0.272 -10.96 -15.3663 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L01 mock treatment 0.353 -0.00535 -0.2 0.347 -0.00607 -0.24 -0.3168 -0.9958 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L02 mock treatment 0.336 -0.0224 -0.85 0.331 -0.0221 -0.89 -1.2295 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L03 compound treatment 0.346 -0.0124 -0.47 0.332 -0.0211 -0.85 -0.9323 -0.961 1449 NINDS_000861 CN1[C@@H](CCC1=O)c2cccnc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L04 compound treatment 0.341 -0.0174 -0.66 0.342 -0.0111 -0.45 -0.7817 -0.9819 1450 NINDS_000862 NCCc1c[nH]c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L05 compound treatment 0.344 -0.0144 -0.55 0.343 -0.0101 -0.41 -0.6726 -0.9894 1451 NINDS_000863 CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L06 compound treatment 0.348 -0.0104 -0.39 0.346 -0.00707 -0.28 -0.4797 -0.9874 1452 NINDS_000864 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L07 compound treatment 0.36 0.00165 0.06 0.353 -6.9E-5 0.0 0.0422 0.675 3172851 NINDS_000865 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L08 compound treatment 0.323 -0.0354 -1.34 0.333 -0.0201 -0.81 -1.5219 -0.9705 1453 NINDS_000866 CN1CCCN=C1/C=C/c2sccc2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L09 compound treatment 0.366 0.00765 0.29 0.364 0.0109 0.44 0.5169 0.9796 1454 NINDS_000867 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](CCC6C5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L10 compound treatment 0.361 0.00265 0.1 0.367 0.0139 0.56 0.468 0.8207 1455 NINDS_000868 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3[C@@H](O)C[C@@]21C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L11 compound treatment 0.364 0.00565 0.21 0.357 0.00393 0.16 0.2637 0.9889 1456 NINDS_000869 CC(C)[C@@H](C)/C=C/[C@@H](C)C1CC[C@H]2\C(=C\C=C\3/C[C@@H](O)CC[C@@H]3C)\CCC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L12 compound treatment 0.367 0.00865 0.33 0.36 0.00693 0.28 0.4298 0.9967 1457 NINDS_000870 CC(=O)OCC(=O)[C@]12OC3(CCCC3)O[C@@H]2CC4C5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]41C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L13 compound treatment 0.381 0.0226 0.86 0.377 0.0239 0.96 1.2904 0.9984 3172968 NINDS_000871 CCC1NC(=O)C(C(O)C(C)C/C=C/C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L14 compound treatment 0.361 0.00265 0.1 0.36 0.00693 0.28 0.2686 0.9048 3045683 NINDS_000872 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.OC(C(O)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L15 compound treatment 0.367 0.00865 0.33 0.363 0.00993 0.4 0.5153 0.9952 1458 NINDS_000873 NC(Cc1ccc(Cl)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L16 compound treatment 0.353 -0.00535 -0.2 0.366 0.0129 0.52 0.2246 0.4014 1459 NINDS_000874 OC1CCN(CCCN2c3ccccc3Sc4ccc(C#N)cc24)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L17 compound treatment 0.372 0.0136 0.52 0.366 0.0129 0.52 0.7351 1.0 3172969 NINDS_000875 CC(CNC(=O)CCC/1(C)C(CC(=O)N)C2N([Co]C[C@H]3OC([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)\C1=C(\C)/C/6=N/C(=C\C\7=N/C(=C(/C)\C8=NC2(C)C(C)(CC(=O)N)C8CCC(=O)N)/C(C)(CC(=O)N)C7CCC(=O)N)/C(C)(C)C6CCC(=O)C)OP(=O)(O)O[C@H]9[C@@H](O)C(O[C@@H]9CO)n%10cnc%11cc(C)c(C)cc%10%11 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L18 compound treatment 0.362 0.00365 0.14 0.372 0.0189 0.76 0.6374 0.8221 1461 NINDS_000876 CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L19 compound treatment 0.368 0.00965 0.37 0.368 0.0149 0.6 0.6846 0.9718 1462 NINDS_000877 CC1C(CCC(C)(C)N1C)OC(=O)C(O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L20 compound treatment 0.365 0.00665 0.25 0.37 0.0169 0.68 0.661 0.9086 1463 NINDS_000878 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L21 compound treatment 0.37 0.0116 0.44 0.361 0.00793 0.32 0.5389 0.9872 1464 NINDS_000879 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2C3CCC4=CC(=O)CCC4(C)[C@@]3(F)[C@@H](O)CC21C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L22 compound treatment 0.364 0.00565 0.21 0.371 0.0179 0.72 0.6626 0.8791 1465 NINDS_000880 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L23 positive control 0.074 -0.284 -10.81 0.077 -0.276 -11.12 -15.5072 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 L24 positive control 0.08 -0.278 -10.58 0.081 -0.272 -10.96 -15.232 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M01 mock treatment 0.345 -0.0134 -0.51 0.333 -0.0201 -0.81 -0.9307 -0.9748 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M02 mock treatment 0.332 -0.0264 -1.0 0.324 -0.0291 -1.17 -1.5365 -0.997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M03 compound treatment 0.331 -0.0274 -1.04 0.325 -0.0281 -1.13 -1.5348 -0.9991 1466 NINDS_000881 NCCCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M04 compound treatment 0.34 -0.0184 -0.7 0.33 -0.0231 -0.93 -1.1505 -0.99 1467 NINDS_000882 CCCCOc1ccc(OCCCN2CCOCC2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M05 compound treatment 0.344 -0.0144 -0.55 0.338 -0.0151 -0.61 -0.8151 -0.9986 1468 NINDS_000883 CCCCC(=O)O[C@H]1CCC2C3CCc4cc(O)ccc4C3CC[C@]12C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M06 compound treatment 0.339 -0.0194 -0.74 0.336 -0.0171 -0.69 -1.0064 -0.9994 1469 NINDS_000884 CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M07 compound treatment 0.351 -0.00735 -0.28 0.343 -0.0101 -0.41 -0.4845 -0.9834 1470 NINDS_000885 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M08 compound treatment 0.36 0.00165 0.06 0.352 -0.00107 -0.04 0.0137 0.1811 1471 NINDS_000886 CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M09 compound treatment 0.358 -3.55E-4 -0.01 0.348 -0.00507 -0.2 -0.154 -0.7521 1000138 NINDS_000887 CC(C)Cc1ccc(cc1)C(C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M10 compound treatment 0.376 0.0176 0.67 0.371 0.0179 0.72 0.9851 0.9993 1473 NINDS_000888 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M11 compound treatment 0.384 0.0256 0.97 0.38 0.0269 1.09 1.4565 0.9986 3172973 NINDS_000889 COC(=O)[C@@]1(O)OC[C@]2(C3[C@H]4OC[C@@]3([C@@H](C[C@@H]2OC(=O)/C(=C/C)/C)OC(=O)C)C(=O)OC)[C@@H]1[C@@](C)([C@@H]4O)C56O[C@@]6(C)[C@H]7C[C@@H]5OC8OC=C[C@]78O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M12 compound treatment 0.363 0.00465 0.18 0.362 0.00893 0.36 0.3793 0.9462 1475 NINDS_000890 Cl[Pt]Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M13 compound treatment 0.355 -0.00335 -0.13 0.353 -6.9E-5 0.0 -0.0921 -0.7223 1476 NINDS_000891 CNCCCC1(CCC2c3ccccc31)c4ccccc24 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M14 compound treatment 0.37 0.0116 0.44 0.358 0.00493 0.2 0.4534 0.9347 1477 NINDS_000892 O=C1O[Pt]OC(=O)C21CCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M15 compound treatment 0.362 0.00365 0.14 0.356 0.00293 0.12 0.1815 0.9969 1478 NINDS_000893 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M16 compound treatment 0.355 -0.00335 -0.13 0.364 0.0109 0.44 0.2213 0.4826 1479 NINDS_000894 CC(C)NCC(O)c1ccc(O)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M17 compound treatment 0.371 0.0126 0.48 0.363 0.00993 0.4 0.6228 0.9959 1480 NINDS_000895 Clc1ccc2oc(=O)[nH]c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M18 compound treatment 0.37 0.0116 0.44 0.37 0.0169 0.68 0.7953 0.978 1481 NINDS_000896 Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc4ccccc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M19 compound treatment 0.368 0.00965 0.37 0.361 0.00793 0.32 0.4852 0.9977 1482 NINDS_000897 CN1CCc2cc3OCOc3cc2C1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M20 compound treatment 0.362 0.00365 0.14 0.369 0.0159 0.64 0.5519 0.8403 3000787 NINDS_000898 [O-][N+](=O)c1ccc(cc1)c2ccc(/C=N/N3CC(=O)NC3=O)o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M21 compound treatment 0.372 0.0136 0.52 0.368 0.0149 0.6 0.7921 0.9973 1484 NINDS_000899 CCC(C)C(N)C(=O)N1CCCC1C(=O)NC(C(C)CC)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M22 compound treatment 0.369 0.0106 0.4 0.362 0.00893 0.36 0.5405 0.9983 1485 NINDS_000900 CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M23 positive control 0.077 -0.281 -10.69 0.079 -0.274 -11.04 -15.3696 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 M24 positive control 0.077 -0.281 -10.69 0.085 -0.268 -10.8 -15.1986 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N01 mock treatment 0.338 -0.0204 -0.77 0.328 -0.0251 -1.01 -1.2613 -0.9913 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N02 mock treatment 0.331 -0.0274 -1.04 0.324 -0.0291 -1.17 -1.5633 -0.9982 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N03 compound treatment 0.331 -0.0274 -1.04 0.326 -0.0271 -1.09 -1.5064 -0.9997 1486 NINDS_000901 CC(C)NCC(O)COc1ccc(NC(=O)C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N04 compound treatment 0.34 -0.0184 -0.7 0.33 -0.0231 -0.93 -1.1505 -0.99 1487 NINDS_000902 CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N05 compound treatment 0.355 -0.00335 -0.13 0.355 0.00193 0.08 -0.0351 -0.2352 104 NINDS_000903 C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N06 compound treatment 0.348 -0.0104 -0.39 0.344 -0.00907 -0.37 -0.5367 -0.9993 1488 NINDS_000904 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C3CC4CC3C=C4)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N07 compound treatment 0.354 -0.00435 -0.17 0.346 -0.00707 -0.28 -0.3184 -0.9666 3172974 NINDS_000905 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N08 compound treatment 0.354 -0.00435 -0.17 0.352 -0.00107 -0.04 -0.1475 -0.8624 1489 NINDS_000906 CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N09 compound treatment 0.357 -0.00135 -0.05 0.345 -0.00807 -0.33 -0.2663 -0.809 1490 NINDS_000907 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N10 compound treatment 0.359 6.45E-4 0.02 0.351 -0.00207 -0.08 -0.0416 -0.4789 3045773 NINDS_000908 CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N11 compound treatment 0.349 -0.00935 -0.36 0.356 0.00293 0.12 -0.1679 -0.4481 1000139 NINDS_000909 CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N12 compound treatment 0.368 0.00965 0.37 0.362 0.00893 0.36 0.5137 1.0 1493 NINDS_000910 CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)CCl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N13 compound treatment 0.372 0.0136 0.52 0.364 0.0109 0.44 0.6781 0.9967 1494 NINDS_000911 C1CN(CCN1)c2ccc3ccccc3n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N14 compound treatment 0.373 0.0146 0.56 0.363 0.00993 0.4 0.6765 0.9869 1495 NINDS_000912 OC(=O)CCCCC1CCSS1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N15 compound treatment 0.369 0.0106 0.4 0.364 0.0109 0.44 0.5975 0.9991 1496 NINDS_000913 CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N16 compound treatment 0.37 0.0116 0.44 0.366 0.0129 0.52 0.6814 0.9967 1497 NINDS_000914 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)C2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N17 compound treatment 0.367 0.00865 0.33 0.365 0.0119 0.48 0.5723 0.9828 1498 NINDS_000915 OC(=O)P(=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N18 compound treatment 0.371 0.0126 0.48 0.368 0.0149 0.6 0.7652 0.9938 1499 NINDS_000916 Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N19 compound treatment 0.372 0.0136 0.52 0.364 0.0109 0.44 0.6781 0.9967 1500 NINDS_000917 C[C@@H]1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N20 compound treatment 0.376 0.0176 0.67 0.376 0.0229 0.92 1.1275 0.9876 1501 NINDS_000918 NCCc1ccc(O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N21 compound treatment 0.377 0.0186 0.71 0.375 0.0219 0.88 1.1259 0.994 1502 NINDS_000919 OC(=O)c1c2ccccc2cc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N22 compound treatment 0.373 0.0146 0.56 0.37 0.0169 0.68 0.876 0.9949 1503 NINDS_000920 Cc1c(CS(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N23 positive control 0.077 -0.281 -10.69 0.082 -0.271 -10.92 -15.2841 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 N24 positive control 0.078 -0.28 -10.65 0.083 -0.27 -10.88 -15.2287 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O01 mock treatment 0.335 -0.0234 -0.89 0.314 -0.0391 -1.57 -1.7408 -0.9632 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O02 mock treatment 0.315 -0.0434 -1.65 0.313 -0.0401 -1.61 -2.3067 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O03 compound treatment 0.32 -0.0384 -1.46 0.311 -0.0421 -1.7 -2.2293 -0.9972 1504 NINDS_000921 O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O04 compound treatment 0.323 -0.0354 -1.34 0.323 -0.0301 -1.21 -1.8068 -0.9987 1505 NINDS_000922 CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O05 compound treatment 0.327 -0.0314 -1.19 0.319 -0.0341 -1.37 -1.8133 -0.9975 1506 NINDS_000923 OCc1cc(=O)c(O)co1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O06 compound treatment 0.333 -0.0254 -0.96 0.33 -0.0231 -0.93 -1.3386 -0.9998 1507 NINDS_000924 CC(N)CCCC(C)(C)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O07 compound treatment 0.34 -0.0184 -0.7 0.331 -0.0221 -0.89 -1.122 -0.9928 1508 NINDS_000925 CSCCC(NC=O)C(=O)NC(C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O08 compound treatment 0.128 -0.23 -8.75 0.299 -0.0541 -2.18 -7.7305 -0.857 142 NINDS_000926 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O09 compound treatment 0.346 -0.0124 -0.47 0.334 -0.0191 -0.77 -0.8753 -0.9721 1509 NINDS_000927 Cn1c(COC(=O)N)ncc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O10 compound treatment 0.344 -0.0144 -0.55 0.348 -0.00507 -0.2 -0.5302 -0.9102 1510 NINDS_000928 CN(C)CCN(Cc1cccs1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O11 compound treatment 0.354 -0.00435 -0.17 0.346 -0.00707 -0.28 -0.3184 -0.9666 1511 NINDS_000929 Oc1ccc(cc1)C2(OC(=O)c3ccccc32)c4ccc(O)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O12 compound treatment 0.362 0.00365 0.14 0.354 9.31E-4 0.04 0.1245 0.8674 1512 NINDS_000930 CC(C)NCC(O)c1ccc2ccccc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O13 compound treatment 0.363 0.00465 0.18 0.351 -0.00207 -0.08 0.0659 0.3374 2431 NINDS_000931 CCN(CC)CCNC(=O)c1ccc(N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O14 compound treatment 0.369 0.0106 0.4 0.359 0.00593 0.24 0.455 0.9685 1513 NINDS_000932 CCOC(=O)c1ccc(N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O15 compound treatment 0.362 0.00365 0.14 0.364 0.0109 0.44 0.4094 0.8867 1514 NINDS_000933 CC1OC1P(=O)(O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O16 compound treatment 0.369 0.0106 0.4 0.361 0.00793 0.32 0.512 0.9932 3173095 NINDS_000934 CC(Oc1ccccc1)C(=O)NC2[C@H]3SC(C)(C)C(N3C2=O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O17 compound treatment 0.37 0.0116 0.44 0.365 0.0119 0.48 0.6529 0.9991 1515 NINDS_000935 CC[C@@H]1[C@@H](Cc2cccn2C)COC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O18 compound treatment 0.366 0.00765 0.29 0.368 0.0149 0.6 0.6309 0.9442 1516 NINDS_000936 Nc1c2CCCCc2nc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O19 compound treatment 0.37 0.0116 0.44 0.357 0.00393 0.16 0.4249 0.904 1517 NINDS_000937 CCC1(NC(=O)N(C)C1=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O20 compound treatment 0.37 0.0116 0.44 0.37 0.0169 0.68 0.7953 0.978 1518 NINDS_000938 OC(=O)c1cc(ccc1O)c2ccc(F)cc2F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O21 compound treatment 0.374 0.0156 0.59 0.371 0.0179 0.72 0.9313 0.9953 1519 NINDS_000939 CC1(C)OC(=O)NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O22 compound treatment 0.374 0.0156 0.59 0.372 0.0189 0.76 0.9598 0.9924 1520 NINDS_000940 CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O23 positive control 0.082 -0.276 -10.5 0.087 -0.266 -10.72 -15.0073 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 O24 positive control 0.083 -0.275 -10.46 0.092 -0.261 -10.52 -14.8379 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P01 mock treatment 0.336 -0.0224 -0.85 0.324 -0.0291 -1.17 -1.429 -0.9876 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P02 mock treatment 0.325 -0.0334 -1.27 0.315 -0.0381 -1.53 -1.981 -0.9955 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P03 compound treatment 0.328 -0.0304 -1.15 0.322 -0.0311 -1.25 -1.7009 -0.9992 1000140 NINDS_000941 CC[C@@H]1OC(OC(C(NC(=O)c2nc(nc(N)c2C)C(CC(=O)N)NCC(N)C(=O)N)C(=O)NC(C)C(O)C(C)C(=O)NC(C(C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCCNC(=N)N)c5c[nH]cn5)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]6O)[C@@H](C)[C@@H]1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P04 compound treatment 0.342 -0.0164 -0.62 0.33 -0.0231 -0.93 -1.0968 -0.9808 1522 NINDS_000942 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P05 compound treatment 0.343 -0.0154 -0.58 0.334 -0.0191 -0.77 -0.9559 -0.9908 1523 NINDS_000943 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P06 compound treatment 0.349 -0.00935 -0.36 0.345 -0.00807 -0.33 -0.4813 -0.999 1524 NINDS_000944 CC(C)Nc1c(C)n(C)n(c2ccccc2)c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P07 compound treatment 0.36 0.00165 0.06 0.342 -0.0111 -0.45 -0.2712 -0.6021 1525 NINDS_000945 CC(CNC(=O)c1ccccc1)C(=O)OCC(=O)[C@]23OC(C)(C)O[C@@H]3CC4C5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]42C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P08 compound treatment 0.36 0.00165 0.06 0.351 -0.00207 -0.08 -0.0147 -0.1415 1526 NINDS_000946 CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P09 compound treatment 0.382 0.0236 0.9 0.384 0.0309 1.25 1.5167 0.9871 1527 NINDS_000947 COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P10 compound treatment 0.36 0.00165 0.06 0.355 0.00193 0.08 0.0992 0.9941 1528 NINDS_000948 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P11 compound treatment 0.363 0.00465 0.18 0.36 0.00693 0.28 0.3223 0.9755 1529 NINDS_000949 COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P12 compound treatment 0.416 0.0576 2.19 0.405 0.0519 2.09 3.0287 0.9997 1530 NINDS_000950 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P13 compound treatment 0.371 0.0126 0.48 0.365 0.0119 0.48 0.6797 1.0 1531 NINDS_000951 O=c1n([se]c2ccccc12)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P14 compound treatment 0.403 0.0446 1.7 0.397 0.0439 1.77 2.4514 0.9998 1532 NINDS_000952 OC[C@H]1O[C@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P15 compound treatment 0.377 0.0186 0.71 0.367 0.0139 0.56 0.898 0.9934 1533 NINDS_000953 Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P16 compound treatment 0.371 0.0126 0.48 0.371 0.0179 0.72 0.8507 0.9804 1534 NINDS_000954 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P17 compound treatment 0.37 0.0116 0.44 0.367 0.0139 0.56 0.7099 0.9931 1535 NINDS_000955 COc1ccc(OC)c(c1)C(O)CNC(=O)CN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P18 compound treatment 0.373 0.0146 0.56 0.36 0.00693 0.28 0.591 0.9492 1000141 NINDS_000956 OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P19 compound treatment 0.375 0.0166 0.63 0.365 0.0119 0.48 0.7872 0.9908 1537 NINDS_000957 NC(Cc1ccc(F)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P20 compound treatment 0.377 0.0186 0.71 0.373 0.0199 0.8 1.0689 0.998 1538 NINDS_000958 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P21 compound treatment 0.379 0.0206 0.78 0.373 0.0199 0.8 1.1227 0.9999 1539 NINDS_000959 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P22 compound treatment 0.368 0.00965 0.37 0.369 0.0159 0.64 0.7131 0.9647 1000142 NINDS_000960 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P23 positive control 0.085 -0.273 -10.39 0.093 -0.26 -10.48 -14.7557 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.502 P24 positive control 0.082 -0.276 -10.5 0.091 -0.262 -10.56 -14.8933 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A01 mock treatment 0.381 0.0162 0.62 0.377 0.015 0.6 0.8626 1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A02 mock treatment 0.355 -0.00979 -0.37 0.358 -0.00401 -0.16 -0.3774 -0.9301 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A03 compound treatment 0.354 -0.0108 -0.41 0.356 -0.00601 -0.24 -0.4612 -0.9683 1541 NINDS_000961 CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)OC(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A04 mock treatment 0.357 -0.00779 -0.3 0.358 -0.00401 -0.16 -0.3236 -0.9593 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A05 compound treatment 0.352 -0.0128 -0.49 0.358 -0.00401 -0.16 -0.458 -0.8939 1542 NINDS_000962 CNC(C)Cc1ccc2OCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A06 mock treatment 0.362 -0.00279 -0.11 0.355 -0.00701 -0.28 -0.2748 -0.9108 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A07 compound treatment 0.361 -0.00379 -0.14 0.35 -0.012 -0.48 -0.4441 -0.8796 1543 NINDS_000963 CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A08 mock treatment 0.364 -7.95E-4 -0.03 0.354 -0.00801 -0.32 -0.2495 -0.7699 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A09 compound treatment 0.358 -0.00679 -0.26 0.358 -0.00401 -0.16 -0.2968 -0.9745 1544 NINDS_000964 CC(N)Cc1ccc2OCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A10 mock treatment 0.362 -0.00279 -0.11 0.362 -7.43E-6 0.0 -0.0753 -0.7091 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A11 compound treatment 0.366 0.00121 0.05 0.362 -7.43E-6 0.0 0.0322 0.7025 1545 NINDS_000965 OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A12 mock treatment 0.373 0.00821 0.31 0.364 0.00199 0.08 0.2773 0.8611 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A13 compound treatment 0.369 0.00421 0.16 0.365 0.00299 0.12 0.1983 0.9904 1546 NINDS_000966 CNC(C)C(=O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A14 mock treatment 0.364 -7.95E-4 -0.03 0.363 9.93E-4 0.04 0.0069 0.1382 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A15 compound treatment 0.364 -7.95E-4 -0.03 0.361 -0.00101 -0.04 -0.0501 -0.9894 1547 NINDS_000967 CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A16 mock treatment 0.365 2.05E-4 0.01 0.359 -0.00301 -0.12 -0.0802 -0.6602 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A17 compound treatment 0.363 -0.00179 -0.07 0.364 0.00199 0.08 0.0085 0.0811 1548 NINDS_000968 CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A18 mock treatment 0.364 -7.95E-4 -0.03 0.36 -0.00201 -0.08 -0.0786 -0.9098 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A19 compound treatment 0.365 2.05E-4 0.01 0.365 0.00299 0.12 0.0908 0.7513 3173101 NINDS_000969 CO[C@@]1(CC[C@]23C[C@@H]1C(C)(O)C(C)(C)C)[C@@H]4Oc5c6c(C[C@H]3N(CC7CC7)CC[C@@]462)ccc5O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A20 mock treatment 0.364 -7.95E-4 -0.03 0.358 -0.00401 -0.16 -0.1355 -0.825 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A21 compound treatment 0.353 -0.0118 -0.45 0.355 -0.00701 -0.28 -0.5166 -0.9752 1550 NINDS_000970 CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A22 mock treatment 0.357 -0.00779 -0.3 0.358 -0.00401 -0.16 -0.3236 -0.9593 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A23 positive control 0.08 -0.285 -10.82 0.071 -0.291 -11.73 -15.9447 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 A24 positive control 0.072 -0.293 -11.13 0.073 -0.289 -11.65 -16.1026 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B01 mock treatment 0.37 0.00521 0.2 0.374 0.012 0.48 0.4816 0.9223 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B02 mock treatment 0.352 -0.0128 -0.49 0.36 -0.00201 -0.08 -0.401 -0.8136 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B03 mock treatment 0.359 -0.00579 -0.22 0.355 -0.00701 -0.28 -0.3554 -0.9924 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B04 mock treatment 0.365 2.05E-4 0.01 0.358 -0.00401 -0.16 -0.1087 -0.6722 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B05 mock treatment 0.357 -0.00779 -0.3 0.347 -0.015 -0.6 -0.6371 -0.9461 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B06 mock treatment 0.36 -0.00479 -0.18 0.358 -0.00401 -0.16 -0.243 -0.9982 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B07 mock treatment 0.363 -0.00179 -0.07 0.365 0.00299 0.12 0.037 0.2674 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B08 mock treatment 0.37 0.00521 0.2 0.358 -0.00401 -0.16 0.0257 0.1006 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B09 mock treatment 0.363 -0.00179 -0.07 0.362 -7.43E-6 0.0 -0.0484 -0.7102 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B10 mock treatment 0.367 0.00221 0.08 0.364 0.00199 0.08 0.116 0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B11 mock treatment 0.366 0.00121 0.05 0.367 0.00499 0.2 0.1746 0.8464 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B12 mock treatment 0.374 0.00921 0.35 0.362 -7.43E-6 0.0 0.2471 0.7065 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B13 mock treatment 0.37 0.00521 0.2 0.367 0.00499 0.2 0.2821 1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B14 mock treatment 0.372 0.00721 0.27 0.36 -0.00201 -0.08 0.1364 0.4778 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B15 mock treatment 0.365 2.05E-4 0.01 0.366 0.00399 0.16 0.1193 0.7405 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B16 mock treatment 0.38 0.0152 0.58 0.361 -0.00101 -0.04 0.3799 0.6558 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B17 mock treatment 0.371 0.00621 0.24 0.358 -0.00401 -0.16 0.0526 0.1839 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B18 mock treatment 0.366 0.00121 0.05 0.362 -7.43E-6 0.0 0.0322 0.7025 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B19 mock treatment 0.362 -0.00279 -0.11 0.358 -0.00401 -0.16 -0.1893 -0.9793 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B20 mock treatment 0.363 -0.00179 -0.07 0.364 0.00199 0.08 0.0085 0.0811 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B21 mock treatment 0.368 0.00321 0.12 0.362 -7.43E-6 0.0 0.0859 0.7054 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B22 mock treatment 0.358 -0.00679 -0.26 0.354 -0.00801 -0.32 -0.4107 -0.9939 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B23 positive control 0.071 -0.294 -11.16 0.071 -0.291 -11.73 -16.1865 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 B24 positive control 0.072 -0.293 -11.13 0.071 -0.291 -11.73 -16.1596 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C01 mock treatment 0.374 0.00921 0.35 0.372 0.00999 0.4 0.5321 0.9975 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C02 mock treatment 0.351 -0.0138 -0.52 0.355 -0.00701 -0.28 -0.5703 -0.9579 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C03 compound treatment 0.349 -0.0158 -0.6 0.349 -0.013 -0.52 -0.7951 -0.9977 1551 NINDS_000971 CCCCCc1cc(O)c(C2CC(=CCC2C(=C)C)C)c(O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C04 mock treatment 0.366 0.00121 0.05 0.355 -0.00701 -0.28 -0.1673 -0.5848 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C05 compound treatment 0.344 -0.0208 -0.79 0.352 -0.01 -0.4 -0.8439 -0.9513 1552 NINDS_000972 CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc32)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C06 mock treatment 0.363 -0.00179 -0.07 0.355 -0.00701 -0.28 -0.2479 -0.8534 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C07 compound treatment 0.36 -0.00479 -0.18 0.36 -0.00201 -0.08 -0.186 -0.9332 1553 NINDS_000973 [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C08 mock treatment 0.366 0.00121 0.05 0.363 9.93E-4 0.04 0.0607 0.9977 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C09 compound treatment 0.359 -0.00579 -0.22 0.369 0.00699 0.28 0.0435 0.1217 1554 NINDS_000974 CCOC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C10 mock treatment 0.363 -0.00179 -0.07 0.363 9.93E-4 0.04 -0.0199 -0.2523 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C11 compound treatment 0.369 0.00421 0.16 0.358 -0.00401 -0.16 -0.0012 -0.0052 1555 NINDS_000975 COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C12 mock treatment 0.368 0.00321 0.12 0.361 -0.00101 -0.04 0.0574 0.4472 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C13 compound treatment 0.361 -0.00379 -0.14 0.363 9.93E-4 0.04 -0.0737 -0.4924 1556 NINDS_000976 COc1ccc2C[C@@H]3C4C=C[C@H](O)[C@@H]5Oc1c2[C@@]54CCN3C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C14 mock treatment 0.364 -7.95E-4 -0.03 0.36 -0.00201 -0.08 -0.0786 -0.9098 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C15 compound treatment 0.356 -0.00879 -0.33 0.355 -0.00701 -0.28 -0.436 -0.9965 1557 NINDS_000977 CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C16 mock treatment 0.37 0.00521 0.2 0.359 -0.00301 -0.12 0.0542 0.2335 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C17 compound treatment 0.362 -0.00279 -0.11 0.358 -0.00401 -0.16 -0.1893 -0.9793 1558 NINDS_000978 CCCCCc1cc(O)c2C3CC(=CCC3C(C)(C)Oc2c1)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C18 mock treatment 0.367 0.00221 0.08 0.361 -0.00101 -0.04 0.0306 0.3281 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C19 compound treatment 0.361 -0.00379 -0.14 0.357 -0.00501 -0.2 -0.2447 -0.9864 1559 NINDS_000979 Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C20 mock treatment 0.363 -0.00179 -0.07 0.363 9.93E-4 0.04 -0.0199 -0.2523 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C21 compound treatment 0.359 -0.00579 -0.22 0.358 -0.00401 -0.16 -0.2699 -0.9884 1560 NINDS_000980 CCNC(C)Cc1cccc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C22 mock treatment 0.359 -0.00579 -0.22 0.357 -0.00501 -0.2 -0.2984 -0.999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C23 positive control 0.07 -0.295 -11.2 0.071 -0.291 -11.73 -16.2134 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 C24 positive control 0.073 -0.292 -11.09 0.073 -0.289 -11.65 -16.0758 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D01 mock treatment 0.37 0.00521 0.2 0.37 0.00799 0.32 0.3676 0.9726 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D02 mock treatment 0.348 -0.0168 -0.64 0.357 -0.00501 -0.2 -0.594 -0.8874 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D03 mock treatment 0.347 -0.0178 -0.68 0.348 -0.014 -0.56 -0.8773 -0.996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D04 mock treatment 0.356 -0.00879 -0.33 0.348 -0.014 -0.56 -0.6355 -0.9687 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D05 mock treatment 0.348 -0.0168 -0.64 0.366 0.00399 0.16 -0.3375 -0.5128 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D06 mock treatment 0.36 -0.00479 -0.18 0.354 -0.00801 -0.32 -0.357 -0.9634 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D07 mock treatment 0.365 2.05E-4 0.01 0.365 0.00299 0.12 0.0908 0.7513 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D08 mock treatment 0.362 -0.00279 -0.11 0.375 0.013 0.52 0.2951 0.5524 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D09 mock treatment 0.36 -0.00479 -0.18 0.361 -0.00101 -0.04 -0.1575 -0.844 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D10 mock treatment 0.361 -0.00379 -0.14 0.376 0.014 0.56 0.2967 0.5099 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D11 mock treatment 0.371 0.00621 0.24 0.375 0.013 0.52 0.537 0.9351 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D12 mock treatment 0.368 0.00321 0.12 0.368 0.00599 0.24 0.2569 0.9498 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D13 mock treatment 0.368 0.00321 0.12 0.373 0.011 0.44 0.3993 0.8693 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D14 mock treatment 0.361 -0.00379 -0.14 0.358 -0.00401 -0.16 -0.2162 -0.9984 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D15 mock treatment 0.39 0.0252 0.96 0.391 0.029 1.17 1.5034 0.9951 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D16 mock treatment 0.364 -7.95E-4 -0.03 0.354 -0.00801 -0.32 -0.2495 -0.7699 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D17 mock treatment 0.361 -0.00379 -0.14 0.363 9.93E-4 0.04 -0.0737 -0.4924 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D18 mock treatment 0.397 0.0322 1.22 0.371 0.00899 0.36 1.1216 0.8788 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D19 mock treatment 0.363 -0.00179 -0.07 0.359 -0.00301 -0.12 -0.1339 -0.963 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D20 mock treatment 0.366 0.00121 0.05 0.384 0.022 0.89 0.659 0.7427 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D21 mock treatment 0.357 -0.00779 -0.3 0.362 -7.43E-6 0.0 -0.2097 -0.7078 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D22 mock treatment 0.383 0.0182 0.69 0.37 0.00799 0.32 0.7169 0.9395 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D23 positive control 0.071 -0.294 -11.16 0.071 -0.291 -11.73 -16.1865 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 D24 positive control 0.074 -0.291 -11.05 0.074 -0.288 -11.61 -16.0204 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E01 mock treatment 0.373 0.00821 0.31 0.372 0.00999 0.4 0.5052 0.992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E02 mock treatment 0.357 -0.00779 -0.3 0.357 -0.00501 -0.2 -0.3521 -0.9825 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E03 compound treatment 0.362 -0.00279 -0.11 0.359 -0.00301 -0.12 -0.1608 -0.9978 1561 NINDS_000981 CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E04 mock treatment 0.363 -0.00179 -0.07 0.355 -0.00701 -0.28 -0.2479 -0.8534 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E05 compound treatment 0.354 -0.0108 -0.41 0.353 -0.00901 -0.36 -0.5467 -0.9981 1562 NINDS_000982 CN1CC[C@]23[C@H]4Oc5c3c(C[C@@H]1C2CCC4=O)ccc5O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E06 mock treatment 0.373 0.00821 0.31 0.357 -0.00501 -0.2 0.0778 0.2095 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E07 compound treatment 0.37 0.00521 0.2 0.364 0.00199 0.08 0.1966 0.9211 1563 NINDS_000983 CCOC(=O)C1(CCN(C)CC1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E08 mock treatment 0.376 0.0112 0.43 0.37 0.00799 0.32 0.5288 0.9905 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E09 compound treatment 0.372 0.00721 0.27 0.37 0.00799 0.32 0.4214 0.9967 1564 NINDS_000984 COc1cc(CCN)cc(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E10 mock treatment 0.373 0.00821 0.31 0.37 0.00799 0.32 0.4482 0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E11 compound treatment 0.375 0.0102 0.39 0.369 0.00699 0.28 0.4735 0.9877 1565 NINDS_000985 CN1CC[C@]23[C@H]4Oc5c3c(C[C@@H]1C2C=C[C@H]4O)ccc5O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E12 mock treatment 0.371 0.00621 0.24 0.362 -7.43E-6 0.0 0.1665 0.7062 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E13 compound treatment 0.37 0.00521 0.2 0.364 0.00199 0.08 0.1966 0.9211 1566 NINDS_000986 OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E14 mock treatment 0.363 -0.00179 -0.07 0.362 -7.43E-6 0.0 -0.0484 -0.7102 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E15 compound treatment 0.367 0.00221 0.08 0.363 9.93E-4 0.04 0.0875 0.9427 1567 NINDS_000987 CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E16 mock treatment 0.374 0.00921 0.35 0.369 0.00699 0.28 0.4466 0.9942 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E17 compound treatment 0.368 0.00321 0.12 0.371 0.00899 0.36 0.3424 0.8955 1568 NINDS_000988 CNC(C)Cc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E18 mock treatment 0.374 0.00921 0.35 0.371 0.00899 0.36 0.5036 0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E19 compound treatment 0.357 -0.00779 -0.3 0.361 -0.00101 -0.04 -0.2382 -0.7966 1569 NINDS_000989 CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E20 mock treatment 0.369 0.00421 0.16 0.382 0.02 0.81 0.6827 0.8312 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E21 compound treatment 0.372 0.00721 0.27 0.371 0.00899 0.36 0.4498 0.9904 1570 NINDS_000990 CCCC(C)C1(CC=C)C(=O)NC(=NC1=O)S 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E22 mock treatment 0.374 0.00921 0.35 0.363 9.93E-4 0.04 0.2756 0.7829 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E23 positive control 0.071 -0.294 -11.16 0.071 -0.291 -11.73 -16.1865 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 E24 positive control 0.076 -0.289 -10.97 0.075 -0.287 -11.57 -15.9382 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F01 mock treatment 0.379 0.0142 0.54 0.369 0.00699 0.28 0.581 0.9541 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F02 mock treatment 0.353 -0.0118 -0.45 0.347 -0.015 -0.6 -0.7446 -0.9891 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F03 mock treatment 0.352 -0.0128 -0.49 0.349 -0.013 -0.52 -0.7144 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F04 mock treatment 0.358 -0.00679 -0.26 0.355 -0.00701 -0.28 -0.3823 -0.999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F05 mock treatment 0.361 -0.00379 -0.14 0.345 -0.017 -0.69 -0.5866 -0.8376 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F06 mock treatment 0.369 0.00421 0.16 0.359 -0.00301 -0.12 0.0273 0.1361 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F07 mock treatment 0.369 0.00421 0.16 0.358 -0.00401 -0.16 -0.0012 -0.0052 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F08 mock treatment 0.361 -0.00379 -0.14 0.36 -0.00201 -0.08 -0.1592 -0.9626 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F09 mock treatment 0.352 -0.0128 -0.49 0.362 -7.43E-6 0.0 -0.344 -0.7075 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F10 mock treatment 0.369 0.00421 0.16 0.357 -0.00501 -0.2 -0.0297 -0.1153 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F11 mock treatment 0.363 -0.00179 -0.07 0.359 -0.00301 -0.12 -0.1339 -0.963 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F12 mock treatment 0.371 0.00621 0.24 0.355 -0.00701 -0.28 -0.0329 -0.0895 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F13 mock treatment 0.371 0.00621 0.24 0.363 9.93E-4 0.04 0.195 0.8154 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F14 mock treatment 0.371 0.00621 0.24 0.365 0.00299 0.12 0.252 0.9515 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F15 mock treatment 0.366 0.00121 0.05 0.362 -7.43E-6 0.0 0.0322 0.7025 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F16 mock treatment 0.373 0.00821 0.31 0.364 0.00199 0.08 0.2773 0.8611 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F17 mock treatment 0.367 0.00221 0.08 0.363 9.93E-4 0.04 0.0875 0.9427 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F18 mock treatment 0.364 -7.95E-4 -0.03 0.368 0.00599 0.24 0.1494 0.6139 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F19 mock treatment 0.361 -0.00379 -0.14 0.355 -0.00701 -0.28 -0.3016 -0.9513 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F20 mock treatment 0.368 0.00321 0.12 0.363 9.93E-4 0.04 0.1144 0.8924 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F21 mock treatment 0.363 -0.00179 -0.07 0.363 9.93E-4 0.04 -0.0199 -0.2523 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F22 mock treatment 0.357 -0.00779 -0.3 0.363 9.93E-4 0.04 -0.1812 -0.6061 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F23 positive control 0.072 -0.293 -11.13 0.071 -0.291 -11.73 -16.1596 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 F24 positive control 0.074 -0.291 -11.05 0.07 -0.292 -11.77 -16.1344 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G01 mock treatment 0.369 0.00421 0.16 0.367 0.00499 0.2 0.2553 0.9935 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G02 mock treatment 0.348 -0.0168 -0.64 0.347 -0.015 -0.6 -0.8789 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G03 compound treatment 0.344 -0.0208 -0.79 0.345 -0.017 -0.69 -1.0434 -0.9975 1571 NINDS_000991 CC(N)Cc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G04 mock treatment 0.363 -0.00179 -0.07 0.35 -0.012 -0.48 -0.3904 -0.7989 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G05 compound treatment 0.346 -0.0188 -0.71 0.349 -0.013 -0.52 -0.8757 -0.9884 1572 NINDS_000992 CCCC(C)C1(CC)C(=O)NC(=NC1=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G06 mock treatment 0.361 -0.00379 -0.14 0.356 -0.00601 -0.24 -0.2731 -0.9694 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G07 compound treatment 0.369 0.00421 0.16 0.367 0.00499 0.2 0.2553 0.9935 1573 NINDS_000993 CCCC(C)C1(CC)C(=O)NC(=NC1=O)S 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G08 mock treatment 0.365 2.05E-4 0.01 0.358 -0.00401 -0.16 -0.1087 -0.6722 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G09 compound treatment 0.358 -0.00679 -0.26 0.364 0.00199 0.08 -0.1258 -0.4652 1574 NINDS_000994 CCC1(CCC(C)C)C(=O)NC(=O)NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G10 mock treatment 0.362 -0.00279 -0.11 0.366 0.00399 0.16 0.0387 0.2006 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G11 compound treatment 0.364 -7.95E-4 -0.03 0.359 -0.00301 -0.12 -0.1071 -0.8571 1575 NINDS_000995 CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G12 mock treatment 0.374 0.00921 0.35 0.359 -0.00301 -0.12 0.1617 0.4367 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G13 compound treatment 0.372 0.00721 0.27 0.363 9.93E-4 0.04 0.2219 0.8019 1576 NINDS_000996 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)c(O)c4)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G14 mock treatment 0.366 0.00121 0.05 0.362 -7.43E-6 0.0 0.0322 0.7025 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G15 compound treatment 0.361 -0.00379 -0.14 0.367 0.00499 0.2 0.0403 0.1628 1577 NINDS_000997 OCC(S)CS 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G16 mock treatment 0.368 0.00321 0.12 0.362 -7.43E-6 0.0 0.0859 0.7054 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G17 compound treatment 0.369 0.00421 0.16 0.366 0.00399 0.16 0.2268 1.0 1578 NINDS_000998 CC1=NCCc2c1[nH]c3cc(O)ccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G18 mock treatment 0.368 0.00321 0.12 0.357 -0.00501 -0.2 -0.0566 -0.24 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G19 compound treatment 0.334 -0.0308 -1.17 0.33 -0.032 -1.29 -1.7395 -0.9988 1579 NINDS_000999 CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G20 mock treatment 0.366 0.00121 0.05 0.362 -7.43E-6 0.0 0.0322 0.7025 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G21 compound treatment 0.366 0.00121 0.05 0.36 -0.00201 -0.08 -0.0248 -0.2669 1000143 NINDS_001000 NC(Cn1ccc(=O)c(O)c1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G22 mock treatment 0.36 -0.00479 -0.18 0.361 -0.00101 -0.04 -0.1575 -0.844 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G23 positive control 0.074 -0.291 -11.05 0.072 -0.29 -11.69 -16.0774 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 G24 positive control 0.075 -0.29 -11.01 0.071 -0.291 -11.73 -16.079 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H01 mock treatment 0.376 0.0112 0.43 0.373 0.011 0.44 0.6143 0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H02 mock treatment 0.362 -0.00279 -0.11 0.363 9.93E-4 0.04 -0.0468 -0.4125 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H03 mock treatment 0.361 -0.00379 -0.14 0.361 -0.00101 -0.04 -0.1307 -0.8723 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H04 mock treatment 0.366 0.00121 0.05 0.361 -0.00101 -0.04 0.0037 0.0601 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H05 mock treatment 0.363 -0.00179 -0.07 0.358 -0.00401 -0.16 -0.1624 -0.9265 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H06 mock treatment 0.379 0.0142 0.54 0.364 0.00199 0.08 0.4385 0.8034 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H07 mock treatment 0.376 0.0112 0.43 0.379 0.017 0.68 0.7853 0.9739 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H08 mock treatment 0.37 0.00521 0.2 0.365 0.00299 0.12 0.2251 0.9718 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H09 mock treatment 0.375 0.0102 0.39 0.37 0.00799 0.32 0.502 0.9957 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H10 mock treatment 0.371 0.00621 0.24 0.378 0.016 0.64 0.6224 0.907 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H11 mock treatment 0.369 0.00421 0.16 0.368 0.00599 0.24 0.2838 0.9799 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H12 mock treatment 0.377 0.0122 0.46 0.366 0.00399 0.16 0.4417 0.8998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H13 mock treatment 0.368 0.00321 0.12 0.369 0.00699 0.28 0.2854 0.9296 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H14 mock treatment 0.374 0.00921 0.35 0.363 9.93E-4 0.04 0.2756 0.7829 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H15 mock treatment 0.377 0.0122 0.46 0.371 0.00899 0.36 0.5842 0.9925 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H16 mock treatment 0.379 0.0142 0.54 0.371 0.00899 0.36 0.6379 0.9812 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H17 mock treatment 0.38 0.0152 0.58 0.359 -0.00301 -0.12 0.3229 0.5469 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H18 mock treatment 0.374 0.00921 0.35 0.37 0.00799 0.32 0.4751 0.9991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H19 mock treatment 0.369 0.00421 0.16 0.374 0.012 0.48 0.4547 0.8934 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H20 mock treatment 0.377 0.0122 0.46 0.368 0.00599 0.24 0.4987 0.9537 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H21 mock treatment 0.373 0.00821 0.31 0.372 0.00999 0.4 0.5052 0.992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H22 mock treatment 0.371 0.00621 0.24 0.373 0.011 0.44 0.48 0.9564 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H23 positive control 0.072 -0.293 -11.13 0.073 -0.289 -11.65 -16.1026 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 H24 positive control 0.076 -0.289 -10.97 0.073 -0.289 -11.65 -15.9951 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I01 mock treatment 0.374 0.00921 0.35 0.371 0.00899 0.36 0.5036 0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I02 mock treatment 0.355 -0.00979 -0.37 0.355 -0.00701 -0.28 -0.4629 -0.9907 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I03 compound treatment 0.355 -0.00979 -0.37 0.356 -0.00601 -0.24 -0.4344 -0.9783 3103678 NINDS_001001 N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)/NCc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I04 mock treatment 0.359 -0.00579 -0.22 0.359 -0.00301 -0.12 -0.2414 -0.9604 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I05 compound treatment 0.357 -0.00779 -0.3 0.361 -0.00101 -0.04 -0.2382 -0.7966 1581 NINDS_001002 CNC(=N)NCCCC(N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I06 mock treatment 0.374 0.00921 0.35 0.362 -7.43E-6 0.0 0.2471 0.7065 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I07 compound treatment 0.371 0.00621 0.24 0.372 0.00999 0.4 0.4515 0.9675 1582 NINDS_001003 O=C1CCO1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I08 mock treatment 0.365 2.05E-4 0.01 0.374 0.012 0.48 0.3472 0.7184 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I09 compound treatment 0.374 0.00921 0.35 0.363 9.93E-4 0.04 0.2756 0.7829 1583 NINDS_001004 COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I10 mock treatment 0.359 -0.00579 -0.22 0.382 0.02 0.81 0.414 0.4956 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I11 compound treatment 0.371 0.00621 0.24 0.38 0.018 0.73 0.6794 0.8911 1584 NINDS_001005 NCCCCC(N)C(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCCCN)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I12 mock treatment 0.392 0.0272 1.03 0.366 0.00399 0.16 0.8448 0.8074 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I13 compound treatment 0.377 0.0122 0.46 0.37 0.00799 0.32 0.5557 0.9841 1585 NINDS_001006 CC(C)c1ccc(C)c2ccc(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I14 mock treatment 0.373 0.00821 0.31 0.373 0.011 0.44 0.5337 0.9852 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I15 compound treatment 0.368 0.00321 0.12 0.369 0.00699 0.28 0.2854 0.9296 1586 NINDS_001007 NCCCCNCCCN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I16 mock treatment 0.36 -0.00479 -0.18 0.368 0.00599 0.24 0.0419 0.1386 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I17 compound treatment 0.387 0.0222 0.84 0.369 0.00699 0.28 0.7959 0.8947 1587 NINDS_001008 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)C[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I18 mock treatment 0.379 0.0142 0.54 0.371 0.00899 0.36 0.6379 0.9812 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I19 compound treatment 0.366 0.00121 0.05 0.377 0.015 0.6 0.4596 0.7585 1588 NINDS_001009 CC(=O)C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(=O)C)C2(C)C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I20 mock treatment 0.38 0.0152 0.58 0.375 0.013 0.52 0.7788 0.9988 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I21 compound treatment 0.376 0.0112 0.43 0.369 0.00699 0.28 0.5003 0.9799 1589 NINDS_001010 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc2ccc(O)cc2)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I22 mock treatment 0.376 0.0112 0.43 0.372 0.00999 0.4 0.5858 0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I23 positive control 0.072 -0.293 -11.13 0.073 -0.289 -11.65 -16.1026 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 I24 positive control 0.077 -0.288 -10.94 0.076 -0.286 -11.53 -15.8828 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J01 mock treatment 0.372 0.00721 0.27 0.359 -0.00301 -0.12 0.1079 0.3604 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J02 mock treatment 0.362 -0.00279 -0.11 0.351 -0.011 -0.44 -0.3887 -0.8523 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J03 mock treatment 0.335 -0.0298 -1.13 0.359 -0.00301 -0.12 -0.8863 -0.7783 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J04 mock treatment 0.361 -0.00379 -0.14 0.36 -0.00201 -0.08 -0.1592 -0.9626 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J05 mock treatment 0.359 -0.00579 -0.22 0.358 -0.00401 -0.16 -0.2699 -0.9884 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J06 mock treatment 0.37 0.00521 0.2 0.365 0.00299 0.12 0.2251 0.9718 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J07 mock treatment 0.369 0.00421 0.16 0.366 0.00399 0.16 0.2268 1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J08 mock treatment 0.368 0.00321 0.12 0.37 0.00799 0.32 0.3139 0.9115 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J09 mock treatment 0.367 0.00221 0.08 0.371 0.00899 0.36 0.3155 0.8482 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J10 mock treatment 0.37 0.00521 0.2 0.373 0.011 0.44 0.4531 0.934 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J11 mock treatment 0.376 0.0112 0.43 0.376 0.014 0.56 0.6998 0.9904 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J12 mock treatment 0.364 -7.95E-4 -0.03 0.373 0.011 0.44 0.2919 0.6574 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J13 mock treatment 0.363 -0.00179 -0.07 0.371 0.00899 0.36 0.208 0.5641 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J14 mock treatment 0.37 0.00521 0.2 0.369 0.00699 0.28 0.3391 0.985 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J15 mock treatment 0.373 0.00821 0.31 0.364 0.00199 0.08 0.2773 0.8611 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J16 mock treatment 0.37 0.00521 0.2 0.37 0.00799 0.32 0.3676 0.9726 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J17 mock treatment 0.378 0.0132 0.5 0.368 0.00599 0.24 0.5256 0.9438 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J18 mock treatment 0.379 0.0142 0.54 0.371 0.00899 0.36 0.6379 0.9812 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J19 mock treatment 0.376 0.0112 0.43 0.369 0.00699 0.28 0.5003 0.9799 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J20 mock treatment 0.374 0.00921 0.35 0.372 0.00999 0.4 0.5321 0.9975 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J21 mock treatment 0.376 0.0112 0.43 0.38 0.018 0.73 0.8138 0.9678 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J22 mock treatment 0.366 0.00121 0.05 0.375 0.013 0.52 0.4026 0.766 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J23 positive control 0.073 -0.292 -11.09 0.073 -0.289 -11.65 -16.0758 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 J24 positive control 0.077 -0.288 -10.94 0.077 -0.285 -11.48 -15.8543 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K01 mock treatment 0.366 0.00121 0.05 0.36 -0.00201 -0.08 -0.0248 -0.2669 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K02 mock treatment 0.345 -0.0198 -0.75 0.342 -0.02 -0.81 -1.102 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K03 compound treatment 0.359 -0.00579 -0.22 0.363 9.93E-4 0.04 -0.1274 -0.5694 1590 NINDS_001011 CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K04 mock treatment 0.355 -0.00979 -0.37 0.353 -0.00901 -0.36 -0.5199 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K05 compound treatment 0.352 -0.0128 -0.49 0.348 -0.014 -0.56 -0.7429 -0.9972 1591 NINDS_001012 CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c3ccccc13)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K06 mock treatment 0.37 0.00521 0.2 0.358 -0.00401 -0.16 0.0257 0.1006 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K07 compound treatment 0.361 -0.00379 -0.14 0.364 0.00199 0.08 -0.0452 -0.2738 1000144 NINDS_001013 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)OC2[C@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K08 mock treatment 0.366 0.00121 0.05 0.378 0.016 0.64 0.4881 0.7555 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K09 compound treatment 0.363 -0.00179 -0.07 0.374 0.012 0.48 0.2935 0.6014 3173223 NINDS_001014 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)C(O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K10 mock treatment 0.375 0.0102 0.39 0.375 0.013 0.52 0.6444 0.9891 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K11 compound treatment 0.372 0.00721 0.27 0.372 0.00999 0.4 0.4783 0.9823 382 NINDS_001015 NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K12 mock treatment 0.378 0.0132 0.5 0.37 0.00799 0.32 0.5826 0.977 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K13 compound treatment 0.373 0.00821 0.31 0.368 0.00599 0.24 0.3912 0.992 1594 NINDS_001016 N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K14 mock treatment 0.38 0.0152 0.58 0.369 0.00699 0.28 0.6078 0.9455 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K15 compound treatment 0.375 0.0102 0.39 0.371 0.00899 0.36 0.5305 0.9994 1595 NINDS_001017 CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K16 mock treatment 0.384 0.0192 0.73 0.367 0.00499 0.2 0.6583 0.8696 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K17 compound treatment 0.379 0.0142 0.54 0.372 0.00999 0.4 0.6664 0.9896 419 NINDS_001018 CC1=NN(C(=O)C1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K18 mock treatment 0.377 0.0122 0.46 0.367 0.00499 0.2 0.4702 0.9301 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K19 compound treatment 0.374 0.00921 0.35 0.37 0.00799 0.32 0.4751 0.9991 1596 NINDS_001019 CCOc1ccccc1OCC2CNCCO2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K20 mock treatment 0.37 0.00521 0.2 0.372 0.00999 0.4 0.4246 0.9464 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K21 compound treatment 0.378 0.0132 0.5 0.369 0.00699 0.28 0.5541 0.9628 1597 NINDS_001020 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6C=C4C(=O)c3c(O)c2C=C1)C(C/C=C(/C)\C(=O)O)(OC5(C)C)C6=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K22 mock treatment 0.376 0.0112 0.43 0.371 0.00899 0.36 0.5573 0.9968 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K23 positive control 0.075 -0.29 -11.01 0.074 -0.288 -11.61 -15.9935 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 K24 positive control 0.081 -0.284 -10.78 0.075 -0.287 -11.57 -15.8038 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L01 mock treatment 0.359 -0.00579 -0.22 0.35 -0.012 -0.48 -0.4979 -0.9365 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L02 mock treatment 0.335 -0.0298 -1.13 0.336 -0.026 -1.05 -1.5417 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L03 mock treatment 0.339 -0.0258 -0.98 0.343 -0.019 -0.77 -1.2347 -0.9926 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L04 mock treatment 0.348 -0.0168 -0.64 0.341 -0.021 -0.85 -1.0499 -0.9903 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L05 mock treatment 0.347 -0.0178 -0.68 0.342 -0.02 -0.81 -1.0483 -0.9962 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L06 mock treatment 0.35 -0.0148 -0.56 0.346 -0.016 -0.65 -0.8537 -0.9977 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L07 mock treatment 0.352 -0.0128 -0.49 0.354 -0.00801 -0.32 -0.572 -0.9802 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L08 mock treatment 0.344 -0.0208 -0.79 0.349 -0.013 -0.52 -0.9294 -0.9801 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L09 mock treatment 0.357 -0.00779 -0.3 0.358 -0.00401 -0.16 -0.3236 -0.9593 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L10 mock treatment 0.363 -0.00179 -0.07 0.358 -0.00401 -0.16 -0.1624 -0.9265 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L11 mock treatment 0.367 0.00221 0.08 0.366 0.00399 0.16 0.173 0.9538 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L12 mock treatment 0.37 0.00521 0.2 0.362 -7.43E-6 0.0 0.1397 0.706 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L13 mock treatment 0.366 0.00121 0.05 0.37 0.00799 0.32 0.2601 0.7996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L14 mock treatment 0.365 2.05E-4 0.01 0.36 -0.00201 -0.08 -0.0517 -0.636 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L15 mock treatment 0.369 0.00421 0.16 0.362 -7.43E-6 0.0 0.1128 0.7058 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L16 mock treatment 0.374 0.00921 0.35 0.364 0.00199 0.08 0.3041 0.8474 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L17 mock treatment 0.373 0.00821 0.31 0.37 0.00799 0.32 0.4482 0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L18 mock treatment 0.368 0.00321 0.12 0.36 -0.00201 -0.08 0.0289 0.1978 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L19 mock treatment 0.369 0.00421 0.16 0.365 0.00299 0.12 0.1983 0.9904 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L20 mock treatment 0.366 0.00121 0.05 0.365 0.00299 0.12 0.1177 0.9121 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L21 mock treatment 0.363 -0.00179 -0.07 0.366 0.00399 0.16 0.0655 0.375 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L22 mock treatment 0.369 0.00421 0.16 0.363 9.93E-4 0.04 0.1413 0.8576 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L23 positive control 0.075 -0.29 -11.01 0.075 -0.287 -11.57 -15.965 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 L24 positive control 0.08 -0.285 -10.82 0.076 -0.286 -11.53 -15.8022 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M01 mock treatment 0.344 -0.0208 -0.79 0.342 -0.02 -0.81 -1.1289 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M02 mock treatment 0.33 -0.0348 -1.32 0.332 -0.03 -1.21 -1.79 -0.999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M03 compound treatment 0.334 -0.0308 -1.17 0.33 -0.032 -1.29 -1.7395 -0.9988 1598 NINDS_001021 NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M04 mock treatment 0.335 -0.0298 -1.13 0.34 -0.022 -0.89 -1.4277 -0.9927 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M05 compound treatment 0.335 -0.0298 -1.13 0.337 -0.025 -1.01 -1.5132 -0.9983 1599 NINDS_001022 C=CCc1ccc2OCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M06 mock treatment 0.346 -0.0188 -0.71 0.34 -0.022 -0.89 -1.1321 -0.9942 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M07 compound treatment 0.348 -0.0168 -0.64 0.349 -0.013 -0.52 -0.8219 -0.9952 592 NINDS_001023 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M08 mock treatment 0.36 -0.00479 -0.18 0.358 -0.00401 -0.16 -0.243 -0.9982 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M09 compound treatment 0.353 -0.0118 -0.45 0.356 -0.00601 -0.24 -0.4881 -0.9582 1600 NINDS_001024 CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M10 mock treatment 0.359 -0.00579 -0.22 0.354 -0.00801 -0.32 -0.3839 -0.9827 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M11 compound treatment 0.368 0.00321 0.12 0.361 -0.00101 -0.04 0.0574 0.4472 1601 NINDS_001025 COc1c(OC)c2ccc(=O)oc2c3ccoc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M12 mock treatment 0.372 0.00721 0.27 0.36 -0.00201 -0.08 0.1364 0.4778 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M13 compound treatment 0.363 -0.00179 -0.07 0.378 0.016 0.64 0.4075 0.6288 422 NINDS_001026 Oc1cccc2C(=O)C=CC(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M14 mock treatment 0.366 0.00121 0.05 0.367 0.00499 0.2 0.1746 0.8464 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M15 compound treatment 0.365 2.05E-4 0.01 0.355 -0.00701 -0.28 -0.1942 -0.6873 1602 NINDS_001027 COc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M16 mock treatment 0.368 0.00321 0.12 0.358 -0.00401 -0.16 -0.0281 -0.1387 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M17 compound treatment 0.369 0.00421 0.16 0.368 0.00599 0.24 0.2838 0.9799 1603 NINDS_001028 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M18 mock treatment 0.369 0.00421 0.16 0.369 0.00699 0.28 0.3122 0.9639 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M19 compound treatment 0.37 0.00521 0.2 0.363 9.93E-4 0.04 0.1682 0.8332 1604 NINDS_001029 OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M20 mock treatment 0.37 0.00521 0.2 0.363 9.93E-4 0.04 0.1682 0.8332 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M21 compound treatment 0.367 0.00221 0.08 0.37 0.00799 0.32 0.287 0.8624 1605 NINDS_001030 OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M22 mock treatment 0.363 -0.00179 -0.07 0.366 0.00399 0.16 0.0655 0.375 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M23 positive control 0.078 -0.287 -10.9 0.077 -0.285 -11.48 -15.8274 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 M24 positive control 0.081 -0.284 -10.78 0.077 -0.285 -11.48 -15.7468 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N01 mock treatment 0.342 -0.0228 -0.87 0.339 -0.023 -0.93 -1.2681 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N02 mock treatment 0.334 -0.0308 -1.17 0.333 -0.029 -1.17 -1.654 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N03 mock treatment 0.333 -0.0318 -1.21 0.33 -0.032 -1.29 -1.7664 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N04 mock treatment 0.337 -0.0278 -1.06 0.349 -0.013 -0.52 -1.1175 -0.9477 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N05 mock treatment 0.342 -0.0228 -0.87 0.339 -0.023 -0.93 -1.2681 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N06 mock treatment 0.355 -0.00979 -0.37 0.351 -0.011 -0.44 -0.5768 -0.9962 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N07 mock treatment 0.354 -0.0108 -0.41 0.355 -0.00701 -0.28 -0.4897 -0.9834 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N08 mock treatment 0.358 -0.00679 -0.26 0.358 -0.00401 -0.16 -0.2968 -0.9745 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N09 mock treatment 0.353 -0.0118 -0.45 0.361 -0.00101 -0.04 -0.3456 -0.768 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N10 mock treatment 0.357 -0.00779 -0.3 0.368 0.00599 0.24 -0.0387 -0.1013 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N11 mock treatment 0.365 2.05E-4 0.01 0.365 0.00299 0.12 0.0908 0.7513 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N12 mock treatment 0.372 0.00721 0.27 0.363 9.93E-4 0.04 0.2219 0.8019 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N13 mock treatment 0.366 0.00121 0.05 0.367 0.00499 0.2 0.1746 0.8464 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N14 mock treatment 0.374 0.00921 0.35 0.37 0.00799 0.32 0.4751 0.9991 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N15 mock treatment 0.371 0.00621 0.24 0.363 9.93E-4 0.04 0.195 0.8154 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N16 mock treatment 0.371 0.00621 0.24 0.368 0.00599 0.24 0.3375 0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N17 mock treatment 0.372 0.00721 0.27 0.367 0.00499 0.2 0.3359 0.9885 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N18 mock treatment 0.373 0.00821 0.31 0.369 0.00699 0.28 0.4197 0.9987 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N19 mock treatment 0.368 0.00321 0.12 0.37 0.00799 0.32 0.3139 0.9115 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N20 mock treatment 0.373 0.00821 0.31 0.375 0.013 0.52 0.5907 0.9693 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N21 mock treatment 0.377 0.0122 0.46 0.369 0.00699 0.28 0.5272 0.9715 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N22 mock treatment 0.371 0.00621 0.24 0.384 0.022 0.89 0.7934 0.8652 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N23 positive control 0.077 -0.288 -10.94 0.077 -0.285 -11.48 -15.8543 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 N24 positive control 0.08 -0.285 -10.82 0.078 -0.284 -11.44 -15.7452 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O01 mock treatment 0.331 -0.0338 -1.28 0.335 -0.027 -1.09 -1.6776 -0.9966 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O02 mock treatment 0.319 -0.0458 -1.74 0.318 -0.044 -1.77 -2.4845 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O03 compound treatment 0.317 -0.0478 -1.82 0.323 -0.039 -1.57 -2.3958 -0.9974 1606 NINDS_001031 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O04 mock treatment 0.33 -0.0348 -1.32 0.326 -0.036 -1.45 -1.961 -0.9989 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O05 compound treatment 0.325 -0.0398 -1.51 0.329 -0.033 -1.33 -2.0098 -0.998 1607 NINDS_001032 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 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O06 mock treatment 0.339 -0.0258 -0.98 0.334 -0.028 -1.13 -1.4912 -0.9975 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O07 compound treatment 0.339 -0.0258 -0.98 0.342 -0.02 -0.81 -1.2632 -0.9953 1594 NINDS_001033 N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O08 mock treatment 0.327 -0.0378 -1.44 0.341 -0.021 -0.85 -1.6142 -0.9682 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O09 compound treatment 0.343 -0.0218 -0.83 0.349 -0.013 -0.52 -0.9563 -0.9756 3046992 NINDS_001034 CO[C@]12[C@@H]3NC3CN2C4=C([C@@H]1COC(=O)N)C(=O)C(=C(C)C4=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O10 mock treatment 0.355 -0.00979 -0.37 0.344 -0.018 -0.73 -0.7763 -0.9519 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O11 compound treatment 0.363 -0.00179 -0.07 0.359 -0.00301 -0.12 -0.1339 -0.963 3250 NINDS_001035 CCCCCCCCCCCCCCCCCCOCC(O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O12 mock treatment 0.363 -0.00179 -0.07 0.358 -0.00401 -0.16 -0.1624 -0.9265 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O13 compound treatment 0.36 -0.00479 -0.18 0.357 -0.00501 -0.2 -0.2715 -0.9987 1317 NINDS_001036 Fc1ccc(cc1)C(c2ccccc2)(c3ccccc3F)n4ccnc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O14 mock treatment 0.369 0.00421 0.16 0.366 0.00399 0.16 0.2268 1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O15 compound treatment 0.367 0.00221 0.08 0.362 -7.43E-6 0.0 0.059 0.7046 1608 NINDS_001037 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O16 mock treatment 0.369 0.00421 0.16 0.369 0.00699 0.28 0.3122 0.9639 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O17 compound treatment 0.376 0.0112 0.43 0.372 0.00999 0.4 0.5858 0.9996 1609 NINDS_001038 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]54[C@]13C)c6ccoc6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O18 mock treatment 0.374 0.00921 0.35 0.363 9.93E-4 0.04 0.2756 0.7829 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O19 compound treatment 0.36 -0.00479 -0.18 0.365 0.00299 0.12 -0.0436 -0.1994 1610 NINDS_001039 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O20 mock treatment 0.374 0.00921 0.35 0.366 0.00399 0.16 0.3611 0.9379 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O21 compound treatment 0.386 0.0212 0.81 0.374 0.012 0.48 0.9115 0.9701 3173349 NINDS_001040 CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(\C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@@H]([C@H](C[C@H]4C)OC)[C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O22 mock treatment 0.364 -7.95E-4 -0.03 0.372 0.00999 0.4 0.2634 0.6522 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O23 positive control 0.082 -0.283 -10.75 0.082 -0.28 -11.28 -15.5775 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 O24 positive control 0.085 -0.28 -10.63 0.083 -0.279 -11.24 -15.4684 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P01 mock treatment 0.335 -0.0298 -1.13 0.331 -0.031 -1.25 -1.6841 -0.9988 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P02 mock treatment 0.328 -0.0368 -1.4 0.32 -0.042 -1.69 -2.1857 -0.9955 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P03 mock treatment 0.33 -0.0348 -1.32 0.341 -0.021 -0.85 -1.5336 -0.9768 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P04 mock treatment 0.341 -0.0238 -0.9 0.348 -0.014 -0.56 -1.0385 -0.9743 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P05 mock treatment 0.348 -0.0168 -0.64 0.343 -0.019 -0.77 -0.9929 -0.9959 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P06 mock treatment 0.374 0.00921 0.35 0.347 -0.015 -0.6 -0.1803 -0.258 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P07 mock treatment 0.408 0.0432 1.64 0.363 9.93E-4 0.04 1.1892 0.7241 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P08 mock treatment 0.359 -0.00579 -0.22 0.366 0.00399 0.16 -0.0419 -0.1538 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P09 mock treatment 0.363 -0.00179 -0.07 0.362 -7.43E-6 0.0 -0.0484 -0.7102 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P10 mock treatment 0.371 0.00621 0.24 0.36 -0.00201 -0.08 0.1095 0.4394 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P11 mock treatment 0.371 0.00621 0.24 0.361 -0.00101 -0.04 0.138 0.5769 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P12 mock treatment 0.372 0.00721 0.27 0.362 -7.43E-6 0.0 0.1934 0.7063 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P13 mock treatment 0.37 0.00521 0.2 0.372 0.00999 0.4 0.4246 0.9464 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P14 mock treatment 0.372 0.00721 0.27 0.373 0.011 0.44 0.5068 0.9733 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P15 mock treatment 0.369 0.00421 0.16 0.369 0.00699 0.28 0.3122 0.9639 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P16 mock treatment 0.373 0.00821 0.31 0.363 9.93E-4 0.04 0.2488 0.7913 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P17 mock treatment 0.375 0.0102 0.39 0.369 0.00699 0.28 0.4735 0.9877 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P18 mock treatment 0.368 0.00321 0.12 0.37 0.00799 0.32 0.3139 0.9115 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P19 mock treatment 0.371 0.00621 0.24 0.37 0.00799 0.32 0.3945 0.9883 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P20 mock treatment 0.373 0.00821 0.31 0.373 0.011 0.44 0.5337 0.9852 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P21 mock treatment 0.372 0.00721 0.27 0.375 0.013 0.52 0.5638 0.9543 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P22 mock treatment 0.367 0.00221 0.08 0.365 0.00299 0.12 0.1445 0.9842 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P23 positive control 0.084 -0.281 -10.67 0.082 -0.28 -11.28 -15.5237 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.503 P24 positive control 0.085 -0.28 -10.63 0.081 -0.281 -11.32 -15.5254 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A01 compound treatment 0.378 0.00931 0.35 0.371 0.0055 0.22 0.407 0.9746 2072841 Maybridge1_006513 CN1CC2CCC1C/C(=N/O)/C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A02 compound treatment 0.351 -0.0177 -0.67 0.36 -0.0055 -0.22 -0.632 -0.893 2072842 Maybridge1_006514 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cccc(c3)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A03 compound treatment 0.352 -0.0167 -0.63 0.345 -0.0205 -0.83 -1.0325 -0.9915 1577271 Maybridge1_006515 Fc1cccc(OCC(=O)Nc2ccccc2C(=O)c3ccccc3Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A04 compound treatment 0.356 -0.0127 -0.48 0.353 -0.0125 -0.5 -0.6971 -0.9998 2072843 Maybridge1_006516 Cc1cccc(c1)n2c(S)nnc2CSCc3cccc4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A05 compound treatment 0.35 -0.0187 -0.71 0.348 -0.0175 -0.71 -1.0008 -1.0 1557801 Maybridge1_006517 COc1ccc(CC2CCC(=NO)CC2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A06 compound treatment 0.363 -0.00569 -0.22 0.358 -0.0075 -0.3 -0.3665 -0.9865 2072844 Maybridge1_006518 CN(C(=O)CSc1nnc(COc2ccc(C)c3CCCc32)n1c4ccccc4)c5ccccc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A07 compound treatment 0.364 -0.00469 -0.18 0.354 -0.0115 -0.46 -0.4536 -0.9137 1285371 Maybridge1_006519 COc1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A08 compound treatment 0.356 -0.0127 -0.48 0.36 -0.0055 -0.22 -0.4976 -0.9378 1737597 Maybridge1_006520 OC(=O)CCC1CCCC(CCC(=O)O)C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A09 compound treatment 0.352 -0.0167 -0.63 0.354 -0.0115 -0.46 -0.7761 -0.9881 1393835 Maybridge1_006521 CC(=O)N(O)CC(=O)Nc1ccccc1C(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A10 compound treatment 0.355 -0.0137 -0.52 0.352 -0.0135 -0.54 -0.7525 -0.9997 1166338 Maybridge1_006522 Cc1onc(c1C(=O)NCC(=O)O)c2ccccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A11 compound treatment 0.366 -0.00269 -0.1 0.361 -0.0045 -0.18 -0.2004 -0.9631 1059002 Maybridge1_006523 OC(=O)CSCc1cccc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A12 compound treatment 0.385 0.0163 0.62 0.382 0.0165 0.66 0.9085 0.9994 2072845 Maybridge1_006524 Cc1ccc(OCc2nnc(SCC(=O)c3ccc(F)c(F)c3)n2c4ccccc4)c5CCCc51 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A13 compound treatment 0.371 0.00231 0.09 0.369 0.0035 0.14 0.1619 0.9741 1464667 Maybridge1_006525 COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)c3ccccc3OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A14 compound treatment 0.358 -0.0107 -0.41 0.364 -0.0015 -0.06 -0.3299 -0.8035 1370472 Maybridge1_006526 COc1ccc(cc1)C(=O)c2cc3cc(Br)cc(Br)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A15 compound treatment 0.353 -0.0157 -0.6 0.355 -0.0105 -0.42 -0.7207 -0.9859 1250811 Maybridge1_006527 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3cc(Cl)cc(Cl)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A16 compound treatment 0.361 -0.00769 -0.29 0.358 -0.0075 -0.3 -0.4203 -0.9999 1338954 Maybridge1_006528 COc1ccc(cc1)C(=O)c2cc3cc(Cl)cc(Cl)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A17 compound treatment 0.364 -0.00469 -0.18 0.369 0.0035 0.14 -0.0262 -0.1154 2072846 Maybridge1_006529 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3ccc(OC(F)(F)F)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A18 compound treatment 0.341 -0.0277 -1.05 0.337 -0.0285 -1.15 -1.5561 -0.999 2072847 Maybridge1_006530 Cc1cc(Br)c(OCc2nnc(S)n2CC=C)c3CCCc31 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A19 compound treatment 0.358 -0.0107 -0.41 0.358 -0.0075 -0.3 -0.5009 -0.9894 2072848 Maybridge1_006531 OC(=O)CCCNCc1cccc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A20 compound treatment 0.38 0.0113 0.43 0.374 0.0085 0.34 0.5462 0.9937 2072849 Maybridge1_006532 Cc1onc(c1C(=O)Nc2cc(ccc2Oc3ccc(C)c4CCCc43)C(F)(F)F)c5c(F)cccc5Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A21 compound treatment 0.361 -0.00769 -0.29 0.362 -0.0035 -0.14 -0.3063 -0.9442 2072850 Maybridge1_006533 Clc1ccccc1NC(=S)NNC(=O)CSCc2cccc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A22 compound treatment 0.355 -0.0137 -0.52 0.356 -0.0095 -0.38 -0.6385 -0.9886 2072851 Maybridge1_006534 Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c3cc(ccc3C)[N+](=O)[O-])C(F)(F)F)c4CCCc41 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A23 mock treatment 0.367 -0.00169 -0.06 0.361 -0.0045 -0.18 -0.1736 -0.9024 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 A24 positive control 0.073 -0.296 -11.24 0.073 -0.292 -11.79 -16.2799 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B01 compound treatment 0.361 -0.00769 -0.29 0.369 0.0035 0.14 -0.1068 -0.3294 1671490 Maybridge1_006535 Cc1cccc(C)c1NC(=O)c2cccc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B02 compound treatment 0.351 -0.0177 -0.67 0.357 -0.0085 -0.34 -0.7175 -0.9511 2072852 Maybridge1_006536 CCOC(=O)/C(=C/Nc1ccccc1Cl)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B03 compound treatment 0.363 -0.00569 -0.22 0.356 -0.0095 -0.38 -0.4235 -0.9634 2072853 Maybridge1_006537 CC(=O)c1ccc(Nc2cc(C)nc3ccccc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B04 compound treatment 0.375 0.00631 0.24 0.371 0.0055 0.22 0.3263 0.9992 2072854 Maybridge1_006538 Cc1c(sc2ccccc12)C(=O)COc3nc(cc(c3C#N)C(F)(F)F)c4cccs4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B05 compound treatment 0.371 0.00231 0.09 0.362 -0.0035 -0.14 -0.0376 -0.2262 2072855 Maybridge1_006539 [O-][N+](=O)c1cc(ccc1NCCNC(=O)c2cccs2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B06 compound treatment 0.351 -0.0177 -0.67 0.353 -0.0125 -0.5 -0.8315 -0.9899 1292709 Maybridge1_006540 Cc1ccc2cc(NC(=O)c3ccccc3C)ccc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B07 compound treatment 0.405 0.0363 1.38 0.41 0.0445 1.79 2.2437 0.9916 2072856 Maybridge1_006541 CC(=O)C(=NNc1cccc(c1)C(F)(F)F)C(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B08 compound treatment 0.385 0.0163 0.62 0.38 0.0145 0.58 0.8515 0.9996 2072857 Maybridge1_006542 NC/1=NNC(=O)\C1=C/c2cc(ccc2N3CCOCC3)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B09 compound treatment 0.354 -0.0147 -0.56 0.365 -5.0E-4 -0.02 -0.4089 -0.7322 1521748 Maybridge1_006543 CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c3ccccc3Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B10 compound treatment 0.362 -0.00669 -0.25 0.36 -0.0055 -0.22 -0.3364 -0.9977 1438392 Maybridge1_006544 CC1(C)CC(=O)c2ccc(OCC(=O)O)cc2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B11 compound treatment 0.364 -0.00469 -0.18 0.358 -0.0075 -0.3 -0.3397 -0.9682 2072858 Maybridge1_006545 COc1ccc(Oc2ncccc2NC(=O)Nc3cccc(c3)C(F)(F)F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B12 compound treatment 0.361 -0.00769 -0.29 0.363 -0.0025 -0.1 -0.2778 -0.899 1565207 Maybridge1_006546 Nc1nc2ccc(F)cc2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B13 compound treatment 0.363 -0.00569 -0.22 0.358 -0.0075 -0.3 -0.3665 -0.9865 2072859 Maybridge1_006547 COc1ccc(Oc2ncccc2NC(=O)c3cccc4ccccc34)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B14 compound treatment 0.362 -0.00669 -0.25 0.357 -0.0085 -0.34 -0.4219 -0.9892 2072860 Maybridge1_006548 O=C(CCCCC(=O)NCC(=O)ON1C(=O)CCC1=O)NCC(=O)ON2C(=O)CCC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B15 compound treatment 0.345 -0.0237 -0.9 0.346 -0.0195 -0.79 -1.1921 -0.9977 2072861 Maybridge1_006549 CC(C)(C)c1ccc(Oc2ncccc2NS(=O)(=O)c3ccccc3C(F)(F)F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B16 compound treatment 0.36 -0.00869 -0.33 0.359 -0.0065 -0.26 -0.4187 -0.9934 1050253 Maybridge1_006550 CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B17 compound treatment 0.362 -0.00669 -0.25 0.357 -0.0085 -0.34 -0.4219 -0.9892 1543501 Maybridge1_006551 CCOc1ccc(CC(C(=O)O)C(=O)O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B18 compound treatment 0.295 -0.0737 -2.8 0.298 -0.0675 -2.72 -3.9034 -0.9999 2072862 Maybridge1_006552 Clc1c2C(=O)CC(=O)c2c(Cl)c(Cl)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B19 compound treatment 0.36 -0.00869 -0.33 0.358 -0.0075 -0.3 -0.4471 -0.999 2072863 Maybridge1_006553 CC(=O)c1sc(nc1C)c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B20 compound treatment 0.359 -0.00969 -0.37 0.362 -0.0035 -0.14 -0.36 -0.9133 2072864 Maybridge1_006554 COc1ccc(C=C2CCC(=O)CC2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B21 compound treatment 0.371 0.00231 0.09 0.371 0.0055 0.22 0.2189 0.918 1015396 Maybridge1_006555 O=C(CC(=O)c1cccnc1)c2cccnc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B22 compound treatment 0.358 -0.0107 -0.41 0.354 -0.0115 -0.46 -0.6149 -0.9978 2072865 Maybridge1_006556 Cc1cc2/C(=N\O)/CCCc2nn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B23 mock treatment 0.365 -0.00369 -0.14 0.361 -0.0045 -0.18 -0.2273 -0.9919 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 B24 positive control 0.072 -0.297 -11.27 0.072 -0.293 -11.83 -16.3352 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C01 compound treatment 0.366 -0.00269 -0.1 0.367 0.0015 0.06 -0.0295 -0.2484 1704397 Maybridge1_006557 COc1ccc(CCNC(=O)C2CCCO2)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C02 compound treatment 0.346 -0.0227 -0.86 0.351 -0.0145 -0.58 -1.0228 -0.982 1520985 Maybridge1_006558 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3c(Cl)cccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C03 compound treatment 0.347 -0.0217 -0.82 0.35 -0.0155 -0.62 -1.0244 -0.9906 2072866 Maybridge1_006559 Cn1cnnc1SCc2cccc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C04 compound treatment 0.356 -0.0127 -0.48 0.352 -0.0135 -0.54 -0.7256 -0.9982 2072867 Maybridge1_006560 CCOC(=O)/C(=N/Nc1ccc(C)cc1)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C05 compound treatment 0.348 -0.0207 -0.79 0.346 -0.0195 -0.79 -1.1115 -1.0 2072868 Maybridge1_006561 Cn1c2CCC/C(=N\O)/c2c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C06 compound treatment 0.358 -0.0107 -0.41 0.348 -0.0175 -0.71 -0.7858 -0.9656 1083147 Maybridge1_006562 Cc1cccc(c1)C(=O)NCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C07 compound treatment 0.353 -0.0157 -0.6 0.354 -0.0115 -0.46 -0.7492 -0.9922 2072869 Maybridge1_006563 CC1(C)C(N)C2(C)CCC1C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C08 compound treatment 0.404 0.0353 1.34 0.393 0.0275 1.11 1.7325 0.9955 2072870 Maybridge1_006564 COc1ccc(OC)c(Sc2cc(c(Cl)cc2[N+](=O)[O-])n3cccc3)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C09 compound treatment 0.361 -0.00769 -0.29 0.354 -0.0115 -0.46 -0.5343 -0.9753 1028362 Maybridge1_006565 NC(=O)NC(=O)c1cccnc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C10 compound treatment 0.386 0.0173 0.66 0.382 0.0165 0.66 0.9354 1.0 2072871 Maybridge1_006566 FC(F)(F)c1ccc(cc1)C(=O)CSc2nnc(CSCc3cccc4ccccc34)n2c5ccccc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C11 compound treatment 0.365 -0.00369 -0.14 0.36 -0.0055 -0.22 -0.2558 -0.9755 2072872 Maybridge1_006567 [O-][N+](=O)c1cccc(c1)C(=O)Nc2nnc(SCC(=O)Nc3ccc4OCOc4c3)s2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C12 compound treatment 0.36 -0.00869 -0.33 0.361 -0.0045 -0.18 -0.3617 -0.9602 2072873 Maybridge1_006568 [O-][N+](=O)c1ccc2oc(cc2c1)C(=O)c3ccc(F)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C13 compound treatment 0.356 -0.0127 -0.48 0.359 -0.0065 -0.26 -0.5261 -0.9589 2072874 Maybridge1_006569 Cc1nc(cn1Cc2ccc(F)cc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C14 compound treatment 0.353 -0.0157 -0.6 0.353 -0.0125 -0.5 -0.7777 -0.9965 2072875 Maybridge1_006570 Clc1ccc(NC(=O)CN2CCCCC2)c(c1)C(=O)c3ccccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C15 compound treatment 0.36 -0.00869 -0.33 0.355 -0.0105 -0.42 -0.5326 -0.9925 2072876 Maybridge1_006571 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C16 compound treatment 0.357 -0.0117 -0.44 0.366 5.0E-4 0.02 -0.2998 -0.6743 2072877 Maybridge1_006572 FC(F)(F)Oc1ccc(cc1)C(=O)c2cc3cc(Cl)cc(Cl)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C17 compound treatment 0.355 -0.0137 -0.52 0.36 -0.0055 -0.22 -0.5245 -0.9277 1447824 Maybridge1_006573 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3ccc(F)cc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C18 compound treatment 0.357 -0.0117 -0.44 0.346 -0.0195 -0.79 -0.8697 -0.9635 1633199 Maybridge1_006574 Clc1cc(Cl)c2oc(cc2c1)C(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C19 compound treatment 0.362 -0.00669 -0.25 0.358 -0.0075 -0.3 -0.3934 -0.9963 1019887 Maybridge1_006575 OC1(C(=O)Nc2ccccc21)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C20 compound treatment 0.36 -0.00869 -0.33 0.359 -0.0065 -0.26 -0.4187 -0.9934 2072878 Maybridge1_006576 OS(=O)(=O)c1ccc(Nc2ncnc3cc(Cl)ccc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C21 compound treatment 0.358 -0.0107 -0.41 0.36 -0.0055 -0.22 -0.4439 -0.9594 2072879 Maybridge1_006577 Cc1cccc(NC(=S)NNC(=O)CSCc2cccc3ccccc23)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C22 compound treatment 0.341 -0.0277 -1.05 0.341 -0.0245 -0.99 -1.4421 -0.9995 1193041 Maybridge1_006578 Cc1ccc(C)n1c2ccc(cc2)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C23 mock treatment 0.361 -0.00769 -0.29 0.357 -0.0085 -0.34 -0.4488 -0.9969 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 C24 positive control 0.076 -0.293 -11.12 0.074 -0.291 -11.75 -16.1708 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D01 compound treatment 0.363 -0.00569 -0.22 0.366 5.0E-4 0.02 -0.1386 -0.6384 1425989 Maybridge1_006579 C1COC2(O1)C3NCC4(CCCCC4)CN3c5ccccc52 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D02 compound treatment 0.377 0.00831 0.32 0.359 -0.0065 -0.26 0.0382 0.093 2072880 Maybridge1_006580 CN(C(=O)CSc1nccc(n1)c2sc(nc2C)c3ccc(Cl)cc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D03 compound treatment 0.353 -0.0157 -0.6 0.358 -0.0075 -0.3 -0.6352 -0.9504 2072881 Maybridge1_006581 [O-][N+](=O)c1cc(ccc1NCCNC(=O)c2ccccc2F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D04 compound treatment 0.358 -0.0107 -0.41 0.353 -0.0125 -0.5 -0.6434 -0.9943 2072882 Maybridge1_006582 COC(=O)/C(=C/c1cc(Br)c(OC(=O)C)c(OC)c1)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D05 compound treatment 0.354 -0.0147 -0.56 0.357 -0.0085 -0.34 -0.6369 -0.9725 2072883 Maybridge1_006583 [O-][N+](=O)c1cc(ccc1NCCNC(=S)Nc2ccccc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D06 compound treatment 0.378 0.00931 0.35 0.378 0.0125 0.5 0.6064 0.9851 1340853 Maybridge1_006584 Cc1ccc2cc(NC(=O)c3ccc(cc3)C(C)(C)C)ccc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D07 compound treatment 0.381 0.0123 0.47 0.352 -0.0135 -0.54 -0.0538 -0.075 2072884 Maybridge1_006585 Cc1ccc(C)n1c2ccc(cc2)C(=O)NNS(=O)(=O)c3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D08 compound treatment 0.358 -0.0107 -0.41 0.356 -0.0095 -0.38 -0.5579 -0.9996 2072885 Maybridge1_006586 COC(=O)/C(=C/c1ccc(OC)c(OC)c1Cl)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D09 compound treatment 0.364 -0.00469 -0.18 0.376 0.0105 0.42 0.1732 0.3773 1483254 Maybridge1_006587 CCCc1ccc(cc1)C(=O)Nc2cccnc2Oc3ccc(cc3)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D10 compound treatment 0.361 -0.00769 -0.29 0.362 -0.0035 -0.14 -0.3063 -0.9442 1594559 Maybridge1_006588 CCOC(=O)COc1ccc2C(=O)CC(C)(C)Oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D11 compound treatment 0.384 0.0153 0.58 0.366 5.0E-4 0.02 0.4257 0.7312 2072886 Maybridge1_006589 COc1ccc(Oc2ncccc2NC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D12 compound treatment 0.357 -0.0117 -0.44 0.353 -0.0125 -0.5 -0.6702 -0.998 2072887 Maybridge1_006590 C1C2C3C4C5C3C6OC5(C(C14)C26)c7ccccc7 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D13 compound treatment 0.358 -0.0107 -0.41 0.35 -0.0155 -0.62 -0.7288 -0.9783 2072888 Maybridge1_006591 CCCCCCCCCC(=O)n1c2ccc(F)cc2c3nc4ccccc4nc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D14 compound treatment 0.342 -0.0267 -1.01 0.367 0.0015 0.06 -0.6744 -0.6638 2072889 Maybridge1_006592 [O-][N+](=O)c1cccc2C(=O)CC(=O)c21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D15 compound treatment 0.399 0.0303 1.15 0.368 0.0025 0.1 0.8858 0.766 2072890 Maybridge1_006593 [O-][N+](=O)c1cc(Cl)c(cc1Sc2ccc(F)cc2Cl)n3cccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D16 compound treatment 0.359 -0.00969 -0.37 0.35 -0.0155 -0.62 -0.702 -0.9682 2072891 Maybridge1_006594 CC(=O)N[C@@H](Cc1ccc(OC(=O)C)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D17 compound treatment 0.365 -0.00369 -0.14 0.364 -0.0015 -0.06 -0.1418 -0.9293 1129476 Maybridge1_006595 Clc1ccc(Sc2ncccc2NC(=O)C(C3CCCC3)c4ccccc4)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D18 compound treatment 0.354 -0.0147 -0.56 0.349 -0.0165 -0.66 -0.8648 -0.9962 1547187 Maybridge1_006596 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D19 compound treatment 0.362 -0.00669 -0.25 0.362 -0.0035 -0.14 -0.2794 -0.9614 2072892 Maybridge1_006597 FC(F)(F)c1cc([nH]c(=O)c1C#N)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D20 compound treatment 0.395 0.0263 1.0 0.357 -0.0085 -0.34 0.4648 0.4398 1554163 Maybridge1_006598 OC(C(=O)Nc1ccc(Cl)cc1)c2ccccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D21 compound treatment 0.353 -0.0157 -0.6 0.359 -0.0065 -0.26 -0.6067 -0.9318 2072893 Maybridge1_006599 COc1ccc(cc1)C(=O)CN2CCN(CC2)c3cc(C)nc4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D22 compound treatment 0.379 0.0103 0.39 0.369 0.0035 0.14 0.3768 0.9048 2072894 Maybridge1_006600 CC(C)(NO)/C(=N\O)/c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D23 mock treatment 0.359 -0.00969 -0.37 0.361 -0.0045 -0.18 -0.3885 -0.9468 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 D24 positive control 0.075 -0.294 -11.16 0.074 -0.291 -11.75 -16.1976 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E01 compound treatment 0.366 -0.00269 -0.1 0.369 0.0035 0.14 0.0275 0.158 1627375 Maybridge1_006601 CN1C(=O)CN=C(c2ccccc2)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E02 compound treatment 0.345 -0.0237 -0.9 0.345 -0.0205 -0.83 -1.2206 -0.9991 2072895 Maybridge1_006602 Sc1nnc(CSCc2cccc3ccccc23)n1c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E03 compound treatment 0.375 0.00631 0.24 0.374 0.0085 0.34 0.4118 0.9848 2072896 Maybridge1_006603 COc1ccccc1C2CCN(CC2)c3ccc(CO)cc3[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E04 compound treatment 0.374 0.00531 0.2 0.364 -0.0015 -0.06 0.1 0.4746 2072897 Maybridge1_006604 Nc1nnc(Sc2cc(c(Cl)cc2[N+](=O)[O-])n3cccc3)[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E05 compound treatment 0.369 3.12E-4 0.01 0.388 0.0225 0.91 0.6495 0.7163 1141662 Maybridge1_006605 COc1ccccc1C2CCN(CC2)C(=O)c3c(C)onc3c4c(Cl)cccc4Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E06 compound treatment 0.37 0.00131 0.05 0.36 -0.0055 -0.22 -0.1214 -0.5346 2072898 Maybridge1_006606 Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(cc3)C4CCCCC4)n2c5ccccc5)c6CCCc61 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E07 compound treatment 0.367 -0.00169 -0.06 0.358 -0.0075 -0.3 -0.259 -0.8385 1914101 Maybridge1_006607 OC(=O)c1ccccc1C(=O)Nc2ccc(Br)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E08 compound treatment 0.367 -0.00169 -0.06 0.372 0.0065 0.26 0.1399 0.5187 2072899 Maybridge1_006608 CCOC(=O)CCSc1cc(c(Cl)cc1[N+](=O)[O-])n2cccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E09 compound treatment 0.358 -0.0107 -0.41 0.377 0.0115 0.46 0.0405 0.0657 1225998 Maybridge1_006609 Clc1ccc(OC2CN(C2)C(c3ccccc3)c4ccccc4)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E10 compound treatment 0.367 -0.00169 -0.06 0.339 -0.0265 -1.07 -0.8004 -0.7482 2072900 Maybridge1_006610 [O-][N+](=O)c1ccc2oc(cc2c1)C(=O)c3cccc(Cl)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E11 compound treatment 0.365 -0.00369 -0.14 0.366 5.0E-4 0.02 -0.0848 -0.5993 1666166 Maybridge1_006611 O=C1N(CCC#N)C2CCCCC2C31OCCO3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E12 compound treatment 0.39 0.0213 0.81 0.385 0.0195 0.79 1.1283 0.9999 2072901 Maybridge1_006612 [O-][N+](=O)c1cc(Cl)c(cc1N2CCOCC2)n3cccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E13 compound treatment 0.365 -0.00369 -0.14 0.361 -0.0045 -0.18 -0.2273 -0.9919 1653130 Maybridge1_006613 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cc(C)no3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E14 compound treatment 0.362 -0.00669 -0.25 0.373 0.0075 0.3 0.034 0.0861 2072902 Maybridge1_006614 Clc1ccc(NC(=O)CN2CCOCC2)c(c1)C(=O)c3ccccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E15 compound treatment 0.355 -0.0137 -0.52 0.365 -5.0E-4 -0.02 -0.382 -0.7339 1328099 Maybridge1_006615 CCCCc1ccc(cc1)S(=O)(=O)N2CCC(CC2)c3ccccc3OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E16 compound treatment 0.363 -0.00569 -0.22 0.362 -0.0035 -0.14 -0.2526 -0.9786 2072903 Maybridge1_006616 COc1cc(I)c(OC)cc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E17 compound treatment 0.37 0.00131 0.05 0.373 0.0075 0.3 0.249 0.8128 2072904 Maybridge1_006617 CCCCOc1ccc(cc1)S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E18 compound treatment 0.366 -0.00269 -0.1 0.367 0.0015 0.06 -0.0295 -0.2484 1550589 Maybridge1_006618 Cc1ccc(C)c2c(O)ccnc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E19 compound treatment 0.363 -0.00569 -0.22 0.365 -5.0E-4 -0.02 -0.1671 -0.7697 2072905 Maybridge1_006619 CC(=O)Nc1cccc(OCCCN2C(=O)c3ccccc3C2=O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E20 compound treatment 0.356 -0.0127 -0.48 0.362 -0.0035 -0.14 -0.4407 -0.8772 1437311 Maybridge1_006620 C1CN(C1)C=C(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E21 compound treatment 0.385 0.0163 0.62 0.379 0.0135 0.54 0.823 0.9979 2072906 Maybridge1_006621 FC(F)(F)Oc1ccc(NC(=S)NNC(=O)CSCc2cccc3ccccc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E22 compound treatment 0.368 -6.88E-4 -0.03 0.362 -0.0035 -0.14 -0.1182 -0.8241 2072907 Maybridge1_006622 Clc1ccc2c(=O)[nH]cnc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E23 mock treatment 0.375 0.00631 0.24 0.366 5.0E-4 0.02 0.1839 0.7638 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 E24 positive control 0.075 -0.294 -11.16 0.076 -0.289 -11.67 -16.1407 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F01 compound treatment 0.362 -0.00669 -0.25 0.363 -0.0025 -0.1 -0.2509 -0.9179 1196658 Maybridge1_006623 ON=C1CCN(Cc2ccccc2)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F02 compound treatment 0.35 -0.0187 -0.71 0.351 -0.0145 -0.58 -0.9153 -0.9953 2072908 Maybridge1_006624 CCOC(=O)COc1nc(cc(c1C#N)C(F)(F)F)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F03 compound treatment 0.351 -0.0177 -0.67 0.352 -0.0135 -0.54 -0.8599 -0.9945 1065469 Maybridge1_006625 Oc1nc(nc2ccccc12)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F04 compound treatment 0.363 -0.00569 -0.22 0.355 -0.0105 -0.42 -0.452 -0.9514 2072909 Maybridge1_006626 CCOC(=O)/C(=C/Nc1cc(C)ccn1)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F05 compound treatment 0.366 -0.00269 -0.1 0.358 -0.0075 -0.3 -0.2859 -0.8963 2072910 Maybridge1_006627 Cc1onc(c1C(=O)NCCNc2ccc(cc2[N+](=O)[O-])C(F)(F)F)c3ccccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F06 compound treatment 0.365 -0.00369 -0.14 0.359 -0.0065 -0.26 -0.2843 -0.957 1642696 Maybridge1_006628 COc1ccc(cc1)C(=O)c2oc3ccc4ccccc4c3c2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F07 compound treatment 0.367 -0.00169 -0.06 0.37 0.0045 0.18 0.0829 0.4309 2072911 Maybridge1_006629 CCCc1ccc(cc1)S(=O)(=O)NNC(=O)c2ccc(cc2)n3c(C)ccc3C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F08 compound treatment 0.356 -0.0127 -0.48 0.357 -0.0085 -0.34 -0.5831 -0.986 2072912 Maybridge1_006630 CC(=O)CC1(O)C(=O)Nc2ccc(F)cc21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F09 compound treatment 0.372 0.00331 0.13 0.388 0.0225 0.91 0.7301 0.7976 2072913 Maybridge1_006631 CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c3ccccc3C(F)(F)F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F10 compound treatment 0.361 -0.00769 -0.29 0.356 -0.0095 -0.38 -0.4773 -0.9911 1110972 Maybridge1_006632 C1=CC(=C(c2ccccc2)c3ccccc3)C=C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F11 compound treatment 0.35 -0.0187 -0.71 0.356 -0.0095 -0.38 -0.7728 -0.958 2072914 Maybridge1_006633 CCC(=O)Nc1cc(C)cc(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F12 compound treatment 0.356 -0.0127 -0.48 0.352 -0.0135 -0.54 -0.7256 -0.9982 1246126 Maybridge1_006634 NC(=O)CC1(CC2CC3CC(C2)C1)C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F13 compound treatment 0.347 -0.0217 -0.82 0.358 -0.0075 -0.3 -0.7965 -0.9073 2072915 Maybridge1_006635 CCCCCC(=O)n1c2ccc(F)cc2c3nc4ccccc4nc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F14 compound treatment 0.354 -0.0147 -0.56 0.356 -0.0095 -0.38 -0.6654 -0.9831 1441808 Maybridge1_006636 Oc1c(c2ccccc2)c(=O)n3CCCc4cccc1c43 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F15 compound treatment 0.38 0.0113 0.43 0.384 0.0185 0.75 0.8311 0.9658 1565903 Maybridge1_006637 CC(C)(C)OC(=O)C(C)(C)Sc1nc(c(o1)c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F16 compound treatment 0.361 -0.00769 -0.29 0.363 -0.0025 -0.1 -0.2778 -0.899 2072916 Maybridge1_006638 CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F17 compound treatment 0.352 -0.0167 -0.63 0.36 -0.0055 -0.22 -0.6051 -0.9008 1378454 Maybridge1_006639 Cc1ccc(Sc2ncccc2n3cccc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F18 compound treatment 0.358 -0.0107 -0.41 0.366 5.0E-4 0.02 -0.2729 -0.6712 1185730 Maybridge1_006640 O=C1N(CC2(CCC=CC2)C#N)c3ccccc3C41OCCO4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F19 compound treatment 0.356 -0.0127 -0.48 0.355 -0.0105 -0.42 -0.6401 -0.9979 2072917 Maybridge1_006641 CCOC(=O)CSc1nc2cc(Cl)ccc2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F20 compound treatment 0.357 -0.0117 -0.44 0.359 -0.0065 -0.26 -0.4993 -0.9683 2072918 Maybridge1_006642 CNS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F21 compound treatment 0.358 -0.0107 -0.41 0.358 -0.0075 -0.3 -0.5009 -0.9894 2072919 Maybridge1_006643 Cc1[nH]c(=O)c(C#N)c(C)c1CC=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F22 compound treatment 0.342 -0.0267 -1.01 0.353 -0.0125 -0.5 -1.0733 -0.9478 2072920 Maybridge1_006644 CC(C)(NO)C(=O)c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F23 mock treatment 0.362 -0.00669 -0.25 0.357 -0.0085 -0.34 -0.4219 -0.9892 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 F24 positive control 0.074 -0.295 -11.2 0.074 -0.291 -11.75 -16.2245 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G01 compound treatment 0.36 -0.00869 -0.33 0.367 0.0015 0.06 -0.1907 -0.5682 1576730 Maybridge1_006645 Nc1nnc(SCC(=O)Nc2ccc3OCOc3c2)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G02 compound treatment 0.35 -0.0187 -0.71 0.352 -0.0135 -0.54 -0.8868 -0.9913 1130064 Maybridge1_006646 COc1ccccc1N2CCN(CC(C)N(C(=O)C3CCCCC3)c4ccccn4)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G03 compound treatment 0.337 -0.0317 -1.2 0.342 -0.0235 -0.95 -1.5211 -0.9929 2072921 Maybridge1_006647 Clc1cccc(SCc2cccc3ccccc23)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G04 compound treatment 0.36 -0.00869 -0.33 0.349 -0.0165 -0.66 -0.7036 -0.9478 2072922 Maybridge1_006648 Cc1ccc(OCc2nnc(S)n2c3ccccc3)c4CCCc41 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G05 compound treatment 0.383 0.0143 0.54 0.374 0.0085 0.34 0.6268 0.9752 2072923 Maybridge1_006649 COc1ccccc1C2CCN(CC2)C(=O)c3ccccc3C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G06 compound treatment 0.372 0.00331 0.13 0.372 0.0065 0.26 0.2742 0.9436 2072924 Maybridge1_006650 Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4OCOc43)n2c5ccccc5)c6CCCc61 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G07 compound treatment 0.359 -0.00969 -0.37 0.357 -0.0085 -0.34 -0.5025 -0.9994 1072142 Maybridge1_006651 C1COC2(CCC3(CC2)OCCO3)O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G08 compound treatment 0.371 0.00231 0.09 0.349 -0.0165 -0.66 -0.408 -0.6084 2072925 Maybridge1_006652 Cc1ccc(OCc2nnc(SCC(=O)c3ccc(cc3)[N+](=O)[O-])n2c4ccccc4)c5CCCc51 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G09 compound treatment 0.346 -0.0227 -0.86 0.349 -0.0165 -0.66 -1.0798 -0.9918 1059089 Maybridge1_006653 O=C1NNC(C1c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G10 compound treatment 0.354 -0.0147 -0.56 0.362 -0.0035 -0.14 -0.4944 -0.8588 2072926 Maybridge1_006654 [O-][N+](=O)c1cc(Cl)c(cc1N2CCCCC2)n3cccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G11 compound treatment 0.343 -0.0257 -0.98 0.343 -0.0225 -0.91 -1.3314 -0.9993 2072927 Maybridge1_006655 [O-][N+](=O)c1cccc(c1)C(=O)Oc2ccc(Oc3ccccc3)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G12 compound treatment 0.372 0.00331 0.13 0.367 0.0015 0.06 0.1318 0.9435 2072928 Maybridge1_006656 [O-][N+](=O)c1cc(Cl)c(cc1N2CCCC2)n3cccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G13 compound treatment 0.359 -0.00969 -0.37 0.342 -0.0235 -0.95 -0.9299 -0.9153 1573326 Maybridge1_006657 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3cc(Cl)cc(Cl)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G14 compound treatment 0.359 -0.00969 -0.37 0.363 -0.0025 -0.1 -0.3315 -0.8687 1433613 Maybridge1_006658 Brc1ccc(cc1)C(=O)c2cc3cc(Br)cc(Br)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G15 compound treatment 0.402 0.0333 1.27 0.396 0.0305 1.23 1.7642 0.9999 2072929 Maybridge1_006659 [O-][N+](=O)c1ccc(o1)C2NC(=O)c3c4CCCCc4sc3N2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G16 compound treatment 0.368 -6.88E-4 -0.03 0.371 0.0055 0.22 0.1382 0.6195 2072930 Maybridge1_006660 [O-][N+](=O)c1cccc(c1)c2csc(=Nc3ccccc3)n2c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G17 compound treatment 0.355 -0.0137 -0.52 0.346 -0.0195 -0.79 -0.9234 -0.9799 2072931 Maybridge1_006661 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3ccccc3C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G18 compound treatment 0.36 -0.00869 -0.33 0.355 -0.0105 -0.42 -0.5326 -0.9925 1731945 Maybridge1_006662 COc1cc(CCC(C)N)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G19 compound treatment 0.374 0.00531 0.2 0.364 -0.0015 -0.06 0.1 0.4746 2072932 Maybridge1_006663 CC(C)(C)c1ccc(cc1)C(=O)O/N=C/c2ccc3OCOc3c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G20 compound treatment 0.355 -0.0137 -0.52 0.365 -5.0E-4 -0.02 -0.382 -0.7339 1589048 Maybridge1_006664 CCC(=O)Cc1c(C)[nH]c2ccc(OC)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G21 compound treatment 0.37 0.00131 0.05 0.376 0.0105 0.42 0.3345 0.785 2072933 Maybridge1_006665 COc1ccc(NC(=S)NNC(=O)CSCc2cccc3ccccc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G22 compound treatment 0.356 -0.0127 -0.48 0.36 -0.0055 -0.22 -0.4976 -0.9378 1004920 Maybridge1_006666 OC(=O)Cc1ccc(F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G23 mock treatment 0.363 -0.00569 -0.22 0.369 0.0035 0.14 -0.0531 -0.2057 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 G24 positive control 0.075 -0.294 -11.16 0.076 -0.289 -11.67 -16.1407 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H01 compound treatment 0.414 0.0453 1.72 0.414 0.0485 1.95 2.5995 0.998 1522882 Maybridge1_006667 Cc1ccc(C)n1c2ccc(cc2)C(=O)NN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H02 compound treatment 0.37 0.00131 0.05 0.385 0.0195 0.79 0.5909 0.7505 2072934 Maybridge1_006668 COc1ccc(cc1)C(=O)COc2nc(cc(c2C#N)C(F)(F)F)c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H03 compound treatment 0.389 0.0203 0.77 0.4 0.0345 1.39 1.5289 0.9615 2072935 Maybridge1_006669 Cc1ccc(cc1)S(=O)(=O)NCCNc2ccc(cc2[N+](=O)[O-])C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H04 compound treatment 0.391 0.0223 0.85 0.361 -0.0045 -0.18 0.4713 0.5436 2072936 Maybridge1_006670 CCOC(=O)/C(=C/Nc1ccc2OCOc2c1)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H05 compound treatment 0.371 0.00231 0.09 0.365 -5.0E-4 -0.02 0.0479 0.5312 2072937 Maybridge1_006671 Cc1onc(c1C(=O)NCCNc2ccc(cc2[N+](=O)[O-])C(F)(F)F)c3c(F)cccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H06 compound treatment 0.213 -0.156 -5.92 0.198 -0.168 -6.75 -8.9562 -0.9978 2072938 Maybridge1_006672 CC1(C)N=c2ccc(cc2=N1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H07 compound treatment 0.39 0.0213 0.81 0.402 0.0365 1.47 1.6127 0.9605 2072939 Maybridge1_006673 Cc1ccc(C)n1c2ccc(cc2)C(=O)NNS(=O)(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H08 compound treatment 0.379 0.0103 0.39 0.361 -0.0045 -0.18 0.1489 0.3448 1147764 Maybridge1_006674 COC(=O)c1cccnc1Sc2ccc(C)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H09 compound treatment 0.385 0.0163 0.62 0.365 -5.0E-4 -0.02 0.4241 0.6838 1479714 Maybridge1_006675 COc1ccc(cc1OC)C(=O)Nc2cccnc2Oc3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H10 compound treatment 0.399 0.0303 1.15 0.396 0.0305 1.23 1.6836 0.9995 2072940 Maybridge1_006676 O=C(N/N=C/1\C(=O)Nc2ccccc12)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H11 compound treatment 0.363 -0.00569 -0.22 0.361 -0.0045 -0.18 -0.2811 -0.9962 1528049 Maybridge1_006677 CCC(=O)Nc1cc(OC)cc(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H12 compound treatment 0.37 0.00131 0.05 0.363 -0.0025 -0.1 -0.036 -0.32 2072941 Maybridge1_006678 OC(=O)C1(CC2CC3C1)CC(C2)(C3)c4ccc(cc4)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H13 compound treatment 0.366 -0.00269 -0.1 0.348 -0.0175 -0.71 -0.5709 -0.8012 1468197 Maybridge1_006679 Clc1ccc(Oc2ncccc2NS(=O)(=O)c3ccc(Cl)cc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H14 compound treatment 0.369 3.12E-4 0.01 0.362 -0.0035 -0.14 -0.0913 -0.6453 1264289 Maybridge1_006680 COc1ccc2c(O)c(Cc3ccccc3)c(=O)[nH]c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H15 compound treatment 0.364 -0.00469 -0.18 0.362 -0.0035 -0.14 -0.2257 -0.9933 2072942 Maybridge1_006681 Cc1nc(cn1CC=C)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H16 compound treatment 0.369 3.12E-4 0.01 0.368 0.0025 0.1 0.0796 0.785 2072943 Maybridge1_006682 N[C@@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H17 compound treatment 0.365 -0.00369 -0.14 0.367 0.0015 0.06 -0.0563 -0.3692 2072944 Maybridge1_006683 Cc1nc(cn1CC(=O)c2ccccc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H18 compound treatment 0.359 -0.00969 -0.37 0.363 -0.0025 -0.1 -0.3315 -0.8687 2072945 Maybridge1_006684 COC(=O)C(C)(N)Cc1c[nH]c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H19 compound treatment 0.361 -0.00769 -0.29 0.366 5.0E-4 0.02 -0.1923 -0.6568 2072946 Maybridge1_006685 CN(C(=O)CN1CCN(CC1)c2cc(C)nc3ccccc23)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H20 compound treatment 0.371 0.00231 0.09 0.365 -5.0E-4 -0.02 0.0479 0.5312 1224541 Maybridge1_006686 O=C1CN=C(c2ccccc2)c3ccccc3N1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H21 compound treatment 0.358 -0.0107 -0.41 0.359 -0.0065 -0.26 -0.4724 -0.9775 2072947 Maybridge1_006687 Cc1cc(N2CCN(CC(=O)c3ccccc3)CC2)c4ccccc4n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H22 compound treatment 0.432 0.0633 2.41 0.427 0.0615 2.48 3.4536 0.9999 1340087 Maybridge1_006688 Cc1cc2c(N)cccc2nn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H23 mock treatment 0.371 0.00231 0.09 0.376 0.0105 0.42 0.3613 0.8361 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 H24 positive control 0.077 -0.292 -11.08 0.075 -0.29 -11.71 -16.1154 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I01 compound treatment 0.357 -0.0117 -0.44 0.362 -0.0035 -0.14 -0.4138 -0.888 2072948 Maybridge1_006689 Cc1ccc(cc1)S(=O)(=O)Oc2ccc(C)cc2Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I02 compound treatment 0.354 -0.0147 -0.56 0.353 -0.0125 -0.5 -0.7508 -0.9987 2072949 Maybridge1_006690 Cc1cnc2CCCC(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I03 compound treatment 0.36 -0.00869 -0.33 0.363 -0.0025 -0.1 -0.3047 -0.8827 1290694 Maybridge1_006691 COc1ccccc1C2CCN(CC2)C(=O)c3ccc(F)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I04 compound treatment 0.357 -0.0117 -0.44 0.35 -0.0155 -0.62 -0.7557 -0.986 2072950 Maybridge1_006692 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I05 compound treatment 0.363 -0.00569 -0.22 0.361 -0.0045 -0.18 -0.2811 -0.9962 1611583 Maybridge1_006693 COc1ccccc1C2CCN(CC2)C(=O)c3ccccc3C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I06 compound treatment 0.405 0.0363 1.38 0.388 0.0225 0.91 1.6169 0.9792 2072951 Maybridge1_006694 CCc1cc2c(cc1C(=O)CSc3nnc(COc4ccc(C)c5CCCc54)n3c6ccccc6)C(C)(C)CCC2(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I07 compound treatment 0.361 -0.00769 -0.29 0.368 0.0025 0.1 -0.1353 -0.438 2072952 Maybridge1_006695 Fc1ccc(CCc2ccc(F)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I08 compound treatment 0.403 0.0343 1.3 0.406 0.0405 1.63 2.076 0.9938 2072953 Maybridge1_006696 Cc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)n2c4ccccc4)c5CCCc51 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I09 compound treatment 0.381 0.0123 0.47 0.359 -0.0065 -0.26 0.1456 0.2716 1226641 Maybridge1_006697 O=C1CCCc2nc3CCCC(=O)c3cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I10 compound treatment 0.39 0.0213 0.81 0.378 0.0125 0.5 0.9289 0.9739 1616269 Maybridge1_006698 Cc1ccc(C)c2c(O)c(cnc12)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I11 compound treatment 0.37 0.00131 0.05 0.359 -0.0065 -0.26 -0.1499 -0.5624 1571873 Maybridge1_006699 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3ccc(C)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I12 compound treatment 0.383 0.0143 0.54 0.36 -0.0055 -0.22 0.2279 0.388 2072954 Maybridge1_006700 COc1ccc(cc1)C(=O)c2cc3cc(ccc3o2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I13 compound treatment 0.375 0.00631 0.24 0.359 -0.0065 -0.26 -0.0156 -0.0439 2072955 Maybridge1_006701 Fc1ccc(cc1)C(=O)NNC(=O)CSCc2cccc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I14 compound treatment 0.374 0.00531 0.2 0.366 5.0E-4 0.02 0.157 0.7738 1342049 Maybridge1_006702 Clc1cc(Cl)c2oc(cc2c1)C(=O)c3ccc(Br)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I15 compound treatment 0.362 -0.00669 -0.25 0.357 -0.0085 -0.34 -0.4219 -0.9892 2072956 Maybridge1_006703 Cc1nnc(Sc2ccc([N+](=O)[O-])c(Sc3nnc(C)s3)n2)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I16 compound treatment 0.377 0.00831 0.32 0.376 0.0105 0.42 0.5226 0.9896 2072957 Maybridge1_006704 [O-][N+](=O)c1cc(Cl)c(cc1SCc2ccc(Cl)cc2Cl)n3cccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I17 compound treatment 0.37 0.00131 0.05 0.368 0.0025 0.1 0.1065 0.9474 1731945 Maybridge1_006705 COc1cc(CCC(C)N)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I18 compound treatment 0.366 -0.00269 -0.1 0.36 -0.0055 -0.22 -0.2289 -0.9381 2072958 Maybridge1_006706 OC(c1cc2cc(ccc2o1)[N+](=O)[O-])c3ccc(cc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I19 compound treatment 0.365 -0.00369 -0.14 0.369 0.0035 0.14 6.0E-4 0.0032 1682780 Maybridge1_006707 CCOC(=O)c1c[nH]c2ccccc2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I20 compound treatment 0.368 -6.88E-4 -0.03 0.365 -5.0E-4 -0.02 -0.0327 -0.9918 2072959 Maybridge1_006708 OS(=O)(=O)c1ccc(Nc2ncnc3ccccc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I21 compound treatment 0.374 0.00531 0.2 0.365 -5.0E-4 -0.02 0.1285 0.6334 2072960 Maybridge1_006709 CCCCc1ccc(NC(=S)NNC(=O)CSCc2cccc3ccccc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I22 compound treatment 0.37 0.00131 0.05 0.369 0.0035 0.14 0.135 0.9024 1020457 Maybridge1_006710 OC(=O)c1ccccc1C(=O)Nc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I23 mock treatment 0.375 0.00631 0.24 0.373 0.0075 0.3 0.3833 0.9935 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 I24 positive control 0.076 -0.293 -11.12 0.078 -0.287 -11.59 -16.0568 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J01 compound treatment 0.348 -0.0207 -0.79 0.341 -0.0245 -0.99 -1.254 -0.9936 1719291 Maybridge1_006711 COc1cc(Br)cc2cc(C(=O)O)c(=O)oc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J02 compound treatment 0.367 -0.00169 -0.06 0.363 -0.0025 -0.1 -0.1166 -0.9762 2072961 Maybridge1_006712 FC(F)(F)c1cc(nc(OCC(=O)c2ccc(Cl)cc2)c1C#N)c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J03 compound treatment 0.369 3.12E-4 0.01 0.333 -0.0325 -1.31 -0.9177 -0.7007 2072962 Maybridge1_006713 CC(=O)OCc1cc(/C=N/N(C(=O)C)c2ccccc2)nn1c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J04 compound treatment 0.384 0.0153 0.58 0.353 -0.0125 -0.5 0.0553 0.0718 1464724 Maybridge1_006714 COc1ccc(cc1)C(=O)COc2ccc(C)cc2NC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J05 compound treatment 0.394 0.0253 0.96 0.375 0.0095 0.38 0.9509 0.9185 2072963 Maybridge1_006715 CC(=O)C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J06 compound treatment 0.364 -0.00469 -0.18 0.357 -0.0085 -0.34 -0.3682 -0.9536 1626134 Maybridge1_006716 Cc1ccc2cc(NC(=O)c3ccco3)ccc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J07 compound treatment 0.423 0.0543 2.06 0.422 0.0565 2.28 3.0693 0.9988 2072964 Maybridge1_006717 [O-][N+](=O)c1cc(ccc1NCCNC(=O)c2cccnc2Oc3ccccc3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J08 compound treatment 0.585 0.216 8.22 0.564 0.199 8.0 11.4686 0.9999 2072965 Maybridge1_006718 [O-][N+](=O)c1ccc(o1)c2nnc(S)o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J09 compound treatment 0.408 0.0393 1.49 0.378 0.0125 0.5 1.4125 0.896 1362612 Maybridge1_006719 Clc1ccc(Oc2ncccc2NC(=O)c3cccc4ccccc34)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J10 compound treatment 0.362 -0.00669 -0.25 0.363 -0.0025 -0.1 -0.2509 -0.9179 2072966 Maybridge1_006720 OC(=O)C1CC1(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J11 compound treatment 0.382 0.0133 0.51 0.366 5.0E-4 0.02 0.372 0.7347 2072967 Maybridge1_006721 Cc1ccc(C)n1c2ccc(cc2)C(=O)NNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J12 compound treatment 0.366 -0.00269 -0.1 0.37 0.0045 0.18 0.056 0.2691 2072968 Maybridge1_006722 OC1(CCN(Cc2ccccc2)CC1)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J13 compound treatment 0.366 -0.00269 -0.1 0.375 0.0095 0.38 0.1985 0.5009 2072969 Maybridge1_006723 CCCCCc1ccc(cc1)S(=O)(=O)Nc2cccnc2Oc3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J14 compound treatment 0.355 -0.0137 -0.52 0.364 -0.0015 -0.06 -0.4105 -0.784 1060930 Maybridge1_006724 CCCC(NC(=O)CN)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J15 compound treatment 0.373 0.00431 0.16 0.359 -0.0065 -0.26 -0.0693 -0.2244 1319787 Maybridge1_006725 Cc1ccc(C)n1c2cccnc2Sc3ccc(C)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J16 compound treatment 0.36 -0.00869 -0.33 0.361 -0.0045 -0.18 -0.3617 -0.9602 1320822 Maybridge1_006726 Clc1ccc(cc1)C2C(=O)c3ccccc3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J17 compound treatment 0.358 -0.0107 -0.41 0.363 -0.0025 -0.1 -0.3584 -0.8565 2072970 Maybridge1_006727 COc1ccc(cc1)C(=O)Cn2cc(nc2C)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J18 compound treatment 0.368 -6.88E-4 -0.03 0.364 -0.0015 -0.06 -0.0612 -0.9296 1369467 Maybridge1_006728 COC(=O)CCC1CC2(CCC1=O)OCCO2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J19 compound treatment 0.369 3.12E-4 0.01 0.365 -5.0E-4 -0.02 -0.0058 -0.2501 2072971 Maybridge1_006729 CCOC(=O)COc1nc(C)cc(c1C#N)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J20 compound treatment 0.38 0.0113 0.43 0.36 -0.0055 -0.22 0.1473 0.3045 1331647 Maybridge1_006730 CC1(C)C2CCC1(C)C(C2)NC(=O)c3ccc(Cl)cc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J21 compound treatment 0.371 0.00231 0.09 0.371 0.0055 0.22 0.2189 0.918 2072972 Maybridge1_006731 Nc1nnc(SCCCCOC2CCCCO2)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J22 compound treatment 0.37 0.00131 0.05 0.372 0.0065 0.26 0.2205 0.8269 2072973 Maybridge1_006732 Cc1cc2-c3nonc3CCc2nn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J23 mock treatment 0.371 0.00231 0.09 0.371 0.0055 0.22 0.2189 0.918 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 J24 positive control 0.08 -0.289 -10.97 0.076 -0.289 -11.67 -16.0063 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K01 compound treatment 0.354 -0.0147 -0.56 0.352 -0.0135 -0.54 -0.7793 -0.9999 2072974 Maybridge1_006733 COc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K02 compound treatment 0.345 -0.0237 -0.9 0.337 -0.0285 -1.15 -1.4486 -0.9927 1205178 Maybridge1_006734 N#Cc1ccc2[nH]cc(CCN(Cc3ccccc3)Cc4ccccc4)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K03 compound treatment 0.351 -0.0177 -0.67 0.352 -0.0135 -0.54 -0.8599 -0.9945 1727215 Maybridge1_006735 COc1ccccc1C2CCN(CC2)C(=O)c3ccccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K04 compound treatment 0.438 0.0693 2.63 0.415 0.0495 1.99 3.2729 0.9906 2072975 Maybridge1_006736 [O-][N+](=O)/C=C/c1ccc2OCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K05 compound treatment 0.348 -0.0207 -0.79 0.335 -0.0305 -1.23 -1.425 -0.9767 2072976 Maybridge1_006737 COC(=O)C1Cc2c([nH]c3ccccc23)C4(CCN(C)CC4)N1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K06 compound treatment 0.4 0.0313 1.19 0.386 0.0205 0.83 1.4255 0.9841 2072977 Maybridge1_006738 Cc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)n2c4ccccc4)c5CCCc51 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K07 compound treatment 0.364 -0.00469 -0.18 0.355 -0.0105 -0.42 -0.4251 -0.9261 2072949 Maybridge1_006739 Cc1cnc2CCCC(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K08 compound treatment 0.423 0.0543 2.06 0.424 0.0585 2.36 3.1263 0.9978 2072978 Maybridge1_006740 Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2c4ccccc4)c5CCCc51 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K09 compound treatment 0.369 3.12E-4 0.01 0.369 0.0035 0.14 0.1081 0.7639 1702857 Maybridge1_006741 Cc1cccc(NC(=O)c2cccc3ccccc23)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K10 compound treatment 0.395 0.0263 1.0 0.386 0.0205 0.83 1.2912 0.9955 2072979 Maybridge1_006742 [O-][N+](=O)c1ccc2oc(cc2c1)C(=O)c3ccc(cc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K11 compound treatment 0.373 0.00431 0.16 0.361 -0.0045 -0.18 -0.0123 -0.0505 1540037 Maybridge1_006743 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3ccccc3Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K12 compound treatment 0.376 0.00731 0.28 0.366 5.0E-4 0.02 0.2107 0.7564 2072980 Maybridge1_006744 COc1cc(NC(=O)C)cc(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K13 compound treatment 0.392 0.0233 0.89 0.364 -0.0015 -0.06 0.5837 0.6573 2072981 Maybridge1_006745 COC(=O)C(Cc1c[nH]c2ccccc12)/N=C/c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K14 compound treatment 0.374 0.00531 0.2 0.367 0.0015 0.06 0.1855 0.8802 1427936 Maybridge1_006746 Fc1ccc(cc1)C(=O)c2cc3cc(Cl)cc(Cl)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K15 compound treatment 0.369 3.12E-4 0.01 0.36 -0.0055 -0.22 -0.1483 -0.6683 1705365 Maybridge1_006747 CN1CCCC21NCCc3c2[nH]c4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K16 compound treatment 0.369 3.12E-4 0.01 0.368 0.0025 0.1 0.0796 0.785 1024400 Maybridge1_006748 COC(=O)C(N)Cc1c[nH]c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K17 compound treatment 0.369 3.12E-4 0.01 0.37 0.0045 0.18 0.1366 0.7518 2072982 Maybridge1_006749 O/N=C/1\CCCc2[nH]c3ccccc3c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K18 compound treatment 0.367 -0.00169 -0.06 0.359 -0.0065 -0.26 -0.2306 -0.855 2072983 Maybridge1_006750 OC(c1cc2cc(ccc2o1)[N+](=O)[O-])c3ccc(F)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K19 compound treatment 0.394 0.0253 0.96 0.388 0.0225 0.91 1.3213 0.9996 1554526 Maybridge1_006751 Brc1cnc(nc1)N2CCNCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K20 compound treatment 0.361 -0.00769 -0.29 0.368 0.0025 0.1 -0.1353 -0.438 2072984 Maybridge1_006752 Cc1ccc(N/N=C\2/CCCNC2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K21 compound treatment 0.36 -0.00869 -0.33 0.361 -0.0045 -0.18 -0.3617 -0.9602 2072985 Maybridge1_006753 O=C(CSCc1cccc2ccccc12)NNC(=S)NC3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K22 compound treatment 0.368 -6.88E-4 -0.03 0.365 -5.0E-4 -0.02 -0.0327 -0.9918 1324807 Maybridge1_006754 O=C(C1CCCCC1)N2CCNCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K23 mock treatment 0.373 0.00431 0.16 0.361 -0.0045 -0.18 -0.0123 -0.0505 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 K24 positive control 0.081 -0.288 -10.93 0.08 -0.285 -11.5 -15.8655 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L01 compound treatment 0.35 -0.0187 -0.71 0.344 -0.0215 -0.87 -1.1148 -0.9951 1004718 Maybridge1_006755 OC(=O)Cc1c[nH]c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L02 compound treatment 0.338 -0.0307 -1.17 0.329 -0.0365 -1.47 -1.8646 -0.9934 2072986 Maybridge1_006756 COc1ccc(cc1)C(=O)COc2nc(cc(c2C#N)C(F)(F)F)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L03 compound treatment 0.336 -0.0327 -1.24 0.337 -0.0285 -1.15 -1.6904 -0.9992 1921262 Maybridge1_006757 O=C(NNC(=O)c1ccccc1)Nc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L04 compound treatment 0.352 -0.0167 -0.63 0.328 -0.0375 -1.51 -1.5169 -0.9256 2072987 Maybridge1_006758 COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(Cl)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L05 compound treatment 0.389 0.0203 0.77 0.36 -0.0055 -0.22 0.3891 0.4845 2072988 Maybridge1_006759 [O-][N+](=O)c1cc(ccc1NCCNS(=O)(=O)c2ccc3ccccc3c2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L06 compound treatment 0.348 -0.0207 -0.79 0.34 -0.0255 -1.03 -1.2825 -0.9913 1687379 Maybridge1_006760 Cc1ccc2cc(NC(=O)c3cccs3)ccc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L07 compound treatment 0.392 0.0233 0.89 0.36 -0.0055 -0.22 0.4697 0.5144 2072989 Maybridge1_006761 CCCc1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)n3c(C)ccc3C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L08 compound treatment 0.312 -0.0567 -2.15 0.365 -5.0E-4 -0.02 -1.5375 -0.7137 2072990 Maybridge1_006762 Sc1nnc2nc(c3ccccc3)c(nn12)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L09 compound treatment 0.4 0.0313 1.19 0.381 0.0155 0.62 1.2831 0.9547 1360230 Maybridge1_006763 CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c3ccco3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L10 compound treatment 0.359 -0.00969 -0.37 0.351 -0.0145 -0.58 -0.6735 -0.9752 2072991 Maybridge1_006764 CC(=O)c1ccc(cc1)C2CC2(Cl)Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L11 compound treatment 0.359 -0.00969 -0.37 0.357 -0.0085 -0.34 -0.5025 -0.9994 1505726 Maybridge1_006765 CC(C)(C)OC(=O)C(C)(C)Sc1nnc(N)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L12 compound treatment 0.361 -0.00769 -0.29 0.354 -0.0115 -0.46 -0.5343 -0.9753 1005800 Maybridge1_006766 Cc1ccc2cccc(Cl)c2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L13 compound treatment 0.364 -0.00469 -0.18 0.362 -0.0035 -0.14 -0.2257 -0.9933 2072992 Maybridge1_006767 NC(=O)c1ccccc1NC(=O)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L14 compound treatment 0.358 -0.0107 -0.41 0.356 -0.0095 -0.38 -0.5579 -0.9996 1050132 Maybridge1_006768 NCC(=O)NC(Cc1ccccc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L15 compound treatment 0.368 -6.88E-4 -0.03 0.37 0.0045 0.18 0.1097 0.599 1424974 Maybridge1_006769 CCOC(=O)c1ccc2nc(cc(O)c2c1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L16 compound treatment 0.364 -0.00469 -0.18 0.35 -0.0155 -0.62 -0.5676 -0.8739 2072993 Maybridge1_006770 OC1=C(C(=O)c2ccccc12)c3ccc(Br)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L17 compound treatment 0.399 0.0303 1.15 0.398 0.0325 1.31 1.7406 0.998 1433410 Maybridge1_006771 Cc1cc(N2CCNCC2)c3ccccc3n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L18 compound treatment 0.365 -0.00369 -0.14 0.356 -0.0095 -0.38 -0.3698 -0.9071 2072994 Maybridge1_006772 CC(Nc1ccccc1)C2CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L19 compound treatment 0.363 -0.00569 -0.22 0.361 -0.0045 -0.18 -0.2811 -0.9962 2072995 Maybridge1_006773 COc1cccc(c1)c2nnc(o2)c3ccccc3NC(=O)c4ccc(F)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L20 compound treatment 0.397 0.0283 1.08 0.408 0.0425 1.71 1.9718 0.9749 1406897 Maybridge1_006774 CC(C)(C)c1ccc(cc1)C(=O)NC2CC3CCC2(C)C3(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L21 compound treatment 0.346 -0.0227 -0.86 0.354 -0.0115 -0.46 -0.9373 -0.9576 2072996 Maybridge1_006775 CC(O)c1sc(nc1C)c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L22 compound treatment 0.366 -0.00269 -0.1 0.359 -0.0065 -0.26 -0.2574 -0.9157 1614912 Maybridge1_006776 C1Cc2nnc(cc2-c3nonc13)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L23 mock treatment 0.367 -0.00169 -0.06 0.366 5.0E-4 0.02 -0.0311 -0.4626 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 L24 positive control 0.079 -0.29 -11.01 0.078 -0.287 -11.59 -15.9762 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M01 compound treatment 0.343 -0.0257 -0.98 0.336 -0.0295 -1.19 -1.5308 -0.9952 2072997 Maybridge1_006777 COS(=O)(=O)c1ccc2C(=O)CC(C)(C)Oc2c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M02 compound treatment 0.338 -0.0307 -1.17 0.33 -0.0355 -1.43 -1.8361 -0.9949 2072998 Maybridge1_006778 FC(F)(F)Oc1ccc(cc1)n2c(S)nnc2CSCc3cccc4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M03 compound treatment 0.333 -0.0357 -1.36 0.32 -0.0455 -1.83 -2.2554 -0.989 1048869 Maybridge1_006779 Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M04 compound treatment 0.356 -0.0127 -0.48 0.343 -0.0225 -0.91 -0.982 -0.9563 2072999 Maybridge1_006780 CC1=NN(C(=O)C1)c2ccc(F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M05 compound treatment 0.37 0.00131 0.05 0.364 -0.0015 -0.06 -0.0075 -0.0954 2073000 Maybridge1_006781 CCOC(CN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(C)cc2)c1)S(=O)(=O)c3ccc(C)cc3)OCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M06 compound treatment 0.379 0.0103 0.39 0.367 0.0015 0.06 0.3198 0.8066 2073001 Maybridge1_006782 Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(c3)C(F)(F)F)n2c4ccccc4)c5CCCc51 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M07 compound treatment 0.349 -0.0197 -0.75 0.338 -0.0275 -1.11 -1.3126 -0.9817 1287839 Maybridge1_006783 CN1C2CCC1CC(=NO)C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M08 compound treatment 0.376 0.00731 0.28 0.389 0.0235 0.95 0.8661 0.8776 2073002 Maybridge1_006784 CSc1nnc(COc2ccc(C)c3CCCc32)n1c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M09 compound treatment 0.352 -0.0167 -0.63 0.347 -0.0185 -0.75 -0.9755 -0.9968 1652203 Maybridge1_006785 Fc1ccc(CN2CCC(CC2)NC(=O)c3ccccc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M10 compound treatment 0.361 -0.00769 -0.29 0.352 -0.0135 -0.54 -0.5912 -0.9575 2073003 Maybridge1_006786 [O-][N+](=O)c1ccc2oc(cc2c1)C(=O)c3ccc(OC(F)(F)F)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M11 compound treatment 0.357 -0.0117 -0.44 0.354 -0.0115 -0.46 -0.6417 -0.9998 1134551 Maybridge1_006787 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3ccc(OC)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M12 compound treatment 0.363 -0.00569 -0.22 0.357 -0.0085 -0.34 -0.395 -0.9753 2073004 Maybridge1_006788 [O-][N+](=O)c1cccc(c1)C(=O)c2cc3cc(Br)cc(Br)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M13 compound treatment 0.361 -0.00769 -0.29 0.351 -0.0145 -0.58 -0.6197 -0.9487 2073005 Maybridge1_006789 CC/1(C)C2CC[C@](C)(C2)\C1=N\O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M14 compound treatment 0.369 3.12E-4 0.01 0.364 -0.0015 -0.06 -0.0343 -0.5575 1223857 Maybridge1_006790 Clc1ccc(cc1)C(=O)c2cc3cc(Cl)cc(Cl)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M15 compound treatment 0.375 0.00631 0.24 0.362 -0.0035 -0.14 0.0699 0.2512 1337456 Maybridge1_006791 CC(C)(C)NC(=O)N1CCN(CC1)c2ncnc3scc(c4ccccc4)c23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M16 compound treatment 0.392 0.0233 0.89 0.368 0.0025 0.1 0.6977 0.7825 2073006 Maybridge1_006792 [O-][N+](=O)c1cc(Cl)c(cc1SCc2ccc(Cl)c(Cl)c2)n3cccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M17 compound treatment 0.366 -0.00269 -0.1 0.365 -5.0E-4 -0.02 -0.0865 -0.8306 1427039 Maybridge1_006793 COc1ccccc1N2CCN(CC2)C(=O)c3ccc(N)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M18 compound treatment 0.367 -0.00169 -0.06 0.358 -0.0075 -0.3 -0.259 -0.8385 2073007 Maybridge1_006794 CCOC(=O)c1ccc(cc1)n2c(C)ccc2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M19 compound treatment 0.364 -0.00469 -0.18 0.366 5.0E-4 0.02 -0.1117 -0.6232 2073008 Maybridge1_006795 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M20 compound treatment 0.37 0.00131 0.05 0.366 5.0E-4 0.02 0.0495 0.9205 1248044 Maybridge1_006796 CC(Nc1ccccn1)C(=O)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M21 compound treatment 0.363 -0.00569 -0.22 0.364 -0.0015 -0.06 -0.1956 -0.8714 1364670 Maybridge1_006797 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M22 compound treatment 0.361 -0.00769 -0.29 0.364 -0.0015 -0.06 -0.2493 -0.8357 1495828 Maybridge1_006798 O=C1N(CCC#N)c2ccccc2C31OCCO3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M23 mock treatment 0.37 0.00131 0.05 0.359 -0.0065 -0.26 -0.1499 -0.5624 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 M24 positive control 0.082 -0.287 -10.89 0.082 -0.283 -11.42 -15.7816 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N01 compound treatment 0.387 0.0183 0.7 0.392 0.0265 1.07 1.2472 0.9785 2073009 Maybridge1_006799 CC(=O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N02 compound treatment 0.333 -0.0357 -1.36 0.324 -0.0415 -1.67 -2.1415 -0.9946 2073010 Maybridge1_006800 Cc1c(sc2ccc(Cl)cc12)C(=O)COc3nc(cc(c3C#N)C(F)(F)F)c4cccs4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N03 compound treatment 0.372 0.00331 0.13 0.36 -0.0055 -0.22 -0.0677 -0.2656 2073011 Maybridge1_006801 Cc1ccc(C)n1c2ccc(cc2)c3nnc(S)n3c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N04 compound treatment 0.343 -0.0257 -0.98 0.334 -0.0315 -1.27 -1.5878 -0.9916 1218710 Maybridge1_006802 Cc1c(oc2ccc3ccccc3c12)C(=O)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N05 compound treatment 0.377 0.00831 0.32 0.358 -0.0075 -0.3 0.0097 0.0221 2073012 Maybridge1_006803 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCNc2ccc(cc2[N+](=O)[O-])C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N06 compound treatment 0.357 -0.0117 -0.44 0.341 -0.0245 -0.99 -1.0122 -0.935 1505499 Maybridge1_006804 OC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N07 compound treatment 0.348 -0.0207 -0.79 0.35 -0.0155 -0.62 -0.9975 -0.9935 1384754 Maybridge1_006805 CCCc1ccc(cc1)C(=O)Nc2cccnc2Oc3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N08 compound treatment 0.357 -0.0117 -0.44 0.344 -0.0215 -0.87 -0.9267 -0.9518 2073013 Maybridge1_006806 CCSC(SCC)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N09 compound treatment 0.393 0.0243 0.92 0.382 0.0165 0.66 1.1234 0.987 1138325 Maybridge1_006807 CCCc1ccc(cc1)C(=O)Nc2cccnc2Oc3ccc(OC)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N10 compound treatment 0.395 0.0263 1.0 0.379 0.0135 0.54 1.0917 0.9591 1187040 Maybridge1_006808 C(c1nc2ccccc2s1)c3nc4ccccc4s3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N11 compound treatment 0.36 -0.00869 -0.33 0.356 -0.0095 -0.38 -0.5041 -0.9973 1051542 Maybridge1_006809 CC1(CC2CC1C=C2)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N12 compound treatment 0.367 -0.00169 -0.06 0.358 -0.0075 -0.3 -0.259 -0.8385 864479 Maybridge1_006810 COc1cc(CC(N)C(=O)O)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N13 compound treatment 0.365 -0.00369 -0.14 0.378 0.0125 0.5 0.2571 0.4917 1194173 Maybridge1_006811 CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c3cccc4ccccc34)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N14 compound treatment 0.366 -0.00269 -0.1 0.355 -0.0105 -0.42 -0.3714 -0.8533 2073014 Maybridge1_006812 NCC(=O)NCC(=O)NCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N15 compound treatment 0.378 0.00931 0.35 0.368 0.0025 0.1 0.3215 0.8737 2073015 Maybridge1_006813 [O-][N+](=O)c1cc(Cl)c(cc1Sc2nc(c(o2)c3ccccc3)c4ccccc4)n5cccc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N16 compound treatment 0.54 0.171 6.51 0.513 0.147 5.94 8.8062 0.999 2073016 Maybridge1_006814 OC1=C(C(=O)c2ccccc12)c3ccc(cc3)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N17 compound treatment 0.369 3.12E-4 0.01 0.356 -0.0095 -0.38 -0.2623 -0.6848 1375532 Maybridge1_006815 Nn1c(cc(c(C#N)c1=O)c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N18 compound treatment 0.375 0.00631 0.24 0.369 0.0035 0.14 0.2694 0.9679 1477161 Maybridge1_006816 COc1ccccc1N2CCN(CC2)C(=O)C(C)Nc3ccccn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N19 compound treatment 0.366 -0.00269 -0.1 0.367 0.0015 0.06 -0.0295 -0.2484 2073017 Maybridge1_006817 Fc1ccc(cc1)C(=O)Nc2ccccc2c3nnc(o3)c4ccc(Cl)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N20 compound treatment 0.374 0.00531 0.2 0.372 0.0065 0.26 0.328 0.9917 1368775 Maybridge1_006818 CC1(C)C2CCC1(C)C(C2)NC(=O)C3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N21 compound treatment 0.609 0.24 9.13 0.578 0.212 8.56 12.5124 0.9995 1177559 Maybridge1_006819 CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N22 compound treatment 0.368 -6.88E-4 -0.03 0.378 0.0125 0.5 0.3377 0.6695 2073018 Maybridge1_006820 Cc1cc(cnn1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N23 mock treatment 0.373 0.00431 0.16 0.372 0.0065 0.26 0.3011 0.9745 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 N24 positive control 0.082 -0.287 -10.89 0.085 -0.281 -11.3 -15.6961 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O01 compound treatment 0.324 -0.0447 -1.7 0.321 -0.0445 -1.79 -2.4688 -0.9996 1664938 Maybridge1_006821 Cc1c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3Cl)ccc4C(=O)CC(C)(C)Oc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O02 compound treatment 0.317 -0.0517 -1.96 0.315 -0.0505 -2.03 -2.8278 -0.9998 1466695 Maybridge1_006822 O=C(Cc1ccccc1)N2CCNCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O03 compound treatment 0.35 -0.0187 -0.71 0.344 -0.0215 -0.87 -1.1148 -0.9951 1641395 Maybridge1_006823 COc1cc(ccc1O)C(=O)c2cc(Cl)ccc2N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O04 compound treatment 0.346 -0.0227 -0.86 0.333 -0.0325 -1.31 -1.5357 -0.9794 2073019 Maybridge1_006824 CCc1ccc(NC(=O)/C=C/c2ccc(N3CCC(CC3)c4ccccc4OC)c(c2)[N+](=O)[O-])cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O05 compound treatment 0.331 -0.0377 -1.43 0.325 -0.0405 -1.63 -2.1667 -0.9979 2073020 Maybridge1_006825 [O-][N+](=O)c1cc(Cl)ccc1NCNc2ccc(Cl)cc2[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O06 compound treatment 0.356 -0.0127 -0.48 0.341 -0.0245 -0.99 -1.039 -0.9457 2073021 Maybridge1_006826 CCOC(=O)CSc1cc(c(Cl)cc1[N+](=O)[O-])n2cccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O07 compound treatment 0.339 -0.0297 -1.13 0.333 -0.0325 -1.31 -1.7238 -0.9972 2073022 Maybridge1_006827 OC(=O)C1=CN(C2CCCCC2)c3ccccc3C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O08 compound treatment 0.335 -0.0337 -1.28 0.327 -0.0385 -1.55 -2.0022 -0.9954 2073023 Maybridge1_006828 Cc1ccc(Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)c3CCCc31 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O09 compound treatment 0.364 -0.00469 -0.18 0.354 -0.0115 -0.46 -0.4536 -0.9137 2073024 Maybridge1_006829 COC(=O)C1Cc2c([nH]c3ccccc23)C4(CCN(Cc5ccccc5)CC4)N1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O10 compound treatment 0.372 0.00331 0.13 0.349 -0.0165 -0.66 -0.3811 -0.5632 2073025 Maybridge1_006830 Cc1ccc(OCc2nnc(SCc3c(F)cccc3Cl)n2c4ccccc4)c5CCCc51 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O11 compound treatment 0.379 0.0103 0.39 0.353 -0.0125 -0.5 -0.0791 -0.1239 1454277 Maybridge1_006831 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3cccc(Br)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O12 compound treatment 0.368 -6.88E-4 -0.03 0.355 -0.0105 -0.42 -0.3177 -0.7493 1385820 Maybridge1_006832 Fc1ccc(cc1)C(=O)c2cc3cc(Br)cc(Br)c3o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O13 compound treatment 0.359 -0.00969 -0.37 0.351 -0.0145 -0.58 -0.6735 -0.9752 2073026 Maybridge1_006833 O/N=C/c1ccc2OCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O14 compound treatment 0.361 -0.00769 -0.29 0.365 -5.0E-4 -0.02 -0.2208 -0.7541 1675089 Maybridge1_006834 Cc1cc(Br)c(OCC(=O)NN)c2CCCc21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O15 compound treatment 0.366 -0.00269 -0.1 0.353 -0.0125 -0.5 -0.4284 -0.8335 1565927 Maybridge1_006835 CC(C)(C)c1ccc(cc1)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O16 compound treatment 0.372 0.00331 0.13 0.367 0.0015 0.06 0.1318 0.9435 2073027 Maybridge1_006836 CN(C)/C(=C\1/N=C(OC1=O)c2ccccc2)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O17 compound treatment 0.365 -0.00369 -0.14 0.368 0.0025 0.1 -0.0279 -0.1614 1255675 Maybridge1_006837 O=C(NC1CCN(Cc2c[nH]c3ccccc23)CC1)C4CCCCC4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O18 compound treatment 0.368 -6.88E-4 -0.03 0.362 -0.0035 -0.14 -0.1182 -0.8241 2073028 Maybridge1_006838 Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2Oc3ccc(C)c4CCCc43)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O19 compound treatment 0.366 -0.00269 -0.1 0.37 0.0045 0.18 0.056 0.2691 2073029 Maybridge1_006839 O=C(CSCc1cccc2ccccc12)NNC(=S)Nc3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O20 compound treatment 0.381 0.0123 0.47 0.365 -5.0E-4 -0.02 0.3166 0.676 1028002 Maybridge1_006840 OCCCN1C(=O)c2ccccc2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O21 compound treatment 0.374 0.00531 0.2 0.368 0.0025 0.1 0.214 0.9484 1259711 Maybridge1_006841 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cncc(Br)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O22 compound treatment 0.369 3.12E-4 0.01 0.369 0.0035 0.14 0.1081 0.7639 1036029 Maybridge1_006842 OC(=O)CCC(=O)Nc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O23 mock treatment 0.375 0.00631 0.24 0.366 5.0E-4 0.02 0.1839 0.7638 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 O24 positive control 0.087 -0.282 -10.7 0.087 -0.279 -11.22 -15.5048 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P01 compound treatment 0.335 -0.0337 -1.28 0.323 -0.0425 -1.71 -2.1162 -0.9897 2073030 Maybridge1_006843 Cc1cc(C)c(C(=O)NCCNc2ccc(cc2[N+](=O)[O-])C(F)(F)F)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P02 compound treatment 0.341 -0.0277 -1.05 0.329 -0.0365 -1.47 -1.784 -0.9865 2073031 Maybridge1_006844 O=C(CC(=O)c1ccccn1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P03 compound treatment 0.326 -0.0427 -1.62 0.325 -0.0405 -1.63 -2.3011 -1.0 1673412 Maybridge1_006845 Brc1ccc2OC(=O)C(Cc2c1)C(=O)N3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P04 compound treatment 0.351 -0.0177 -0.67 0.349 -0.0165 -0.66 -0.9454 -1.0 1143576 Maybridge1_006846 Cc1ccc2cc(NC(=O)c3ccccc3)ccc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P05 compound treatment 0.435 0.0663 2.52 0.446 0.0805 3.24 4.0756 0.9922 2073032 Maybridge1_006847 COc1ccc(cc1)S(=O)(=O)NNC(=O)c2ccc(cc2)n3c(C)ccc3C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P06 compound treatment 0.364 -0.00469 -0.18 0.356 -0.0095 -0.38 -0.3967 -0.9394 1150448 Maybridge1_006848 CCc1ccc(cc1)C(=O)Nc2ccc3nc(C)ccc3c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P07 compound treatment 0.435 0.0663 2.52 0.452 0.0865 3.49 4.2466 0.9873 2073033 Maybridge1_006849 COc1ccc(cc1OC)C(=O)NNC(=O)c2ccc(cc2)n3c(C)ccc3C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P08 compound treatment 0.353 -0.0157 -0.6 0.359 -0.0065 -0.26 -0.6067 -0.9318 2073034 Maybridge1_006850 CC(=O)OC[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P09 compound treatment 0.363 -0.00569 -0.22 0.37 0.0045 0.18 -0.0246 -0.0872 1405837 Maybridge1_006851 COc1ccc(Oc2ncccc2NS(=O)(=O)c3ccc(OC)cc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P10 compound treatment 0.64 0.271 10.31 0.602 0.236 9.53 14.0292 0.9992 2073035 Maybridge1_006852 CC(=NNC(=N)NC(=S)Nc1ccccc1)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P11 compound treatment 0.375 0.00631 0.24 0.373 0.0075 0.3 0.3833 0.9935 1637974 Maybridge1_006853 Cc1ccc(C)n1c2ccc(cc2)C(=O)ON3C(=O)CCC3=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P12 compound treatment 0.381 0.0123 0.47 0.375 0.0095 0.38 0.6015 0.995 2073036 Maybridge1_006854 CCCCCCCc1c(O)c2ccccc2[nH]c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P13 compound treatment 0.372 0.00331 0.13 0.37 0.0045 0.18 0.2172 0.9841 2073037 Maybridge1_006855 Cc1cc(Oc2ccccc2)ccc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P14 compound treatment 0.371 0.00231 0.09 0.366 5.0E-4 0.02 0.0764 0.8472 1050525 Maybridge1_006856 CCCC(NC(=O)C(C)N)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P15 compound treatment 0.376 0.00731 0.28 0.378 0.0125 0.5 0.5527 0.9607 1044269 Maybridge1_006857 Cc1nc(O)c([N+](=O)[O-])c(O)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P16 compound treatment 0.385 0.0163 0.62 0.382 0.0165 0.66 0.9085 0.9994 1926183 Maybridge1_006858 O=C1C(C(=O)c2ccccc12)c3cccc4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P17 compound treatment 0.371 0.00231 0.09 0.369 0.0035 0.14 0.1619 0.9741 2073038 Maybridge1_006859 Cc1cc(c(C#N)c(=O)[nH]1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P18 compound treatment 0.364 -0.00469 -0.18 0.37 0.0045 0.18 0.0023 0.0089 1464027 Maybridge1_006860 OC(=O)c1cn(C2CCCCC2)c3ccccc3c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P19 compound treatment 0.373 0.00431 0.16 0.377 0.0115 0.46 0.4436 0.9024 2073039 Maybridge1_006861 O=C(CC#N)NNC(=S)NCC1CCCO1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P20 compound treatment 0.373 0.00431 0.16 0.374 0.0085 0.34 0.3581 0.943 2073040 Maybridge1_006862 CC/1(C)C2CC[C@](C)(C2)\C1=N\OC(=O)c3cccc(c3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P21 compound treatment 0.37 0.00131 0.05 0.372 0.0065 0.26 0.2205 0.8269 1165383 Maybridge1_006863 Cc1cc(N2CCN(CC2)c3nc4cc(Cl)ccc4s3)c5ccccc5n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P22 compound treatment 0.369 3.12E-4 0.01 0.372 0.0065 0.26 0.1936 0.7384 2073041 Maybridge1_006864 NNC(=O)[C@H]1C[C@H]1C(=O)NN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P23 mock treatment 0.372 0.00331 0.13 0.372 0.0065 0.26 0.2742 0.9436 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.560 P24 positive control 0.086 -0.283 -10.74 0.085 -0.281 -11.3 -15.5886 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A01 compound treatment 0.392 0.0242 0.92 0.393 0.0277 1.12 1.4389 0.9954 2073042 Maybridge1_006865 Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A02 compound treatment 0.351 -0.0168 -0.64 0.351 -0.0143 -0.58 -0.8596 -0.9987 2073043 Maybridge1_006866 Cc1nc(SCc2c(F)cccc2Cl)nc(O)c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A03 compound treatment 0.343 -0.0248 -0.94 0.343 -0.0223 -0.9 -1.3025 -0.9997 1208677 Maybridge1_006867 OC(=O)CNC(=O)c1ccccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A04 compound treatment 0.355 -0.0128 -0.49 0.354 -0.0113 -0.46 -0.6666 -0.9995 2073044 Maybridge1_006868 Clc1cc(Cl)cc(NC(=S)NCc2cccs2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A05 compound treatment 0.376 0.00819 0.31 0.374 0.00869 0.35 0.4675 0.9983 2073045 Maybridge1_006869 CC(=O)c1c(C)n(O)c2ccc3nonc3c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A06 compound treatment 0.349 -0.0188 -0.71 0.346 -0.0193 -0.78 -1.0558 -0.9991 2073046 Maybridge1_006870 COCc1cc(O)nc(S)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A07 compound treatment 0.358 -0.00981 -0.37 0.35 -0.0153 -0.62 -0.7 -0.9709 1520977 Maybridge1_006871 CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)NC(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A08 compound treatment 0.353 -0.0148 -0.56 0.349 -0.0163 -0.66 -0.8628 -0.997 2073047 Maybridge1_006872 Cc1cc(Br)ccc1Nc2ncnc(N)n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A09 compound treatment 0.355 -0.0128 -0.49 0.349 -0.0163 -0.66 -0.8091 -0.9891 1307029 Maybridge1_006873 COc1ccccc1CC(=O)NC2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A10 compound treatment 0.361 -0.00681 -0.26 0.36 -0.00531 -0.21 -0.3344 -0.9955 2073048 Maybridge1_006874 Clc1cccc(NC(=S)NNC(=O)C2CC2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A11 compound treatment 0.364 -0.00381 -0.14 0.359 -0.00631 -0.25 -0.2823 -0.9644 2073049 Maybridge1_006875 COc1ccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A12 compound treatment 0.365 -0.00281 -0.11 0.362 -0.00331 -0.13 -0.17 -0.9939 2073050 Maybridge1_006876 COCc1cc(O)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A13 compound treatment 0.357 -0.0108 -0.41 0.356 -0.00931 -0.38 -0.5559 -0.999 1130829 Maybridge1_006877 Clc1cccc(c1Cl)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A14 compound treatment 0.359 -0.00881 -0.33 0.356 -0.00931 -0.38 -0.5022 -0.9984 1698799 Maybridge1_006878 OC(=O)CCNC(=S)Nc1ccc(F)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A15 compound treatment 0.358 -0.00981 -0.37 0.356 -0.00931 -0.38 -0.529 -1.0 1523035 Maybridge1_006879 CC1(C)C2CCC1(C)C(C2)(Nc3ccccc3)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A16 compound treatment 0.355 -0.0128 -0.49 0.352 -0.0133 -0.54 -0.7236 -0.9988 1525521 Maybridge1_006880 Cc1nc(N)nc(O)c1Cc2c(F)cccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A17 compound treatment 0.369 0.00119 0.05 0.365 -3.12E-4 -0.01 0.023 0.491 2073051 Maybridge1_006881 C/C(=C\c1ccccc1[N+](=O)[O-])/c2cc3ccccc3c4ccccc24 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A18 compound treatment 0.356 -0.0118 -0.45 0.356 -0.00931 -0.38 -0.5828 -0.996 2073052 Maybridge1_006882 CSc1nc(C)c(CC(=C)C)c(O)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A19 compound treatment 0.357 -0.0108 -0.41 0.356 -0.00931 -0.38 -0.5559 -0.999 2073053 Maybridge1_006883 N#CCc1nc(cs1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A20 compound treatment 0.498 0.13 4.95 0.5 0.135 5.43 7.336 0.9989 2073054 Maybridge1_006884 CSC(=N)NC(=S)Nc1cccc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A21 compound treatment 0.47 0.102 3.88 0.465 0.0997 4.02 5.5864 0.9999 1067983 Maybridge1_006885 Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A22 compound treatment 0.353 -0.0148 -0.56 0.353 -0.0123 -0.5 -0.7489 -0.998 2073055 Maybridge1_006886 CC(C)(C)/N=C(\NN)/NCC1CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A23 mock treatment 0.363 -0.00481 -0.18 0.365 -3.12E-4 -0.01 -0.1382 -0.754 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 A24 positive control 0.074 -0.294 -11.17 0.072 -0.293 -11.82 -16.2526 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B01 compound treatment 0.367 -8.12E-4 -0.03 0.365 -3.12E-4 -0.01 -0.0307 -0.9218 2073056 Maybridge1_006887 CC(C)(C)C(=O)Cn1nnc(n1)c2cc(Cl)cc(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B02 compound treatment 0.359 -0.00881 -0.33 0.358 -0.00731 -0.29 -0.4452 -0.998 1076487 Maybridge1_006888 COc1ccc(CCN2CSC(=S)N(CCc3ccc(OC)c(OC)c3)C2)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B03 compound treatment 0.35 -0.0178 -0.68 0.348 -0.0173 -0.7 -0.9719 -0.9999 2073057 Maybridge1_006889 NNC(=O)Cn1nnc(n1)c2cccc(c2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B04 compound treatment 0.356 -0.0118 -0.45 0.353 -0.0123 -0.5 -0.6682 -0.9988 1080223 Maybridge1_006890 CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B05 compound treatment 0.373 0.00519 0.2 0.34 -0.0253 -1.02 -0.5819 -0.5601 1668302 Maybridge1_006891 CCCc1cc(=O)oc2cc(OCC(=O)NN)ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B06 compound treatment 0.356 -0.0118 -0.45 0.351 -0.0143 -0.58 -0.7252 -0.9923 2073058 Maybridge1_006892 Cc1cc(C)c(NC(=O)CC2SC(=N)NC2=O)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B07 compound treatment 0.413 0.0452 1.72 0.412 0.0467 1.88 2.5445 0.999 1364298 Maybridge1_006893 COCc1cc(=O)oc2cc(O)c(Cl)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B08 compound treatment 0.382 0.0142 0.54 0.382 0.0167 0.67 0.8567 0.994 2073059 Maybridge1_006894 CCO/C=C/1\SC(=S)N(CCc2ccccc2)C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B09 compound treatment 0.363 -0.00481 -0.18 0.362 -0.00331 -0.13 -0.2237 -0.988 2073060 Maybridge1_006895 NNC(=S)Nc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B10 compound treatment 0.356 -0.0118 -0.45 0.359 -0.00631 -0.25 -0.4973 -0.9638 2073061 Maybridge1_006896 [O-][N+](=O)/C=C/c1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B11 compound treatment 0.36 -0.00781 -0.3 0.362 -0.00331 -0.13 -0.3043 -0.9349 2073062 Maybridge1_006897 Sc1nc2ccccc2[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B12 compound treatment 0.362 -0.00581 -0.22 0.362 -0.00331 -0.13 -0.2506 -0.9709 1275541 Maybridge1_006898 CC(N1CSC(=S)N(C1)C(C)c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B13 compound treatment 0.355 -0.0128 -0.49 0.356 -0.00931 -0.38 -0.6096 -0.9917 2073063 Maybridge1_006899 Cc1cccc(Cl)c1NC(=S)NN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B14 compound treatment 0.355 -0.0128 -0.49 0.348 -0.0173 -0.7 -0.8376 -0.9845 2073064 Maybridge1_006900 Clc1ccc(/N=C\2/NCCS2)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B15 compound treatment 0.357 -0.0108 -0.41 0.352 -0.0133 -0.54 -0.6699 -0.9913 2073065 Maybridge1_006901 N/C(=N\O)/Cc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B16 compound treatment 0.35 -0.0178 -0.68 0.348 -0.0173 -0.7 -0.9719 -0.9999 1683503 Maybridge1_006902 CCc1ccccc1Nc2nnc(S)s2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B17 compound treatment 0.35 -0.0178 -0.68 0.348 -0.0173 -0.7 -0.9719 -0.9999 2073066 Maybridge1_006903 Cc1ccc(/C=C/[N+](=O)[O-])cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B18 compound treatment 0.357 -0.0108 -0.41 0.356 -0.00931 -0.38 -0.5559 -0.999 1671035 Maybridge1_006904 Cc1cccc(NCN2C(=O)c3ccccc3C2=O)c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B19 compound treatment 0.344 -0.0238 -0.9 0.349 -0.0163 -0.66 -1.1047 -0.9877 2073067 Maybridge1_006905 CCN(CC)c1ccc(/C=C/2\N=C(OC2=O)c3ccccc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B20 compound treatment 0.468 0.1 3.81 0.465 0.0997 4.02 5.5326 0.9996 2073068 Maybridge1_006906 Oc1c(Cl)cc(Cl)cc1/C=N/c2ccc(Cl)cn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B21 compound treatment 0.514 0.146 5.56 0.521 0.156 6.27 8.3643 0.9982 1074249 Maybridge1_006907 CC1CCN(CC1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B22 compound treatment 0.31 -0.0578 -2.2 0.311 -0.0543 -2.19 -3.1011 -1.0 2073069 Maybridge1_006908 [O-][N+](=O)/C=C/c1ccccc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B23 mock treatment 0.363 -0.00481 -0.18 0.363 -0.00231 -0.09 -0.1952 -0.9511 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 B24 positive control 0.072 -0.296 -11.24 0.071 -0.294 -11.86 -16.3349 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C01 compound treatment 0.367 -8.12E-4 -0.03 0.367 0.00169 0.07 0.0263 0.3515 1464302 Maybridge1_006909 CC(NCc1ccccc1)C2CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C02 compound treatment 0.351 -0.0168 -0.64 0.348 -0.0173 -0.7 -0.9451 -0.999 2073070 Maybridge1_006910 C1CCN(CC1)c2nn[nH]n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C03 compound treatment 0.351 -0.0168 -0.64 0.343 -0.0223 -0.9 -1.0875 -0.986 2073071 Maybridge1_006911 CC(C)(C)c1cc([N+](=O)[O-])c2cc(cc([N+](=O)[O-])c2c1)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C04 compound treatment 0.349 -0.0188 -0.71 0.344 -0.0213 -0.86 -1.1128 -0.9958 1313220 Maybridge1_006912 Cc1cc(Nc2ccc(F)c(Cl)c2)nc(N)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C05 compound treatment 0.344 -0.0238 -0.9 0.344 -0.0213 -0.86 -1.2471 -0.9997 1497623 Maybridge1_006913 CCOC(=O)c1c(C)n(OC)c2ccc3nonc3c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C06 compound treatment 0.357 -0.0108 -0.41 0.351 -0.0143 -0.58 -0.6984 -0.9862 2073072 Maybridge1_006914 COCc1cc(O)nc(SC)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C07 compound treatment 0.359 -0.00881 -0.33 0.357 -0.00831 -0.33 -0.4737 -1.0 1260724 Maybridge1_006915 Clc1ccc(cc1)C(=O)N2CCC(CC2)NC(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C08 compound treatment 0.361 -0.00681 -0.26 0.355 -0.0103 -0.42 -0.4769 -0.9741 1030238 Maybridge1_006916 NC(=N)NC(=N)Nc1ccccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C09 compound treatment 0.356 -0.0118 -0.45 0.357 -0.00831 -0.33 -0.5543 -0.9896 1394196 Maybridge1_006917 O=C(NC1CCN(Cc2ccccc2)CC1)c3ccco3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C10 compound treatment 0.363 -0.00481 -0.18 0.36 -0.00531 -0.21 -0.2807 -0.9969 1117027 Maybridge1_006918 NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C11 compound treatment 0.359 -0.00881 -0.33 0.357 -0.00831 -0.33 -0.4737 -1.0 1778921 Maybridge1_006919 [O-][N+](=O)c1ccc(cc1)C(=O)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C12 compound treatment 0.356 -0.0118 -0.45 0.349 -0.0163 -0.66 -0.7822 -0.9827 2073073 Maybridge1_006920 NC(=N)NC(=N)Nc1ccccc1C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C13 compound treatment 0.364 -0.00381 -0.14 0.355 -0.0103 -0.42 -0.3963 -0.9005 1216085 Maybridge1_006921 O=C(Cc1ccccc1)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C14 compound treatment 0.359 -0.00881 -0.33 0.357 -0.00831 -0.33 -0.4737 -1.0 1324187 Maybridge1_006922 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(F)cc2F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C15 compound treatment 0.356 -0.0118 -0.45 0.353 -0.0123 -0.5 -0.6682 -0.9988 2073074 Maybridge1_006923 COC(=O)C1C(=O)CC(=O)CC1(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C16 compound treatment 0.356 -0.0118 -0.45 0.353 -0.0123 -0.5 -0.6682 -0.9988 2073075 Maybridge1_006924 NC(=N)NC(=N)Nc1ccc2OCCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C17 compound treatment 0.358 -0.00981 -0.37 0.353 -0.0123 -0.5 -0.6145 -0.9901 2073076 Maybridge1_006925 CC(=O)[C@@H]1[C@H]([C@H](C(=O)C)[C@](C)(O)CC1=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C18 compound treatment 0.355 -0.0128 -0.49 0.356 -0.00931 -0.38 -0.6096 -0.9917 1617897 Maybridge1_006926 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)on2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C19 compound treatment 0.36 -0.00781 -0.3 0.355 -0.0103 -0.42 -0.5038 -0.9864 1006315 Maybridge1_006927 OC(=O)C(c1ccccc1)(c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C20 compound treatment 0.36 -0.00781 -0.3 0.356 -0.00931 -0.38 -0.4753 -0.9933 2073077 Maybridge1_006928 FC(F)(F)c1ccccc1c2nnn[nH]2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C21 compound treatment 0.358 -0.00981 -0.37 0.357 -0.00831 -0.33 -0.5005 -0.9986 2073078 Maybridge1_006929 NC(=N)NC(=N)Nc1ccc(F)cc1F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C22 compound treatment 0.355 -0.0128 -0.49 0.353 -0.0123 -0.5 -0.6951 -1.0 2073079 Maybridge1_006930 S=C(NCC1CC1)NCC2CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C23 mock treatment 0.364 -0.00381 -0.14 0.358 -0.00731 -0.29 -0.3108 -0.9465 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 C24 positive control 0.075 -0.293 -11.13 0.072 -0.293 -11.82 -16.2258 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D01 compound treatment 0.368 1.88E-4 0.01 0.36 -0.00531 -0.21 -0.1463 -0.6832 1361400 Maybridge1_006931 Nc1ncnc(Nc2cccc(C#N)c2)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D02 compound treatment 0.35 -0.0178 -0.68 0.346 -0.0193 -0.78 -1.0289 -0.9976 1076055 Maybridge1_006932 CCOc1ccc(C=C(C#N)C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D03 compound treatment 0.347 -0.0208 -0.79 0.343 -0.0223 -0.9 -1.195 -0.998 2073080 Maybridge1_006933 CCCc1cc(O)nc(SCc2c(Cl)cccc2Cl)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D04 compound treatment 0.342 -0.0258 -0.98 0.342 -0.0233 -0.94 -1.3579 -0.9998 2073081 Maybridge1_006934 COc1ccc(CCN2C(=O)/C(=C/c3c(F)c(F)c(F)c(F)c3F)/SC2=S)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D05 compound treatment 0.352 -0.0158 -0.6 0.346 -0.0193 -0.78 -0.9752 -0.9918 2073082 Maybridge1_006935 CCCc1cc(O)nc(NC(=N)Nc2cc(Cl)cc(Cl)c2)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D06 compound treatment 0.331 -0.0368 -1.4 0.322 -0.0433 -1.75 -2.2233 -0.994 1351539 Maybridge1_006936 O=C1Nc2ccccc2C1(C3C(=O)NC(=O)NC3=O)C4C(=O)NC(=O)NC4=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D07 compound treatment 0.351 -0.0168 -0.64 0.35 -0.0153 -0.62 -0.8881 -0.9998 2073083 Maybridge1_006937 Clc1cccc(c2nnn[nH]2)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D08 compound treatment 0.379 0.0112 0.43 0.379 0.0137 0.55 0.6906 0.9917 2073084 Maybridge1_006938 Clc1cccc(Cl)c1NC(=S)NC(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D09 compound treatment 0.383 0.0152 0.58 0.378 0.0127 0.51 0.7696 0.9982 1603314 Maybridge1_006939 Fc1ccc(NC(=S)NC2CCCCCCCCCCC2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D10 compound treatment 0.364 -0.00381 -0.14 0.357 -0.00831 -0.33 -0.3393 -0.9297 1023877 Maybridge1_006940 CC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D11 compound treatment 0.346 -0.0218 -0.83 0.344 -0.0213 -0.86 -1.1934 -0.9998 2073085 Maybridge1_006941 Fc1ccccc1Nc2nnc(S)s2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D12 compound treatment 0.353 -0.0148 -0.56 0.35 -0.0153 -0.62 -0.8343 -0.9989 2073086 Maybridge1_006942 NNC(=S)NCCCN1CCOCC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D13 compound treatment 0.354 -0.0138 -0.52 0.358 -0.00731 -0.29 -0.5795 -0.9627 1065962 Maybridge1_006943 NNC(=S)Nc1cccc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D14 compound treatment 0.355 -0.0128 -0.49 0.353 -0.0123 -0.5 -0.6951 -1.0 2073087 Maybridge1_006944 Clc1cccc(NC2=NCCS2)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D15 compound treatment 0.352 -0.0158 -0.6 0.354 -0.0113 -0.46 -0.7472 -0.9907 1014454 Maybridge1_006945 O=c1oc(nc2ccccc12)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D16 compound treatment 0.464 0.0962 3.66 0.485 0.12 4.82 5.995 0.9906 2073088 Maybridge1_006946 CCOc1ccc(/C=C(\C)/[N+](=O)[O-])cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D17 compound treatment 0.354 -0.0138 -0.52 0.354 -0.0113 -0.46 -0.6935 -0.9975 1037879 Maybridge1_006947 NC(=N)SCc1ccccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D18 compound treatment 0.354 -0.0138 -0.52 0.359 -0.00631 -0.25 -0.551 -0.9447 2073089 Maybridge1_006948 CSc1cccc(NC(=S)NCc2cccnc2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D19 compound treatment 0.362 -0.00581 -0.22 0.359 -0.00631 -0.25 -0.3361 -0.9975 2073090 Maybridge1_006949 CCN(CC)c1ccc(/C=N/N=C/c2ccc(cc2)N(CC)CC)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D20 compound treatment 0.358 -0.00981 -0.37 0.381 0.0157 0.63 0.1833 0.2498 2073091 Maybridge1_006950 Oc1ccccc1/C=N/c2ccc(Cl)cn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D21 compound treatment 0.361 -0.00681 -0.26 0.358 -0.00731 -0.29 -0.3914 -0.9979 1039360 Maybridge1_006951 CN(C)C(=S)Nc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D22 compound treatment 0.426 0.0582 2.21 0.423 0.0577 2.32 3.2073 0.9997 2073092 Maybridge1_006952 CC(=O)Nc1ccc(cc1)C2=N/C(=C\c3cccs3)/C(=O)O2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D23 mock treatment 0.364 -0.00381 -0.14 0.364 -0.00131 -0.05 -0.1398 -0.9067 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 D24 positive control 0.075 -0.293 -11.13 0.073 -0.292 -11.78 -16.1973 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E01 compound treatment 0.371 0.00319 0.12 0.366 6.88E-4 0.03 0.1052 0.847 1005170 Maybridge1_006953 OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E02 compound treatment 0.349 -0.0188 -0.71 0.348 -0.0173 -0.7 -0.9988 -0.9999 1402665 Maybridge1_006954 Clc1ccc(cc1)C(=O)Cn2nnc(n2)N3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E03 compound treatment 0.352 -0.0158 -0.6 0.351 -0.0143 -0.58 -0.8327 -0.9998 1077391 Maybridge1_006955 COc1cc(CC#N)c(OC)cc1CC#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E04 compound treatment 0.372 0.00419 0.16 0.353 -0.0123 -0.5 -0.2383 -0.4574 1322296 Maybridge1_006956 Cc1cc(Nc2ccc(F)cc2F)nc(N)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E05 compound treatment 0.341 -0.0268 -1.02 0.335 -0.0303 -1.22 -1.5842 -0.9959 2073093 Maybridge1_006957 CCCCCCCCCCCCC/1CCCC\C1=N\O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E06 compound treatment 0.365 -0.00281 -0.11 0.359 -0.00631 -0.25 -0.2554 -0.9258 1256576 Maybridge1_006958 Cc1cc(C)c(N=c2oc(cs2)C(C)(C)C)cc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E07 compound treatment 0.371 0.00319 0.12 0.355 -0.0103 -0.42 -0.2082 -0.481 1456979 Maybridge1_006959 Brc1ccccc1C(=O)N2CCC(CC2)NC(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E08 compound treatment 0.373 0.00519 0.2 0.364 -0.00131 -0.05 0.102 0.4997 2073094 Maybridge1_006960 NC(=N)NC(=N)Nc1ccc(F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E09 compound treatment 0.366 -0.00181 -0.07 0.346 -0.0193 -0.78 -0.599 -0.7667 1736885 Maybridge1_006961 Clc1ccc(cc1)S(=O)(=O)NC2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E10 compound treatment 0.366 -0.00181 -0.07 0.365 -3.12E-4 -0.01 -0.0576 -0.8227 2073095 Maybridge1_006962 NC(=N)NC(=N)Nc1ccc(I)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E11 compound treatment 0.364 -0.00381 -0.14 0.36 -0.00531 -0.21 -0.2538 -0.9819 1670579 Maybridge1_006963 Clc1ccc(cc1)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E12 compound treatment 0.358 -0.00981 -0.37 0.361 -0.00431 -0.17 -0.3866 -0.9396 2073096 Maybridge1_006964 COCc1cc(O)nc(N)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E13 compound treatment 0.367 -8.12E-4 -0.03 0.361 -0.00431 -0.17 -0.1447 -0.8199 2073097 Maybridge1_006965 CC(C)(C)NS(=O)(=O)NC(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E14 compound treatment 0.362 -0.00581 -0.22 0.352 -0.0133 -0.54 -0.5355 -0.9231 2073098 Maybridge1_006966 OC(=O)CCNC(=S)Nc1cccc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E15 compound treatment 0.343 -0.0248 -0.94 0.337 -0.0283 -1.14 -1.4735 -0.9955 2073099 Maybridge1_006967 S(c1c(nc2sccn12)c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E16 compound treatment 0.365 -0.00281 -0.11 0.365 -3.12E-4 -0.01 -0.0845 -0.785 2073100 Maybridge1_006968 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nn[nH]n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E17 compound treatment 0.364 -0.00381 -0.14 0.366 6.88E-4 0.03 -0.0829 -0.5617 2073101 Maybridge1_006969 O=C1c2ccccc2-c3ccc4ccccc4c13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E18 compound treatment 0.366 -0.00181 -0.07 0.364 -0.00131 -0.05 -0.0861 -0.9915 2073102 Maybridge1_006970 Cc1cc(NC(=N)NC(=N)N)no1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E19 compound treatment 0.367 -8.12E-4 -0.03 0.365 -3.12E-4 -0.01 -0.0307 -0.9218 2073103 Maybridge1_006971 CC(=O)OC[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](CNC(=O)c1ccc(C)c(C)c1)OC(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E20 compound treatment 0.366 -0.00181 -0.07 0.366 6.88E-4 0.03 -0.0291 -0.3922 2073104 Maybridge1_006972 CCOC(=N)c1ccc(C)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E21 compound treatment 0.368 1.88E-4 0.01 0.368 0.00269 0.11 0.0816 0.752 2073105 Maybridge1_006973 NC(=N)NC(=N)Nc1ccc(F)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E22 compound treatment 0.356 -0.0118 -0.45 0.355 -0.0103 -0.42 -0.6113 -0.9993 2073106 Maybridge1_006974 Fc1ccc(NC(=S)NCCNC(=S)Nc2ccc(F)cc2F)c(F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E23 mock treatment 0.366 -0.00181 -0.07 0.366 6.88E-4 0.03 -0.0291 -0.3922 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 E24 positive control 0.078 -0.29 -11.01 0.074 -0.291 -11.74 -16.0882 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F01 compound treatment 0.37 0.00219 0.08 0.365 -3.12E-4 -0.01 0.0499 0.5932 1107832 Maybridge1_006975 CC1(C)CC2(C)OC(=O)c3ccccc3N2C(=S)N1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F02 compound treatment 0.415 0.0472 1.79 0.412 0.0467 1.88 2.5983 0.9997 1921381 Maybridge1_006976 CCOc1ccc(/C=C/[N+](=O)[O-])cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F03 compound treatment 0.355 -0.0128 -0.49 0.345 -0.0203 -0.82 -0.9231 -0.9692 1536659 Maybridge1_006977 CCCc1cc(=O)oc2cc(O)ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F04 compound treatment 0.372 0.00419 0.16 0.365 -3.12E-4 -0.01 0.1036 0.6491 2073107 Maybridge1_006978 Nc1ccccc1SC(CC(=O)c2ccccc2)c3ccc(cc3)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F05 compound treatment 0.338 -0.0298 -1.13 0.341 -0.0243 -0.98 -1.4938 -0.9974 1061990 Maybridge1_006979 Nc1nc(N)nc(n1)c2ccccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F06 compound treatment 0.375 0.00719 0.27 0.379 0.0137 0.55 0.5831 0.9475 1497584 Maybridge1_006980 CC(C)c1ccc(cc1)N2CSC(=S)N(C2)c3ccc(cc3)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F07 compound treatment 0.353 -0.0148 -0.56 0.347 -0.0183 -0.74 -0.9198 -0.9911 2073108 Maybridge1_006981 Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F08 compound treatment 0.344 -0.0238 -0.9 0.35 -0.0153 -0.62 -1.0762 -0.9826 2073109 Maybridge1_006982 Cc1cc(C)c(NC(=S)N)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F09 compound treatment 0.346 -0.0218 -0.83 0.348 -0.0173 -0.7 -1.0794 -0.9963 2073110 Maybridge1_006983 COc1cc(/C=N/C2CCCCCCCCCCC2)ccc1OCc3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F10 compound treatment 0.354 -0.0138 -0.52 0.354 -0.0113 -0.46 -0.6935 -0.9975 1211869 Maybridge1_006984 Cc1cc(NC(=O)CCC(=O)O)no1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F11 compound treatment 0.326 -0.0418 -1.59 0.324 -0.0413 -1.66 -2.3007 -0.9997 2073111 Maybridge1_006985 COc1ccccc1Nc2nnc(S)s2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F12 compound treatment 0.349 -0.0188 -0.71 0.343 -0.0223 -0.9 -1.1413 -0.9935 2073112 Maybridge1_006986 C/C(=C\c1ccccc1Cl)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F13 compound treatment 0.363 -0.00481 -0.18 0.356 -0.00931 -0.38 -0.3947 -0.9454 1119197 Maybridge1_006987 Cc1ccc(Cl)cc1NC(=S)NCCO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F14 compound treatment 0.357 -0.0108 -0.41 0.363 -0.00231 -0.09 -0.3564 -0.846 2073113 Maybridge1_006988 COc1ccc(CC/N=C/c2cc(Br)ccc2O)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F15 compound treatment 0.389 0.0212 0.81 0.384 0.0187 0.75 1.1018 0.9994 2073114 Maybridge1_006989 O=C/1OC(=N\C1=C/c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F16 compound treatment 0.354 -0.0138 -0.52 0.35 -0.0153 -0.62 -0.8075 -0.9968 2073115 Maybridge1_006990 C/C(=C\c1cccc(c1)[N+](=O)[O-])/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F17 compound treatment 0.35 -0.0178 -0.68 0.338 -0.0273 -1.1 -1.2569 -0.9727 1018868 Maybridge1_006991 NC(=N)SCc1ccc(Cl)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F18 compound treatment 0.371 0.00319 0.12 0.362 -0.00331 -0.13 -0.0087 -0.0485 2073116 Maybridge1_006992 Cc1cc(C)cc(/N=C/c2cc(Br)ccc2O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F19 compound treatment 0.346 -0.0218 -0.83 0.344 -0.0213 -0.86 -1.1934 -0.9998 2073117 Maybridge1_006993 NC(=N)SCc1cccc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F20 compound treatment 0.357 -0.0108 -0.41 0.354 -0.0113 -0.46 -0.6129 -0.9987 2073118 Maybridge1_006994 Oc1ccccc1/C=N/c2ccccc2SCCC#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F21 compound treatment 0.368 1.88E-4 0.01 0.366 6.88E-4 0.03 0.0246 0.8609 1071877 Maybridge1_006995 COc1ccc(NC(=S)Nc2ccccn2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F22 compound treatment 0.359 -0.00881 -0.33 0.358 -0.00731 -0.29 -0.4452 -0.998 1111249 Maybridge1_006996 O=C1N(Nc2ccccc2)C(=O)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F23 mock treatment 0.358 -0.00981 -0.37 0.359 -0.00631 -0.25 -0.4435 -0.9826 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 F24 positive control 0.074 -0.294 -11.17 0.073 -0.292 -11.78 -16.2242 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G01 compound treatment 0.374 0.00619 0.24 0.37 0.00469 0.19 0.2998 0.9941 1219183 Maybridge1_006997 O=c1c(C#N)c2[nH]c3ccccc3n2c4ccccc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G02 compound treatment 0.343 -0.0248 -0.94 0.348 -0.0173 -0.7 -1.16 -0.989 1370310 Maybridge1_006998 CCOC(=O)Cn1nnc(n1)N2CCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G03 compound treatment 0.347 -0.0208 -0.79 0.346 -0.0193 -0.78 -1.1095 -1.0 1983575 Maybridge1_006999 Nc1oc(c(c1C#N)c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G04 compound treatment 0.345 -0.0228 -0.87 0.347 -0.0183 -0.74 -1.1348 -0.9968 1449956 Maybridge1_007000 Cc1cc(O)nc(NC(=O)C2CC2)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G05 compound treatment 0.346 -0.0218 -0.83 0.368 0.00269 0.11 -0.5095 -0.6095 2073119 Maybridge1_007001 CCCCCCCCCCCCCCCCC/1CCCC\C1=N\O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G06 compound treatment 0.347 -0.0208 -0.79 0.348 -0.0173 -0.7 -1.0526 -0.998 2073120 Maybridge1_007002 NC(=N)NC(=N)Nc1c(F)cccc1F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G07 compound treatment 0.389 0.0212 0.81 0.386 0.0207 0.83 1.1588 0.9998 1337485 Maybridge1_007003 COc1ccccc1C2CCN(CC2)C(=O)c3ccc(cc3)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G08 compound treatment 0.359 -0.00881 -0.33 0.347 -0.0183 -0.74 -0.7586 -0.9361 1013598 Maybridge1_007004 NC(=N)NC(=N)Nc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G09 compound treatment 0.362 -0.00581 -0.22 0.367 0.00169 0.07 -0.1081 -0.4678 1439324 Maybridge1_007005 CCOC(=O)c1ccc(NC(=O)CCCN2CCN(Cc3ccccc3)CC2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G10 compound treatment 0.36 -0.00781 -0.3 0.358 -0.00731 -0.29 -0.4183 -1.0 2073121 Maybridge1_007006 Cc1ccc(NC(=N)NC(=N)N)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G11 compound treatment 0.351 -0.0168 -0.64 0.359 -0.00631 -0.25 -0.6316 -0.9185 1390951 Maybridge1_007007 Cc1ccc(cc1)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G12 compound treatment 0.355 -0.0128 -0.49 0.359 -0.00631 -0.25 -0.5242 -0.9542 2073122 Maybridge1_007008 NC(=N)NC(=N)Nc1cccc(F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G13 compound treatment 0.366 -0.00181 -0.07 0.371 0.00569 0.23 0.1134 0.4737 2073123 Maybridge1_007009 CC1(O)CCCCCCCCCCC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G14 compound treatment 0.342 -0.0258 -0.98 0.351 -0.0143 -0.58 -1.1014 -0.9679 1600021 Maybridge1_007010 CC(C)(C)c1ccc(NC(=S)NCCC(=O)O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G15 compound treatment 0.353 -0.0148 -0.56 0.361 -0.00431 -0.17 -0.5209 -0.8842 2073124 Maybridge1_007011 NC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G16 compound treatment 0.35 -0.0178 -0.68 0.366 6.88E-4 0.03 -0.459 -0.6776 1700634 Maybridge1_007012 Clc1cc(Cl)cc(Nc2ncnc(n2)n3cccc3)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G17 compound treatment 0.36 -0.00781 -0.3 0.358 -0.00731 -0.29 -0.4183 -1.0 2073125 Maybridge1_007013 Cc1ccc(Oc2ccc(C)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G18 compound treatment 0.357 -0.0108 -0.41 0.361 -0.00431 -0.17 -0.4134 -0.9267 2073126 Maybridge1_007014 COc1ccccc1N/2C(=O)CS\C2=N/N=C/c3ccccc3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G19 compound treatment 0.364 -0.00381 -0.14 0.381 0.0157 0.63 0.3446 0.5313 2073127 Maybridge1_007015 CCOc1c(C)nc(C)c(OCC)c1c2cccc(c2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G20 compound treatment 0.364 -0.00381 -0.14 0.36 -0.00531 -0.21 -0.2538 -0.9819 2073128 Maybridge1_007016 Cc1ccc(cc1Cl)c2nn[nH]n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G21 compound treatment 0.444 0.0762 2.9 0.443 0.0777 3.13 4.2609 0.9992 1103787 Maybridge1_007017 Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G22 compound treatment 0.352 -0.0158 -0.6 0.35 -0.0153 -0.62 -0.8612 -0.9999 2073129 Maybridge1_007018 Clc1cccc(NC(=S)NCCNC(=S)Nc2cccc(Cl)c2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G23 mock treatment 0.368 1.88E-4 0.01 0.371 0.00569 0.23 0.1671 0.7287 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 G24 positive control 0.076 -0.292 -11.09 0.074 -0.291 -11.74 -16.1419 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H01 compound treatment 0.37 0.00219 0.08 0.366 6.88E-4 0.03 0.0784 0.8944 1037188 Maybridge1_007019 CCc1cc(O)nc(S)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H02 compound treatment 0.138 -0.23 -8.73 0.13 -0.235 -9.48 -12.8803 -0.9992 1080220 Maybridge1_007020 CCc1cccc(CC)c1N2C(=O)C=CC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H03 compound treatment 0.362 -0.00581 -0.22 0.35 -0.0153 -0.62 -0.5925 -0.9041 2073130 Maybridge1_007021 CCCC1=NNC(=O)C1Cc2c(F)cccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H04 compound treatment 0.13 -0.238 -9.04 0.121 -0.244 -9.84 -13.3517 -0.9991 2073131 Maybridge1_007022 Clc1ccc(N2C(=O)C=CC2=O)c(Br)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H05 compound treatment 0.357 -0.0108 -0.41 0.351 -0.0143 -0.58 -0.6984 -0.9862 1486875 Maybridge1_007023 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H06 compound treatment 0.359 -0.00881 -0.33 0.36 -0.00531 -0.21 -0.3882 -0.9766 2073132 Maybridge1_007024 CC(C)c1ccc(NC(=O)/C=C/C(=O)O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H07 compound treatment 0.365 -0.00281 -0.11 0.372 0.00669 0.27 0.115 0.3966 2073133 Maybridge1_007025 Nc1ccc(cc1)S(=O)(=O)Nc2cc(F)ccc2F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H08 compound treatment 0.37 0.00219 0.08 0.356 -0.00931 -0.38 -0.2066 -0.5374 1250169 Maybridge1_007026 COc1ccc(CCn2c(=O)c3cc4c(=O)n(CCc5ccc(OC)c(OC)c5)c(=O)c4cc3c2=O)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H09 compound treatment 0.368 1.88E-4 0.01 0.362 -0.00331 -0.13 -0.0893 -0.6684 1033953 Maybridge1_007027 O=C(CN1C(=O)c2ccccc2C1=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H10 compound treatment 0.388 0.0202 0.77 0.38 0.0147 0.59 0.961 0.9918 2073134 Maybridge1_007028 Clc1cc(NC(=S)NC(=O)c2ccccc2)ccc1Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H11 compound treatment 0.363 -0.00481 -0.18 0.356 -0.00931 -0.38 -0.3947 -0.9454 1006142 Maybridge1_007029 NC(=O)c1ccccc1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H12 compound treatment 0.371 0.00319 0.12 0.365 -3.12E-4 -0.01 0.0767 0.6302 2073135 Maybridge1_007030 C/C(=C/c1cccc2ccccc12)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H13 compound treatment 0.353 -0.0148 -0.56 0.362 -0.00331 -0.13 -0.4924 -0.8512 1594746 Maybridge1_007031 OCCNC(=S)NCc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H14 compound treatment 0.363 -0.00481 -0.18 0.357 -0.00831 -0.33 -0.3662 -0.9595 2073136 Maybridge1_007032 Sc1nc2cc(Cl)ccc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H15 compound treatment 0.353 -0.0148 -0.56 0.354 -0.0113 -0.46 -0.7204 -0.9945 1113880 Maybridge1_007033 CCOc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H16 compound treatment 0.355 -0.0128 -0.49 0.359 -0.00631 -0.25 -0.5242 -0.9542 2073137 Maybridge1_007034 C/C(=C\c1ccccc1[N+](=O)[O-])/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H17 compound treatment 0.369 0.00119 0.05 0.362 -0.00331 -0.13 -0.0625 -0.4434 1166307 Maybridge1_007035 Cc1ccc(NC(=S)NCCO)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H18 compound treatment 0.369 0.00119 0.05 0.367 0.00169 0.07 0.08 0.9802 1606002 Maybridge1_007036 O=C1N(CNc2ccc(cc2)N3CCOCC3)C(=O)c4ccccc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H19 compound treatment 0.36 -0.00781 -0.3 0.362 -0.00331 -0.13 -0.3043 -0.9349 1653424 Maybridge1_007037 O=C1N(CNc2ccc(Oc3ccccc3)cc2)C(=O)c4ccccc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H20 compound treatment 0.365 -0.00281 -0.11 0.363 -0.00231 -0.09 -0.1415 -0.9977 2073138 Maybridge1_007038 Cc1cc(Br)ccc1NC(=S)Nc2ccc3ccccc3c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H21 compound treatment 0.362 -0.00581 -0.22 0.361 -0.00431 -0.17 -0.2791 -0.993 2073139 Maybridge1_007039 COc1ccc(Br)cc1/C=C/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H22 compound treatment 0.369 0.00119 0.05 0.369 0.00369 0.15 0.137 0.8821 2073140 Maybridge1_007040 Cn1nc(O)c2ccccc2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H23 mock treatment 0.375 0.00719 0.27 0.375 0.00969 0.39 0.4692 0.9847 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 H24 positive control 0.078 -0.29 -11.01 0.075 -0.29 -11.7 -16.0597 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I01 compound treatment 0.365 -0.00281 -0.11 0.363 -0.00231 -0.09 -0.1415 -0.9977 1774525 Maybridge1_007041 OC(CNCc1ccccc1)c2ccc(cc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I02 compound treatment 0.347 -0.0208 -0.79 0.345 -0.0203 -0.82 -1.138 -0.9999 1332598 Maybridge1_007042 O=C(Cn1nnc(n1)N2CCCCC2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I03 compound treatment 0.36 -0.00781 -0.3 0.353 -0.0123 -0.5 -0.5608 -0.9699 2073141 Maybridge1_007043 OC(=O)c1ccc(o1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I04 compound treatment 0.352 -0.0158 -0.6 0.35 -0.0153 -0.62 -0.8612 -0.9999 2073142 Maybridge1_007044 Cc1nc(SCC(=O)C(C)(C)C)nc(O)c1CC=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I05 compound treatment 0.364 -0.00381 -0.14 0.37 0.00469 0.19 0.0311 0.1307 1277061 Maybridge1_007045 COC(=O)c1ccccc1Sc2c(nc3ccccn23)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I06 compound treatment 0.357 -0.0108 -0.41 0.348 -0.0173 -0.7 -0.7838 -0.9681 2073143 Maybridge1_007046 CSc1ccccc1NC(=N)NC(=N)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I07 compound treatment 0.372 0.00419 0.16 0.371 0.00569 0.23 0.2746 0.9841 1211026 Maybridge1_007047 O=C(NC1CCN(Cc2ccccc2)CC1)C3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I08 compound treatment 0.377 0.00919 0.35 0.379 0.0137 0.55 0.6369 0.9757 2073144 Maybridge1_007048 NC(=N)NC(=N)Nc1nc(cs1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I09 compound treatment 0.376 0.00819 0.31 0.376 0.0107 0.43 0.5245 0.9873 1402258 Maybridge1_007049 COc1ccc(CCNC(=O)c2ccccc2Br)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I10 compound treatment 0.393 0.0252 0.96 0.391 0.0257 1.04 1.4088 0.9992 1202989 Maybridge1_007050 Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I11 compound treatment 0.379 0.0112 0.43 0.378 0.0127 0.51 0.6621 0.9958 2073145 Maybridge1_007051 FC(F)(F)c1cc(cc(c1)S(=O)(=O)N2CCN(Cc3ccccc3)CC2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I12 compound treatment 0.355 -0.0128 -0.49 0.353 -0.0123 -0.5 -0.6951 -1.0 2073146 Maybridge1_007052 NC(=N)NC(=N)Nc1ccc(Cl)cc1C(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I13 compound treatment 0.353 -0.0148 -0.56 0.352 -0.0133 -0.54 -0.7774 -0.9997 2073147 Maybridge1_007053 CC(C)(C)n1nn[nH]c1=S 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I14 compound treatment 0.368 1.88E-4 0.01 0.369 0.00369 0.15 0.1101 0.7402 2073148 Maybridge1_007054 OC(=O)CCNC(=S)Nc1ccccc1C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I15 compound treatment 0.364 -0.00381 -0.14 0.354 -0.0113 -0.46 -0.4248 -0.8881 2073149 Maybridge1_007055 CCCCCSc1nnc[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I16 compound treatment 0.359 -0.00881 -0.33 0.359 -0.00631 -0.25 -0.4167 -0.9908 2073150 Maybridge1_007056 Clc1ccccc1Nc2ncnc(n2)n3cccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I17 compound treatment 0.361 -0.00681 -0.26 0.362 -0.00331 -0.13 -0.2774 -0.9525 1071543 Maybridge1_007057 c1cc2cc3ccccc3cc2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I18 compound treatment 0.364 -0.00381 -0.14 0.364 -0.00131 -0.05 -0.1398 -0.9067 2073151 Maybridge1_007058 CCCCc1c(O)nc(S)nc1COC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I19 compound treatment 0.371 0.00319 0.12 0.37 0.00469 0.19 0.2192 0.9769 2073152 Maybridge1_007059 CCOC(=O)c1c(/N=C/c2cc(Br)c(Br)cc2O)sc3CCCCc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I20 compound treatment 0.382 0.0142 0.54 0.378 0.0127 0.51 0.7427 0.9996 1181266 Maybridge1_007060 COCc1cc(=O)oc2cc(N)ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I21 compound treatment 0.361 -0.00681 -0.26 0.36 -0.00531 -0.21 -0.3344 -0.9955 2073153 Maybridge1_007061 NC(=N)NC(=N)Nc1cc(Cl)cc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I22 compound treatment 0.364 -0.00381 -0.14 0.363 -0.00231 -0.09 -0.1683 -0.9772 2073154 Maybridge1_007062 NC(=N)NC(=N)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I23 mock treatment 0.373 0.00519 0.2 0.372 0.00669 0.27 0.3299 0.9882 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 I24 positive control 0.08 -0.288 -10.94 0.076 -0.289 -11.66 -15.9774 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J01 compound treatment 0.362 -0.00581 -0.22 0.358 -0.00731 -0.29 -0.3645 -0.9899 2073155 Maybridge1_007063 CCc1cc(O)nc(SCc2c(F)cccc2Cl)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J02 compound treatment 0.348 -0.0198 -0.75 0.344 -0.0213 -0.86 -1.1397 -0.9978 1434301 Maybridge1_007064 CCc1cccc(CC)c1N2C(=O)CC(Sc3ccccc3N)C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J03 compound treatment 0.373 0.00519 0.2 0.361 -0.00431 -0.17 0.0165 0.0628 1237906 Maybridge1_007065 CCCC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1Cc3c(F)cccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J04 compound treatment 0.359 -0.00881 -0.33 0.35 -0.0153 -0.62 -0.6731 -0.9588 1056222 Maybridge1_007066 Cc1ccc(C=C(C#N)C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J05 compound treatment 0.358 -0.00981 -0.37 0.348 -0.0173 -0.7 -0.757 -0.9569 2073156 Maybridge1_007067 COCc1cc(O)nc(SCC2CC2)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J06 compound treatment 0.395 0.0272 1.03 0.391 0.0257 1.04 1.4625 1.0 1084580 Maybridge1_007068 Nc1ccccc1SC(CC(=O)c2ccccc2)c3ccc4OCOc4c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J07 compound treatment 0.376 0.00819 0.31 0.354 -0.0113 -0.46 -0.1023 -0.1854 2073157 Maybridge1_007069 FC(F)(F)c1cccc(c1)c2nn[nH]n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J08 compound treatment 0.361 -0.00681 -0.26 0.365 -3.12E-4 -0.01 -0.192 -0.7406 1928 Maybridge1_007070 [O-][N+](=O)c1ccc(C=C(C#N)C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J09 compound treatment 0.368 1.88E-4 0.01 0.365 -3.12E-4 -0.01 -0.0039 -0.2672 2073158 Maybridge1_007071 Cc1cccc(/N=C/c2cc(I)cc(I)c2O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J10 compound treatment 0.41 0.0422 1.6 0.415 0.0497 2.0 2.5494 0.9939 2073159 Maybridge1_007072 COc1cc(NC(=S)NC(=O)c2ccccc2)c(OC)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J11 compound treatment 0.37 0.00219 0.08 0.395 0.0297 1.2 0.9047 0.7544 1006360 Maybridge1_007073 Oc1nnc(O)c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J12 compound treatment 0.364 -0.00381 -0.14 0.366 6.88E-4 0.03 -0.0829 -0.5617 1921383 Maybridge1_007074 C/C(=C\c1ccc(Cl)cc1)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J13 compound treatment 0.374 0.00619 0.24 0.383 0.0177 0.71 0.6703 0.893 1042465 Maybridge1_007075 OCCNC(=S)NCC=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J14 compound treatment 0.372 0.00419 0.16 0.374 0.00869 0.35 0.3601 0.9363 2073160 Maybridge1_007076 C/C(=N\Cc1ccncc1)/c2ccccc2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J15 compound treatment 0.386 0.0182 0.69 0.385 0.0197 0.79 1.0497 0.9976 2073161 Maybridge1_007077 O=C/1OC(=N\C1=C/c2ccc(cc2)c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J16 compound treatment 0.362 -0.00581 -0.22 0.366 6.88E-4 0.03 -0.1366 -0.6136 2073162 Maybridge1_007078 COc1cc(/C=N/CCC\N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J17 compound treatment 0.361 -0.00681 -0.26 0.35 -0.0153 -0.62 -0.6194 -0.9256 1018228 Maybridge1_007079 Nc1c(C#N)c(CC#N)nn1c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J18 compound treatment 0.374 0.00619 0.24 0.368 0.00269 0.11 0.2428 0.9381 2073163 Maybridge1_007080 Oc1ccc(Br)cc1/C=N/c2ccc(cc2)S(=O)(=O)Nc3nccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J19 compound treatment 0.379 0.0112 0.43 0.373 0.00769 0.31 0.5197 0.9879 1259024 Maybridge1_007081 Clc1ccc(NC(=S)Nc2ccccn2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J20 compound treatment 0.411 0.0432 1.64 0.404 0.0387 1.56 2.2628 0.9997 2073164 Maybridge1_007082 COC(=O)c1ccccc1N=NNc2cc(OC)cc(c2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J21 compound treatment 0.377 0.00919 0.35 0.368 0.00269 0.11 0.3235 0.8849 2073165 Maybridge1_007083 COc1ccc(Br)cc1/C=N/N=C/c2cc(Br)ccc2OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J22 compound treatment 0.367 -8.12E-4 -0.03 0.365 -3.12E-4 -0.01 -0.0307 -0.9218 1524469 Maybridge1_007084 O=C1N(Nc2ccccc2)C(=O)c3cccc4cccc1c34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J23 mock treatment 0.379 0.0112 0.43 0.34 -0.0253 -1.02 -0.4206 -0.3806 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 J24 positive control 0.079 -0.289 -10.98 0.077 -0.288 -11.62 -15.9758 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K01 compound treatment 0.466 0.0982 3.73 0.466 0.101 4.06 5.5074 0.9991 1050488 Maybridge1_007085 OC(=O)CCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K02 compound treatment 0.334 -0.0338 -1.28 0.328 -0.0373 -1.5 -1.9718 -0.9969 1267668 Maybridge1_007086 Fc1cccc(Cl)c1Cn2nnc(n2)N3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K03 compound treatment 0.383 0.0152 0.58 0.369 0.00369 0.15 0.5132 0.8611 2073166 Maybridge1_007087 CC/1(CCCC\C1=N\O)NO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K04 compound treatment 0.346 -0.0218 -0.83 0.341 -0.0243 -0.98 -1.2789 -0.9965 2073167 Maybridge1_007088 Cc1cc(O)nc(SCC(=O)C(C)(C)C)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K05 compound treatment 0.342 -0.0258 -0.98 0.333 -0.0323 -1.3 -1.6143 -0.9902 2073168 Maybridge1_007089 OC(=O)C1(CC2CC3C1)CC(C2)(C3)C(F)(F)C(F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K06 compound treatment 0.347 -0.0208 -0.79 0.341 -0.0243 -0.98 -1.252 -0.9944 2073169 Maybridge1_007090 Cc1cccc(NC(=N)NC(=N)N)c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K07 compound treatment 0.351 -0.0168 -0.64 0.36 -0.00531 -0.21 -0.6031 -0.8951 1627929 Maybridge1_007091 Clc1ccc(cc1)C(=O)NC2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K08 compound treatment 0.365 -0.00281 -0.11 0.346 -0.0193 -0.78 -0.6259 -0.7967 2073170 Maybridge1_007092 NC(=N)NC(=N)Nc1cc(Cl)ccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K09 compound treatment 0.367 -8.12E-4 -0.03 0.414 0.0487 1.96 1.3655 0.6959 1202748 Maybridge1_007093 COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K10 compound treatment 0.365 -0.00281 -0.11 0.365 -3.12E-4 -0.01 -0.0845 -0.785 2073171 Maybridge1_007094 Cc1cc(NC(=N)NC(=N)N)ccc1Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K11 compound treatment 0.399 0.0312 1.19 0.398 0.0327 1.32 1.7694 0.9986 1729064 Maybridge1_007095 Clc1cc(Cl)c(cc1Cl)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K12 compound treatment 0.362 -0.00581 -0.22 0.357 -0.00831 -0.33 -0.393 -0.9796 2073172 Maybridge1_007096 Oc1cc(nc(n1)C2CC2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K13 compound treatment 0.076 -0.292 -11.09 0.075 -0.29 -11.7 -16.1134 -0.9996 2073173 Maybridge1_007097 CC1=CC(=O)C(=CC1=O)Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K14 compound treatment 0.367 -8.12E-4 -0.03 0.351 -0.0143 -0.58 -0.4297 -0.7439 1137690 Maybridge1_007098 OC(=O)CCNC(=S)Nc1cccc(F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K15 compound treatment 0.36 -0.00781 -0.3 0.364 -0.00131 -0.05 -0.2473 -0.8202 2073174 Maybridge1_007099 C1c2ccccc2-c3ncccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K16 compound treatment 0.365 -0.00281 -0.11 0.354 -0.0113 -0.46 -0.3979 -0.8498 1013598 Maybridge1_007100 NC(=N)NC(=N)Nc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K17 compound treatment 0.366 -0.00181 -0.07 0.367 0.00169 0.07 -6.0E-4 -0.0064 724 Maybridge1_007101 CCn1cc(C(=O)O)c(=O)c2ccc(C)nc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K18 compound treatment 0.358 -0.00981 -0.37 0.354 -0.0113 -0.46 -0.586 -0.995 2073175 Maybridge1_007102 CCSc1nc(N)c(Br)c(O)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K19 compound treatment 0.359 -0.00881 -0.33 0.354 -0.0113 -0.46 -0.5591 -0.9885 1037873 Maybridge1_007103 Cc1c(cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K20 compound treatment 0.371 0.00319 0.12 0.36 -0.00531 -0.21 -0.0657 -0.2672 1208794 Maybridge1_007104 CC1=CC2N=C(C)C=C(O)N2O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K21 compound treatment 0.361 -0.00681 -0.26 0.359 -0.00631 -0.25 -0.3629 -1.0 2073176 Maybridge1_007105 Cc1nc(S)nc(O)c1Cc2c(F)cccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K22 compound treatment 0.372 0.00419 0.16 0.369 0.00369 0.15 0.2176 0.9994 1027920 Maybridge1_007106 CC1=CC(C)(C)NC(=S)N1c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K23 mock treatment 0.367 -8.12E-4 -0.03 0.371 0.00569 0.23 0.1402 0.6064 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 K24 positive control 0.082 -0.286 -10.86 0.079 -0.286 -11.54 -15.8382 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L01 compound treatment 0.34 -0.0278 -1.06 0.338 -0.0273 -1.1 -1.5256 -0.9998 1659710 Maybridge1_007107 COc1ccccc1NC(=S)NCCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L02 compound treatment 0.326 -0.0418 -1.59 0.324 -0.0413 -1.66 -2.3007 -0.9997 1080211 Maybridge1_007108 CCc1cccc(CC)c1NC(=S)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L03 compound treatment 0.337 -0.0308 -1.17 0.334 -0.0313 -1.26 -1.7202 -0.9993 2073177 Maybridge1_007109 CCCC1=NNC(=O)C1CC=C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L04 compound treatment 0.373 0.00519 0.2 0.373 0.00769 0.31 0.3584 0.9762 1002383 Maybridge1_007110 N#CC(=Cc1ccc2OCOc2c1)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L05 compound treatment 0.337 -0.0308 -1.17 0.336 -0.0293 -1.18 -1.6632 -1.0 2073178 Maybridge1_007111 CCCc1nc(nc(O)c1CC2CC2)c3ccccn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L06 compound treatment 0.347 -0.0208 -0.79 0.33 -0.0353 -1.42 -1.5654 -0.9616 1604878 Maybridge1_007112 COc1cccc(Nc2nnc(S)s2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L07 compound treatment 0.362 -0.00581 -0.22 0.376 0.0107 0.43 0.1483 0.3065 2073179 Maybridge1_007113 FC(F)(F)c1cccc(c1)c2nnc(o2)c3ccc(Cl)cc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L08 compound treatment 0.37 0.00219 0.08 0.377 0.0117 0.47 0.3918 0.8193 2073180 Maybridge1_007114 COc1cccc(/C=N/N=C/c2cccc(OC)c2O)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L09 compound treatment 0.361 -0.00681 -0.26 0.36 -0.00531 -0.21 -0.3344 -0.9955 2073181 Maybridge1_007115 Oc1c(Br)cc(Br)cc1/C=N/c2ccc(Oc3ccc(Cl)cc3)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L10 compound treatment 0.348 -0.0198 -0.75 0.346 -0.0193 -0.78 -1.0827 -0.9999 2073182 Maybridge1_007116 C/C(=N\Cc1ccc2OCOc2c1)/c3ccccc3O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L11 compound treatment 0.371 0.00319 0.12 0.37 0.00469 0.19 0.2192 0.9769 1084579 Maybridge1_007117 Clc1ccc(Oc2ccc(NCN3C(=O)c4ccccc4C3=O)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L12 compound treatment 0.355 -0.0128 -0.49 0.351 -0.0143 -0.58 -0.7521 -0.9965 1012383 Maybridge1_007118 NC(=O)Nc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L13 compound treatment 0.364 -0.00381 -0.14 0.36 -0.00531 -0.21 -0.2538 -0.9819 1183837 Maybridge1_007119 CCOC(=O)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L14 compound treatment 0.36 -0.00781 -0.3 0.352 -0.0133 -0.54 -0.5893 -0.9611 2073183 Maybridge1_007120 CCOc1ccc(Br)cc1/C=C(\C)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L15 compound treatment 0.348 -0.0198 -0.75 0.34 -0.0253 -1.02 -1.2536 -0.9888 2073184 Maybridge1_007121 [O-][N+](=O)/C=C/c1c(Cl)cccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L16 compound treatment 0.353 -0.0148 -0.56 0.349 -0.0163 -0.66 -0.8628 -0.997 2073185 Maybridge1_007122 C/C(=N\NC(=S)N)/c1ccc(Br)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L17 compound treatment 0.415 0.0472 1.79 0.402 0.0367 1.48 2.3133 0.9954 2073186 Maybridge1_007123 O=C/1OC(=N\C1=C/c2ccco2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L18 compound treatment 0.364 -0.00381 -0.14 0.355 -0.0103 -0.42 -0.3963 -0.9005 1569211 Maybridge1_007124 COc1ccc(cc1)C(=O)CC2OC(=O)c3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L19 compound treatment 0.37 0.00219 0.08 0.353 -0.0123 -0.5 -0.2921 -0.5805 1045646 Maybridge1_007125 Cc1ccc(CSC(=N)N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L20 compound treatment 0.361 -0.00681 -0.26 0.352 -0.0133 -0.54 -0.5624 -0.9442 2073187 Maybridge1_007126 CN(C)c1ccc(cc1)n2nnnc2S 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L21 compound treatment 0.356 -0.0118 -0.45 0.355 -0.0103 -0.42 -0.6113 -0.9993 1384061 Maybridge1_007127 Sc1nnc(NC2CCCCC2)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L22 compound treatment 0.362 -0.00581 -0.22 0.356 -0.00931 -0.38 -0.4215 -0.9681 1040878 Maybridge1_007128 CN(C)N1C(=O)c2ccccc2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L23 mock treatment 0.368 1.88E-4 0.01 0.369 0.00369 0.15 0.1101 0.7402 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 L24 positive control 0.081 -0.287 -10.9 0.078 -0.287 -11.58 -15.8936 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M01 compound treatment 0.343 -0.0248 -0.94 0.342 -0.0233 -0.94 -1.331 -1.0 1153336 Maybridge1_007129 S(c1c(nc2ccccn12)c3ccccc3)c4ccccc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M02 compound treatment 0.324 -0.0438 -1.66 0.326 -0.0393 -1.58 -2.2975 -0.9997 1304742 Maybridge1_007130 Cc1nc(SCc2c(F)cccc2Cl)nc(O)c1Cc3c(F)cccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M03 compound treatment 0.319 -0.0488 -1.85 0.32 -0.0453 -1.83 -2.6028 -1.0 2073188 Maybridge1_007131 Cc1cnnc2ccc3nonc3c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M04 compound treatment 0.331 -0.0368 -1.4 0.327 -0.0383 -1.54 -2.0809 -0.9988 2073189 Maybridge1_007132 CCOC(=N)c1ccc(F)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M05 compound treatment 0.335 -0.0328 -1.25 0.333 -0.0323 -1.3 -1.8024 -0.9998 1652029 Maybridge1_007133 Clc1ccc(CN2CCC(CC2)NC(=O)c3ccccc3)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M06 compound treatment 0.333 -0.0348 -1.32 0.33 -0.0353 -1.42 -1.9416 -0.9993 2073190 Maybridge1_007134 Nc1ncnc(Nc2cccc(c2)C(F)(F)F)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M07 compound treatment 0.34 -0.0278 -1.06 0.337 -0.0283 -1.14 -1.5541 -0.9993 1684864 Maybridge1_007135 Brc1ccccc1C(=O)NC2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M08 compound treatment 0.349 -0.0188 -0.71 0.346 -0.0193 -0.78 -1.0558 -0.9991 2073191 Maybridge1_007136 CCOC(=N)c1cccc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M09 compound treatment 0.351 -0.0168 -0.64 0.347 -0.0183 -0.74 -0.9736 -0.9974 1607644 Maybridge1_007137 COc1ccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M10 compound treatment 0.346 -0.0218 -0.83 0.343 -0.0223 -0.9 -1.2219 -0.9992 2073192 Maybridge1_007138 NC(=N)NC(=N)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M11 compound treatment 0.356 -0.0118 -0.45 0.352 -0.0133 -0.54 -0.6967 -0.9961 1513968 Maybridge1_007139 Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M12 compound treatment 0.366 -0.00181 -0.07 0.37 0.00469 0.19 0.0849 0.4221 1471831 Maybridge1_007140 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(Cl)cc(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M13 compound treatment 0.357 -0.0108 -0.41 0.356 -0.00931 -0.38 -0.5559 -0.999 686 Maybridge1_007141 C(Nc1ncnc2[nH]cnc12)c3ccco3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M14 compound treatment 0.364 -0.00381 -0.14 0.362 -0.00331 -0.13 -0.1968 -0.9992 1022398 Maybridge1_007142 Nc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M15 compound treatment 0.359 -0.00881 -0.33 0.351 -0.0143 -0.58 -0.6446 -0.9666 1074320 Maybridge1_007143 O=C1c2ccccc2-c3ncccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M16 compound treatment 0.373 0.00519 0.2 0.384 0.0187 0.75 0.6719 0.8631 2073193 Maybridge1_007144 CC(C)CCc1c(C)nc(SCC(=O)C(C)(C)C)nc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M17 compound treatment 0.364 -0.00381 -0.14 0.359 -0.00631 -0.25 -0.2823 -0.9644 1644993 Maybridge1_007145 Cc1nn(c(N)c1c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M18 compound treatment 0.363 -0.00481 -0.18 0.365 -3.12E-4 -0.01 -0.1382 -0.754 2073194 Maybridge1_007146 NC(=N)NC(=N)Nc1ccc2OCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M19 compound treatment 0.366 -0.00181 -0.07 0.362 -0.00331 -0.13 -0.1431 -0.9526 2073195 Maybridge1_007147 Cc1cc(O)n(n1)c2cc(Cl)c(cc2Cl)S(=O)(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M20 compound treatment 0.362 -0.00581 -0.22 0.353 -0.0123 -0.5 -0.507 -0.9336 2073196 Maybridge1_007148 Cc1cc(O)nc(n1)c2cccc(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M21 compound treatment 0.403 0.0352 1.34 0.402 0.0367 1.48 1.9909 0.9987 2073197 Maybridge1_007149 COc1ccc(CCN/2C(=O)CS\C2=N/c3cc(Cl)cc(Cl)c3)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M22 compound treatment 0.367 -8.12E-4 -0.03 0.367 0.00169 0.07 0.0263 0.3515 2073198 Maybridge1_007150 COCc1cc(=O)oc2[nH]nc(C)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M23 mock treatment 0.365 -0.00281 -0.11 0.364 -0.00131 -0.05 -0.113 -0.9474 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 M24 positive control 0.082 -0.286 -10.86 0.081 -0.284 -11.46 -15.7812 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N01 compound treatment 0.327 -0.0408 -1.55 0.324 -0.0413 -1.66 -2.2738 -0.9994 2073199 Maybridge1_007151 [O-][N+](=O)c1cccc(c1)c2nn[nH]n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N02 compound treatment 0.319 -0.0488 -1.85 0.317 -0.0483 -1.95 -2.6883 -0.9997 2073200 Maybridge1_007152 Sc1nnnn1Cc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N03 compound treatment 0.326 -0.0418 -1.59 0.323 -0.0423 -1.71 -2.3292 -0.9994 1205916 Maybridge1_007153 CCCc1cc(=O)oc2cc(OCC(=O)OCC)ccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N04 compound treatment 0.336 -0.0318 -1.21 0.33 -0.0353 -1.42 -1.861 -0.9967 2073201 Maybridge1_007154 Cc1cc(C)c(NC(=S)NN)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N05 compound treatment 0.333 -0.0348 -1.32 0.327 -0.0383 -1.54 -2.0271 -0.997 1694603 Maybridge1_007155 CC(C(=O)NN)n1nnc(n1)N2CCOCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N06 compound treatment 0.505 0.137 5.21 0.499 0.134 5.39 7.4956 0.9999 1058453 Maybridge1_007156 N#CC(=Cc1c[nH]c2ccccc12)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N07 compound treatment 0.352 -0.0158 -0.6 0.342 -0.0233 -0.94 -1.0892 -0.9767 1643270 Maybridge1_007157 NNC(=O)CCn1nnc(n1)c2cccc(Cl)c2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N08 compound treatment 0.405 0.0372 1.41 0.396 0.0307 1.24 1.8737 0.9978 2073202 Maybridge1_007158 CCO/C=C/1\SC(=S)NC1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N09 compound treatment 0.393 0.0252 0.96 0.388 0.0227 0.91 1.3233 0.9997 2073203 Maybridge1_007159 Oc1c(Cl)cc(Cl)cc1/C=N/c2ccccc2C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N10 compound treatment 0.352 -0.0158 -0.6 0.348 -0.0173 -0.7 -0.9182 -0.9972 2073204 Maybridge1_007160 CCOC(=O)c1ccc(NC(=S)NCCCN2CCOCC2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N11 compound treatment 0.36 -0.00781 -0.3 0.356 -0.00931 -0.38 -0.4753 -0.9933 1487751 Maybridge1_007161 Cc1ccccc1NC(=S)NCCO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N12 compound treatment 0.409 0.0412 1.57 0.403 0.0377 1.52 2.1806 0.9999 2073205 Maybridge1_007162 O=C/1OC(=N\C1=C/c2ccc(\C=C\3/N=C(OC3=O)c4ccccc4)cc2)c5ccccc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N13 compound treatment 0.364 -0.00381 -0.14 0.359 -0.00631 -0.25 -0.2823 -0.9644 1264587 Maybridge1_007163 Cc1cccc(C)c1NC(=S)NCCO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N14 compound treatment 0.385 0.0172 0.65 0.383 0.0177 0.71 0.9658 0.999 2073206 Maybridge1_007164 COc1ccccc1C=C(C#N)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N15 compound treatment 0.365 -0.00281 -0.11 0.357 -0.00831 -0.33 -0.3124 -0.8886 2073207 Maybridge1_007165 Clc1ccc(/C=C/2\N=C(OC2=O)c3ccccc3)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N16 compound treatment 0.36 -0.00781 -0.3 0.358 -0.00731 -0.29 -0.4183 -1.0 1056276 Maybridge1_007166 NC1=C(C#N)C2=CCCC2C3(CCCC3)C1(C#N)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N17 compound treatment 0.332 -0.0358 -1.36 0.324 -0.0413 -1.66 -2.1395 -0.995 2073208 Maybridge1_007167 Cc1cc(CSC(=N)N)c(CSC(=N)N)cc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N18 compound treatment 0.394 0.0262 1.0 0.403 0.0377 1.52 1.7775 0.979 2073209 Maybridge1_007168 CCCCC(C(=O)N/N=C/c1ccc(OCC)c(OC)c1)C(=O)N/N=C/c2ccc(OCC)c(OC)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N19 compound treatment 0.378 0.0102 0.39 0.374 0.00869 0.35 0.5213 0.9987 1719191 Maybridge1_007169 Cc1ccc(NC(=S)Nc2ccccn2)cc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N20 compound treatment 0.367 -8.12E-4 -0.03 0.368 0.00269 0.11 0.0547 0.4861 1506578 Maybridge1_007170 NNC(=S)Nc1ccc2OCCOc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N21 compound treatment 0.379 0.0112 0.43 0.375 0.00969 0.39 0.5767 0.9991 1239520 Maybridge1_007171 COc1ccc(CCNC(=S)NCCc2ccc(OC)c(OC)c2)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N22 compound treatment 0.371 0.00319 0.12 0.365 -3.12E-4 -0.01 0.0767 0.6302 2073210 Maybridge1_007172 COc1ccc(CC/N=C(\C)/c2ccc3ccccc3c2)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N23 mock treatment 0.373 0.00519 0.2 0.371 0.00569 0.23 0.3015 0.9972 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 N24 positive control 0.083 -0.285 -10.82 0.079 -0.286 -11.54 -15.8114 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O01 compound treatment 0.32 -0.0478 -1.82 0.32 -0.0453 -1.83 -2.5759 -1.0 1278108 Maybridge1_007173 OC(=O)c1nonc1c2nonc2C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O02 compound treatment 0.306 -0.0618 -2.35 0.307 -0.0583 -2.35 -3.3225 -1.0 2073211 Maybridge1_007174 S=C(NCc1cccs1)NC2CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O03 compound treatment 0.322 -0.0458 -1.74 0.319 -0.0463 -1.87 -2.5507 -0.9994 1922564 Maybridge1_007175 c1ccc(cc1)c2cc3c4nonc4ccc3nn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O04 compound treatment 0.317 -0.0508 -1.93 0.312 -0.0533 -2.15 -2.8845 -0.9986 1679982 Maybridge1_007176 Cc1nc(nc(O)c1CC2CC2)c3ccccn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O05 compound treatment 0.33 -0.0378 -1.44 0.328 -0.0373 -1.5 -2.0792 -0.9997 1426502 Maybridge1_007177 Clc1ccc(CN2CCC(CC2)NC(=O)c3ccccc3)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O06 compound treatment 0.323 -0.0448 -1.7 0.321 -0.0443 -1.79 -2.4668 -0.9997 2073212 Maybridge1_007178 NC(=N)NC(=N)Nc1cccc(C#C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O07 compound treatment 0.334 -0.0338 -1.28 0.334 -0.0313 -1.26 -1.8008 -1.0 1152846 Maybridge1_007179 Clc1cccc(Cl)c1C(=O)NC2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O08 compound treatment 0.334 -0.0338 -1.28 0.333 -0.0323 -1.3 -1.8293 -1.0 1393987 Maybridge1_007180 Nc1ncnc(Nc2nc(cs2)c3ccccc3)n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O09 compound treatment 0.343 -0.0248 -0.94 0.338 -0.0273 -1.1 -1.445 -0.997 1728517 Maybridge1_007181 COc1ccc(CCNS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O10 compound treatment 0.334 -0.0338 -1.28 0.331 -0.0343 -1.38 -1.8863 -0.9993 2073213 Maybridge1_007182 COc1cc(NC(=N)NC(=N)N)cc(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O11 compound treatment 0.349 -0.0188 -0.71 0.346 -0.0193 -0.78 -1.0558 -0.9991 1498392 Maybridge1_007183 Brc1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O12 compound treatment 0.352 -0.0158 -0.6 0.346 -0.0193 -0.78 -0.9752 -0.9918 1006238 Maybridge1_007184 Nc1ccc(cc1)S(=O)(=O)Nc2cc(Cl)cc(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O13 compound treatment 0.352 -0.0158 -0.6 0.348 -0.0173 -0.7 -0.9182 -0.9972 1092526 Maybridge1_007185 c1cn2cc(nc2s1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O14 compound treatment 0.361 -0.00681 -0.26 0.358 -0.00731 -0.29 -0.3914 -0.9979 2073214 Maybridge1_007186 CC(=O)N(C1=NCCC(=O)S1)c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O15 compound treatment 0.354 -0.0138 -0.52 0.342 -0.0233 -0.94 -1.0354 -0.9622 2073215 Maybridge1_007187 Cc1ccc(cc1)C(=O)c2c(C)ccc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O16 compound treatment 0.353 -0.0148 -0.56 0.346 -0.0193 -0.78 -0.9483 -0.9874 2073216 Maybridge1_007188 CC(=C)Cc1c(C)nc(S)nc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O17 compound treatment 0.364 -0.00381 -0.14 0.354 -0.0113 -0.46 -0.4248 -0.8881 1716974 Maybridge1_007189 OC1CC(NC2(CCCC2)C1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O18 compound treatment 0.361 -0.00681 -0.26 0.356 -0.00931 -0.38 -0.4484 -0.9836 1256 Maybridge1_007190 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O19 compound treatment 0.364 -0.00381 -0.14 0.361 -0.00431 -0.17 -0.2253 -0.9959 1176932 Maybridge1_007191 CC1CC(=O)c2c(F)c(F)cc3c(=O)c(cn1c23)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O20 compound treatment 0.367 -8.12E-4 -0.03 0.361 -0.00431 -0.17 -0.1447 -0.8199 2073217 Maybridge1_007192 Sc1nc2ccccc2c(=O)n1CC3CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O21 compound treatment 0.365 -0.00281 -0.11 0.362 -0.00331 -0.13 -0.17 -0.9939 1023643 Maybridge1_007193 Nc1nc(O)cc(n1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O22 compound treatment 0.366 -0.00181 -0.07 0.362 -0.00331 -0.13 -0.1431 -0.9526 2073218 Maybridge1_007194 NC(=N)NC(=N)Nc1cccc(Cl)c1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O23 mock treatment 0.367 -8.12E-4 -0.03 0.366 6.88E-4 0.03 -0.0022 -0.0541 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 O24 positive control 0.085 -0.283 -10.75 0.083 -0.282 -11.38 -15.6436 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P01 compound treatment 0.329 -0.0388 -1.47 0.325 -0.0403 -1.62 -2.1916 -0.9988 1183103 Maybridge1_007195 CC(C)c1ccc(NC(=S)NCCC(=O)O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P02 compound treatment 0.35 -0.0178 -0.68 0.348 -0.0173 -0.7 -0.9719 -0.9999 1080218 Maybridge1_007196 O=C(NC(=S)Nc1ccccn1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P03 compound treatment 0.32 -0.0478 -1.82 0.322 -0.0433 -1.75 -2.5189 -0.9998 2073219 Maybridge1_007197 CC1=NNC(=O)C1Cc2ccc(F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P04 compound treatment 0.338 -0.0298 -1.13 0.336 -0.0293 -1.18 -1.6363 -0.9998 2073220 Maybridge1_007198 NC(=S)Nc1cc(Cl)ccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P05 compound treatment 0.345 -0.0228 -0.87 0.34 -0.0253 -1.02 -1.3342 -0.9967 2073221 Maybridge1_007199 CCCCCCCc1c(O)[nH]nc1COC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P06 compound treatment 0.356 -0.0118 -0.45 0.343 -0.0223 -0.9 -0.9532 -0.9485 1083209 Maybridge1_007200 S=C1SCN(CCc2ccccc2)CN1CCc3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P07 compound treatment 0.359 -0.00881 -0.33 0.353 -0.0123 -0.5 -0.5876 -0.9817 1430187 Maybridge1_007201 COc1ccccc1NC(=S)NCCc2ccc(OC)c(OC)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P08 compound treatment 0.386 0.0182 0.69 0.382 0.0167 0.67 0.9642 0.9999 2073222 Maybridge1_007202 S=C(NCCc1ccccc1)N2CCC(CCCC3CCN(CC3)C(=S)NCCc4ccccc4)CC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P09 compound treatment 0.354 -0.0138 -0.52 0.348 -0.0173 -0.7 -0.8645 -0.9902 2073223 Maybridge1_007203 Cc1ccc(Cl)cc1NC(=S)NN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P10 compound treatment 0.38 0.0122 0.46 0.362 -0.00331 -0.13 0.2331 0.4836 2073224 Maybridge1_007204 Oc1ccc(Br)cc1/C=N/c2ccc(F)c(F)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P11 compound treatment 0.357 -0.0108 -0.41 0.352 -0.0133 -0.54 -0.6699 -0.9913 2073225 Maybridge1_007205 Cc1cc(Cl)ccc1NC(=S)NN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P12 compound treatment 0.367 -8.12E-4 -0.03 0.37 0.00469 0.19 0.1117 0.5838 2073226 Maybridge1_007206 Clc1cccc(/C=C/2\N=C(OC2=O)c3ccccc3)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P13 compound treatment 0.37 0.00219 0.08 0.365 -3.12E-4 -0.01 0.0499 0.5932 2073227 Maybridge1_007207 N/C(=N\O)/Cc1ccc(cc1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P14 compound treatment 0.387 0.0192 0.73 0.381 0.0157 0.63 0.9626 0.9975 2073228 Maybridge1_007208 COc1ccccc1/C=C/2\N=C(OC2=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P15 compound treatment 0.384 0.0162 0.62 0.381 0.0157 0.63 0.882 0.9999 2073229 Maybridge1_007209 Cc1ccc(/C=C/2\N=C(OC2=O)c3ccccc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P16 compound treatment 0.333 -0.0348 -1.32 0.311 -0.0543 -2.19 -2.483 -0.9709 2073230 Maybridge1_007210 FC(F)(F)c1cc(cc(c1)C(F)(F)F)N2C(=O)C=CC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P17 compound treatment 0.336 -0.0318 -1.21 0.343 -0.0223 -0.9 -1.4906 -0.9894 2073231 Maybridge1_007211 [O-][N+](=O)/C=C/c1cccc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P18 compound treatment 0.367 -8.12E-4 -0.03 0.366 6.88E-4 0.03 -0.0022 -0.0541 1063067 Maybridge1_007212 COc1ccc(CNc2ccccn2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P19 compound treatment 0.368 1.88E-4 0.01 0.366 6.88E-4 0.03 0.0246 0.8609 1003767 Maybridge1_007213 O=C1N(Cc2ccccc2)C(=O)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P20 compound treatment 0.373 0.00519 0.2 0.372 0.00669 0.27 0.3299 0.9882 1107460 Maybridge1_007214 C=CCCN1C(=O)c2ccccc2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P21 compound treatment 0.447 0.0792 3.01 0.454 0.0887 3.57 4.6549 0.9963 1076485 Maybridge1_007215 S=C1SCN(CN1C2CCCCC2)C3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P22 compound treatment 0.363 -0.00481 -0.18 0.361 -0.00431 -0.17 -0.2522 -0.9997 1627643 Maybridge1_007216 Clc1ccc(Oc2ccc(NC(=S)NCc3ccco3)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P23 mock treatment 0.372 0.00419 0.16 0.371 0.00569 0.23 0.2746 0.9841 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.561 P24 positive control 0.086 -0.282 -10.71 0.085 -0.28 -11.3 -15.5598 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A01 compound treatment 0.378 0.0111 0.42 0.37 0.00619 0.25 0.4736 0.9689 2073232 Maybridge1_007217 Clc1ccc(NC(=O)CC2S/C(=N/CC=C)/NC2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A02 compound treatment 0.35 -0.0169 -0.64 0.354 -0.00981 -0.4 -0.7347 -0.9726 2073233 Maybridge1_007218 NC(=N)SCc1c(Cl)cccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A03 compound treatment 0.351 -0.0159 -0.61 0.349 -0.0148 -0.6 -0.8503 -1.0 1218556 Maybridge1_007219 Clc1ccc(cc1)C2SCC(=O)N2c3cccnc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A04 compound treatment 0.351 -0.0159 -0.61 0.359 -0.00481 -0.19 -0.5654 -0.8891 2073234 Maybridge1_007220 OC(=O)CCS(=O)(=O)/C=C/c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A05 compound treatment 0.349 -0.0179 -0.68 0.349 -0.0148 -0.6 -0.9041 -0.9978 2073235 Maybridge1_007221 Cc1ccc(NC(=S)NNC(C)(C)C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A06 compound treatment 0.355 -0.0119 -0.45 0.353 -0.0108 -0.44 -0.6289 -0.9998 1626568 Maybridge1_007222 CCc1cccc(C)c1NC(=O)CC(C)(C)CC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A07 compound treatment 0.358 -0.00894 -0.34 0.352 -0.0118 -0.48 -0.5767 -0.9863 1218008 Maybridge1_007223 Cc1ccc2[nH]c(=S)n(c3ccc(cc3)S(=O)(=O)N4CCCCC4)c(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A08 compound treatment 0.357 -0.00994 -0.38 0.355 -0.00881 -0.36 -0.5181 -0.9995 1558896 Maybridge1_007224 OC(=O)CCc1ccccc1OC(=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A09 compound treatment 0.348 -0.0189 -0.72 0.356 -0.00781 -0.31 -0.7315 -0.9312 2073236 Maybridge1_007225 [O-][N+](=O)/C=C/c1c(F)cccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A10 compound treatment 0.36 -0.00694 -0.26 0.361 -0.00281 -0.11 -0.2666 -0.9289 1019656 Maybridge1_007226 COc1ccc(Cl)cc1NC(=S)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A11 compound treatment 0.361 -0.00594 -0.23 0.36 -0.00381 -0.15 -0.2682 -0.9825 2073237 Maybridge1_007227 CCCc1ccc(NC(=S)N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A12 compound treatment 0.364 -0.00294 -0.11 0.368 0.00419 0.17 0.0404 0.1996 1411224 Maybridge1_007228 Cn1cc(c2ccccc2C(=O)N)c(=O)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A13 compound treatment 0.323 -0.0439 -1.67 0.337 -0.0268 -1.08 -1.9446 -0.9778 2073238 Maybridge1_007229 [O-][N+](=O)/C=C/c1ccc(C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A14 compound treatment 0.351 -0.0159 -0.61 0.362 -0.00181 -0.07 -0.4799 -0.7867 2073239 Maybridge1_007230 CCCCCCCCCCCCSC1CC(=O)N(C1=O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A15 compound treatment 0.355 -0.0119 -0.45 0.359 -0.00481 -0.19 -0.4579 -0.9281 2073240 Maybridge1_007231 COc1cc(cc(OC)c1OC)C2CC(=O)N(C(=O)C2)c3cc(C)on3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A16 compound treatment 0.358 -0.00894 -0.34 0.358 -0.00581 -0.23 -0.4058 -0.9835 1594868 Maybridge1_007232 Cc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A17 compound treatment 0.356 -0.0109 -0.42 0.36 -0.00381 -0.15 -0.4025 -0.9084 2073241 Maybridge1_007233 CC(CC(=O)O)CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A18 compound treatment 0.355 -0.0119 -0.45 0.359 -0.00481 -0.19 -0.4579 -0.9281 2073242 Maybridge1_007234 CCOc1ccc(/C=C/2\CCc3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A19 compound treatment 0.363 -0.00394 -0.15 0.364 1.88E-4 0.01 -0.1005 -0.6705 2073243 Maybridge1_007235 CC1CCC2C(C1)C(=O)N(C2=O)c3ccc(cc3)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A20 compound treatment 0.361 -0.00594 -0.23 0.357 -0.00681 -0.27 -0.3537 -0.9953 1509219 Maybridge1_007236 Brc1ccc2NC(=O)C3(OCCO3)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A21 compound treatment 0.349 -0.0179 -0.68 0.35 -0.0138 -0.56 -0.8756 -0.9949 1004667 Maybridge1_007237 CCCCNC(=S)NCCCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A22 compound treatment 0.354 -0.0129 -0.49 0.365 0.00119 0.05 -0.3138 -0.6353 1193653 Maybridge1_007238 O=C1CC(Nc2ccccc2)C(=O)N1c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A23 mock treatment 0.365 -0.00194 -0.07 0.362 -0.00181 -0.07 -0.1037 -1.0 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 A24 positive control 0.072 -0.295 -11.21 0.073 -0.291 -11.72 -16.2116 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B01 compound treatment 0.363 -0.00394 -0.15 0.37 0.00619 0.25 0.0705 0.2425 1229042 Maybridge1_007239 CC(C)Cc1ccc(cc1)C(=O)CC2OC(=O)c3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B02 compound treatment 0.347 -0.0199 -0.76 0.356 -0.00781 -0.31 -0.7583 -0.9243 1698232 Maybridge1_007240 OC(=O)C1CN(Cc2ccccc2Cl)C(=O)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B03 compound treatment 0.36 -0.00694 -0.26 0.353 -0.0108 -0.44 -0.4945 -0.971 1699918 Maybridge1_007241 COc1ccc(CN2C(SCC2=O)c3ccccn3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B04 compound treatment 0.356 -0.0109 -0.42 0.357 -0.00681 -0.27 -0.488 -0.9797 1329181 Maybridge1_007242 Clc1ccc(cc1)C2NCCc3sccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B05 compound treatment 0.381 0.0141 0.53 0.374 0.0102 0.41 0.6682 0.9915 2073244 Maybridge1_007243 [O-][N+](=O)/C=C/c1ccc(OCC=C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B06 compound treatment 0.351 -0.0159 -0.61 0.355 -0.00881 -0.36 -0.6794 -0.9676 1479953 Maybridge1_007244 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3ccc(cc3)c4csnn4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B07 compound treatment 0.359 -0.00794 -0.3 0.366 0.00219 0.09 -0.151 -0.4804 2073245 Maybridge1_007245 Fc1ccc(/C=C/2\CC/C(=C\c3ccc(F)cc3)/C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B08 compound treatment 0.355 -0.0119 -0.45 0.359 -0.00481 -0.19 -0.4579 -0.9281 2073246 Maybridge1_007246 Cc1cc(C(=O)C(F)(F)F)c(C)n1c2cc(Cl)cc(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B09 compound treatment 0.354 -0.0129 -0.49 0.363 -8.12E-4 -0.03 -0.3708 -0.7525 2073247 Maybridge1_007247 O/N=C/C(=O)Nc1ccc(Cl)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B10 compound treatment 0.359 -0.00794 -0.3 0.361 -0.00281 -0.11 -0.2934 -0.9106 1202826 Maybridge1_007248 CC(C)N(C(C)C)C(=O)NC(=O)c1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B11 compound treatment 0.354 -0.0129 -0.49 0.359 -0.00481 -0.19 -0.4848 -0.9172 1011631 Maybridge1_007249 O=C(N1C(C=Cc2ccccc12)C#N)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B12 compound treatment 0.366 -9.38E-4 -0.04 0.364 1.88E-4 0.01 -0.0198 -0.545 2073248 Maybridge1_007250 FC(F)(F)c1cc(cc(c1)S(=O)(=O)Nc2cccc(c2)c3nnco3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B13 compound treatment 0.374 0.00706 0.27 0.369 0.00519 0.21 0.3376 0.9924 1259298 Maybridge1_007251 CCOC(=O)c1c(N)nc(SC)n1c2ccc(cc2)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B14 compound treatment 0.358 -0.00894 -0.34 0.354 -0.00981 -0.4 -0.5198 -0.9971 2073249 Maybridge1_007252 Fc1ccc2OCCC(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B15 compound treatment 0.355 -0.0119 -0.45 0.361 -0.00281 -0.11 -0.4009 -0.8574 1492443 Maybridge1_007253 CSc1nsc(SC)c1C(=O)NC(=O)Nc2ccc(cc2)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B16 compound treatment 0.359 -0.00794 -0.3 0.358 -0.00581 -0.23 -0.3789 -0.9922 2073250 Maybridge1_007254 Cc1cc(oc(=O)c1)C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B17 compound treatment 0.36 -0.00694 -0.26 0.355 -0.00881 -0.36 -0.4375 -0.9892 2073251 Maybridge1_007255 CNC(=S)NNC(=N)c1ccccn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B18 compound treatment 0.356 -0.0109 -0.42 0.359 -0.00481 -0.19 -0.431 -0.9398 2073252 Maybridge1_007256 COC(=O)c1cc2CS(=O)(=O)c3ccc(Cl)cc3-c2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B19 compound treatment 0.359 -0.00794 -0.3 0.358 -0.00581 -0.23 -0.3789 -0.9922 1046067 Maybridge1_007257 CCOC(=O)c1csnn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B20 compound treatment 0.378 0.0111 0.42 0.4 0.0362 1.46 1.3284 0.8753 1429277 Maybridge1_007258 COC(=O)C1=C(C)NC(=C(C1c2ccc(o2)c3ccsc3C(=O)OC)C(=O)OC)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B21 compound treatment 0.36 -0.00694 -0.26 0.36 -0.00381 -0.15 -0.295 -0.967 1596341 Maybridge1_007259 CC(C)(CC(=O)O)Sc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B22 compound treatment 0.372 0.00506 0.19 0.368 0.00419 0.17 0.2554 0.9979 2073253 Maybridge1_007260 CC(=O)c1ccc(s1)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B23 mock treatment 0.363 -0.00394 -0.15 0.362 -0.00181 -0.07 -0.1574 -0.9456 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 B24 positive control 0.072 -0.295 -11.21 0.072 -0.292 -11.76 -16.2401 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C01 compound treatment 0.366 -9.38E-4 -0.04 0.371 0.00719 0.29 0.1796 0.6155 2073254 Maybridge1_007261 CCOC(=O)c1ccc(NC(=S)N2CCN(CC2)C(=S)Nc3ccc(cc3)C(=O)OCC)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C02 compound treatment 0.344 -0.0229 -0.87 0.35 -0.0138 -0.56 -1.0099 -0.9765 2073255 Maybridge1_007262 Clc1ccc(C2SCC(=O)N2c3ccccn3)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C03 compound treatment 0.344 -0.0229 -0.87 0.348 -0.0158 -0.64 -1.0669 -0.9881 2073256 Maybridge1_007263 C/C(=C\c1ccccc1)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C04 compound treatment 0.355 -0.0119 -0.45 0.35 -0.0138 -0.56 -0.7143 -0.9948 2073257 Maybridge1_007264 CC(SCSC(C)C(=O)O)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C05 compound treatment 0.343 -0.0239 -0.91 0.344 -0.0198 -0.8 -1.2078 -0.9979 2073258 Maybridge1_007265 Cc1ccc(NC(=S)NNC(C)(C)C)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C06 compound treatment 0.347 -0.0199 -0.76 0.347 -0.0168 -0.68 -1.0148 -0.9984 2073259 Maybridge1_007266 COc1cccc(/C=C/[N+](=O)[O-])c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C07 compound treatment 0.353 -0.0139 -0.53 0.354 -0.00981 -0.4 -0.6541 -0.9896 2073260 Maybridge1_007267 CCCCCCCCCCCCSc1nnc(N)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C08 compound treatment 0.358 -0.00894 -0.34 0.359 -0.00481 -0.19 -0.3773 -0.9647 1142484 Maybridge1_007268 Fc1cccc(Cl)c1C2NC(=O)c3ccccc3N2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C09 compound treatment 0.35 -0.0169 -0.64 0.358 -0.00581 -0.23 -0.6207 -0.9063 1706531 Maybridge1_007269 O=C1CSC(N1c2ccc(cc2)C3CCCCC3)c4cccnc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C10 compound treatment 0.125 -0.242 -9.19 0.165 -0.199 -8.01 -12.166 -0.9976 2073261 Maybridge1_007270 COc1cc(OC)cc(c1)N2C(=O)C=CC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C11 compound treatment 0.362 -0.00494 -0.19 0.361 -0.00281 -0.11 -0.2128 -0.9709 1664547 Maybridge1_007271 CCCc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C12 compound treatment 0.345 -0.0219 -0.83 0.35 -0.0138 -0.56 -0.9831 -0.9807 2073262 Maybridge1_007272 COc1cc(OC)cc(/C=C/2\CCc3ccccc3C2=O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C13 compound treatment 0.343 -0.0239 -0.91 0.352 -0.0118 -0.48 -0.9798 -0.9544 2073263 Maybridge1_007273 C/C(=C\c1ccc(C#N)cc1)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C14 compound treatment 0.23 -0.137 -5.2 0.253 -0.111 -4.47 -6.8371 -0.9971 2073264 Maybridge1_007274 [O-][N+](=O)/C=C/c1cccc(c1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C15 compound treatment 0.353 -0.0139 -0.53 0.356 -0.00781 -0.31 -0.5971 -0.9691 1139439 Maybridge1_007275 Cc1cc(no1)N2C(SCC2=O)c3cccnc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C16 compound treatment 0.397 0.0301 1.14 0.383 0.0192 0.77 1.3545 0.9819 1204560 Maybridge1_007276 CSc1ccc(cc1)C(=O)C(CC(=O)c2ccc(Cl)cc2)c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C17 compound treatment 0.357 -0.00994 -0.38 0.359 -0.00481 -0.19 -0.4042 -0.952 2073265 Maybridge1_007277 CC1CC(=O)N(C(=O)C1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C18 compound treatment 0.357 -0.00994 -0.38 0.354 -0.00981 -0.4 -0.5466 -0.9997 2073266 Maybridge1_007278 Cc1cc(Cl)ccc1NC(=O)/C=N/O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C19 compound treatment 0.36 -0.00694 -0.26 0.359 -0.00481 -0.19 -0.3235 -0.9886 2073267 Maybridge1_007279 CCOC(=O)c1ccc(cc1)N2C(=O)C3CCC(C)CC3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C20 compound treatment 0.348 -0.0189 -0.72 0.358 -0.00581 -0.23 -0.6745 -0.8912 2073268 Maybridge1_007280 COc1ccc(cc1)C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C21 compound treatment 0.346 -0.0209 -0.8 0.353 -0.0108 -0.44 -0.8707 -0.9598 1934763 Maybridge1_007281 CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(Br)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C22 compound treatment 0.355 -0.0119 -0.45 0.359 -0.00481 -0.19 -0.4579 -0.9281 1145248 Maybridge1_007282 Fc1ccc(NC2CC(=O)N(C2=O)c3ccc(F)cc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C23 mock treatment 0.358 -0.00894 -0.34 0.355 -0.00881 -0.36 -0.4913 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 C24 positive control 0.075 -0.292 -11.09 0.073 -0.291 -11.72 -16.131 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D01 compound treatment 0.361 -0.00594 -0.23 0.363 -8.12E-4 -0.03 -0.1827 -0.8013 2073269 Maybridge1_007283 C/C(=N\Cc1ccc(F)cc1)/c2ccccc2O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D02 compound treatment 0.349 -0.0179 -0.68 0.376 0.0122 0.49 -0.1347 -0.1604 1601159 Maybridge1_007284 OC(=O)C1CN(Cc2ccc(Cl)cc2)C(=O)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D03 compound treatment 0.383 0.0161 0.61 0.375 0.0112 0.45 0.7504 0.9889 1337825 Maybridge1_007285 S=C1SCN(Cc2ccncc2)CN1Cc3ccncc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D04 compound treatment 0.361 -0.00594 -0.23 0.36 -0.00381 -0.15 -0.2682 -0.9825 2073270 Maybridge1_007286 Cc1ccc(C)n1c2ccc(cc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D05 compound treatment 0.402 0.0351 1.33 0.401 0.0372 1.5 2.0018 0.9983 2073271 Maybridge1_007287 OC(=O)c1ccccc1NC(=O)/C=N/Nc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D06 compound treatment 0.35 -0.0169 -0.64 0.356 -0.00781 -0.31 -0.6777 -0.9459 2073272 Maybridge1_007288 COc1ccc(/C=N/c2ccc(cc2)c3csnn3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D07 compound treatment 0.428 0.0611 2.32 0.413 0.0492 1.98 3.0424 0.9969 2073273 Maybridge1_007289 O=C(NC(=S)Nc1cccnc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D08 compound treatment 0.352 -0.0149 -0.57 0.348 -0.0158 -0.64 -0.8519 -0.9983 2073274 Maybridge1_007290 Cc1cc(C(=O)C(F)(F)F)c(C)n1c2ccc(cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D09 compound treatment 0.349 -0.0179 -0.68 0.358 -0.00581 -0.23 -0.6476 -0.8985 2073275 Maybridge1_007291 O=C1/C(=C/c2cccnc2)/CCc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D10 compound treatment 0.381 0.0141 0.53 0.358 -0.00581 -0.23 0.2122 0.3638 2073276 Maybridge1_007292 FC(F)(F)c1ccc(cc1)C(=O)NCCc2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D11 compound treatment 0.35 -0.0169 -0.64 0.361 -0.00281 -0.11 -0.5353 -0.819 2073277 Maybridge1_007293 CC(C)c1ccc(/C=C/2\CCc3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D12 compound treatment 0.355 -0.0119 -0.45 0.354 -0.00981 -0.4 -0.6004 -0.9977 2073278 Maybridge1_007294 CC(CSc1ccc(Cl)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D13 compound treatment 0.356 -0.0109 -0.42 0.356 -0.00781 -0.31 -0.5165 -0.9906 2073279 Maybridge1_007295 COC(=O)c1nnn(c1C(=O)OC)c2ccc(F)c(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D14 compound treatment 0.347 -0.0199 -0.76 0.356 -0.00781 -0.31 -0.7583 -0.9243 2073280 Maybridge1_007296 OC(=O)CC(Sc1ccc(Cl)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D15 compound treatment 0.373 0.00606 0.23 0.353 -0.0108 -0.44 -0.1452 -0.2946 1157422 Maybridge1_007297 CSc1nsc(SC)c1C(=O)NC(=O)Nc2cccnc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D16 compound treatment 0.358 -0.00894 -0.34 0.35 -0.0138 -0.56 -0.6337 -0.9719 2073281 Maybridge1_007298 N#CCc1ccc(cc1)c2nnco2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D17 compound treatment 0.342 -0.0249 -0.95 0.36 -0.00381 -0.15 -0.7787 -0.8112 2073282 Maybridge1_007299 COC(=O)c1sc(cc1CS(=O)(=O)c2ccc(Cl)cc2)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D18 compound treatment 0.349 -0.0179 -0.68 0.381 0.0172 0.69 0.0077 0.008 2073283 Maybridge1_007300 Cc1ccc(cc1)c2ncns2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D19 compound treatment 0.382 0.0151 0.57 0.36 -0.00381 -0.15 0.2961 0.4996 1282916 Maybridge1_007301 O=C(NC(=O)c1csnn1)N2CCOCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D20 compound treatment 0.359 -0.00794 -0.3 0.356 -0.00781 -0.31 -0.4359 -0.9998 1487892 Maybridge1_007302 Cc1nc(C)c(C(=O)O)c(c2ccsc2)c1C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D21 compound treatment 0.352 -0.0149 -0.57 0.363 -8.12E-4 -0.03 -0.4245 -0.7467 2073284 Maybridge1_007303 CC(C)(C)c1ccc(OC(=O)c2csnn2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D22 compound treatment 0.359 -0.00794 -0.3 0.357 -0.00681 -0.27 -0.4074 -0.9989 2073285 Maybridge1_007304 Brc1ccc(s1)c2ccon2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D23 mock treatment 0.356 -0.0109 -0.42 0.362 -0.00181 -0.07 -0.3455 -0.8188 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 D24 positive control 0.074 -0.293 -11.13 0.075 -0.289 -11.64 -16.1009 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E01 compound treatment 0.362 -0.00494 -0.19 0.369 0.00519 0.21 0.0151 0.0539 1541047 Maybridge1_007305 CCOC(=O)c1ccc(NC(=S)N(Cc2ccccc2)C(C)C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E02 compound treatment 0.351 -0.0159 -0.61 0.355 -0.00881 -0.36 -0.6794 -0.9676 2073286 Maybridge1_007306 C/C(=C\c1ccc(F)cc1)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E03 compound treatment 0.35 -0.0169 -0.64 0.355 -0.00881 -0.36 -0.7062 -0.9607 2073287 Maybridge1_007307 CCCCCCCCCCCC/N=C(\C)/c1ccccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E04 compound treatment 0.351 -0.0159 -0.61 0.354 -0.00981 -0.4 -0.7079 -0.9787 2073288 Maybridge1_007308 FC(F)(F)c1ccc(cc1)N2C(SCC2=O)c3cccnc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E05 compound treatment 0.35 -0.0169 -0.64 0.353 -0.0108 -0.44 -0.7632 -0.9819 2073289 Maybridge1_007309 CC(C)(C)NNC(=S)Nc1cccc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E06 compound treatment 0.361 -0.00594 -0.23 0.359 -0.00481 -0.19 -0.2967 -0.9972 2073290 Maybridge1_007310 Cn1c(N)c(C(C[N+](=O)[O-])c2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E07 compound treatment 0.359 -0.00794 -0.3 0.364 1.88E-4 0.01 -0.2079 -0.6892 1598300 Maybridge1_007311 Fc1ccccc1c2nc3ccccc3c(=O)o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E08 compound treatment 0.364 -0.00294 -0.11 0.369 0.00519 0.21 0.0689 0.2907 2073291 Maybridge1_007312 CC(=O)c1ccccc1NC(=O)CSCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E09 compound treatment 0.357 -0.00994 -0.38 0.368 0.00419 0.17 -0.1477 -0.3571 1607615 Maybridge1_007313 CCC(C)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E10 compound treatment 0.362 -0.00494 -0.19 0.369 0.00519 0.21 0.0151 0.0539 2073292 Maybridge1_007314 FC(F)(F)c1ccc(cc1)c2nnc(S)o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E11 compound treatment 0.364 -0.00294 -0.11 0.371 0.00719 0.29 0.1259 0.4055 2073293 Maybridge1_007315 C/C(=C\c1c2ccccc2cc3ccccc13)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E12 compound treatment 0.513 0.146 5.55 0.509 0.145 5.85 8.0618 0.9997 2073294 Maybridge1_007316 Cc1ccc(/C=C/2\CCc3ccccc3C2=O)o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E13 compound treatment 0.389 0.0221 0.84 0.393 0.0292 1.18 1.4245 0.9862 2073295 Maybridge1_007317 CSc1ccc(C=C(C#N)C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E14 compound treatment 0.351 -0.0159 -0.61 0.359 -0.00481 -0.19 -0.5654 -0.8891 2073296 Maybridge1_007318 O/N=C/C(=O)Nc1cc(Cl)ccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E15 compound treatment 0.408 0.0411 1.56 0.419 0.0552 2.22 2.6759 0.985 2073297 Maybridge1_007319 CSc1ccc(/C=C/2\N=C(OC2=O)c3ccccc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E16 compound treatment 0.36 -0.00694 -0.26 0.367 0.00319 0.13 -0.0956 -0.326 2073298 Maybridge1_007320 NC(=S)Nc1ccc(F)c(F)c1F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E17 compound treatment 0.36 -0.00694 -0.26 0.365 0.00119 0.05 -0.1526 -0.5695 2073299 Maybridge1_007321 [O-][N+](=O)C1CCC(=O)NC1C2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E18 compound treatment 0.365 -0.00194 -0.07 0.367 0.00319 0.13 0.0388 0.2618 1034190 Maybridge1_007322 CC(=O)N1C(=O)c2ccccc2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E19 compound treatment 0.368 0.00106 0.04 0.392 0.0282 1.14 0.8317 0.7318 2073300 Maybridge1_007323 Cc1onc(c1C(=O)NC(=S)Nc2ccc(cc2)C(C)(C)C)c3ccccc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E20 compound treatment 0.332 -0.0349 -1.33 0.325 -0.0388 -1.56 -2.0447 -0.9967 2073301 Maybridge1_007324 Oc1cc2OCOc2cc1C(N3CCCCC3)c4ccc(cc4)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E21 compound treatment 0.404 0.0371 1.41 0.408 0.0442 1.78 2.255 0.9933 1007115 Maybridge1_007325 Cc1sc2ccccc2[n+]1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E22 compound treatment 0.378 0.0111 0.42 0.376 0.0122 0.49 0.6445 0.997 1071585 Maybridge1_007326 O=C1C=C(Nc2ccccc2)C(=O)N1c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E23 mock treatment 0.365 -0.00194 -0.07 0.365 0.00119 0.05 -0.0182 -0.2076 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 E24 positive control 0.076 -0.291 -11.06 0.077 -0.287 -11.56 -15.9902 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F01 compound treatment 0.335 -0.0319 -1.21 0.335 -0.0288 -1.16 -1.6792 -0.9998 1199558 Maybridge1_007327 Cc1ccc(cc1)n2sc(=O)n(Cc3ccc(F)cc3)c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F02 compound treatment 0.348 -0.0189 -0.72 0.342 -0.0218 -0.88 -1.1304 -0.9951 2073302 Maybridge1_007328 OC(=O)C1CN(Cc2ccc(cc2)C(F)(F)F)C(=O)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F03 compound treatment 0.348 -0.0189 -0.72 0.345 -0.0188 -0.76 -1.0449 -0.9997 1372305 Maybridge1_007329 Clc1ccc2n(CN3CCN(Cn4nnc5cc(Cl)ccc45)C3)nnc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F04 compound treatment 0.347 -0.0199 -0.76 0.353 -0.0108 -0.44 -0.8438 -0.9655 2073303 Maybridge1_007330 FC(F)(F)c1ccccc1C(=O)NNc2ccc(cc2)c3csnn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F05 compound treatment 0.364 -0.00294 -0.11 0.358 -0.00581 -0.23 -0.2446 -0.9425 1208089 Maybridge1_007331 COc1ccc(cc1)N2CSCc3nc4ccccc4n3C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F06 compound treatment 0.357 -0.00994 -0.38 0.355 -0.00881 -0.36 -0.5181 -0.9995 2073304 Maybridge1_007332 NC(=S)N/N=C/c1ccc(F)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F07 compound treatment 0.358 -0.00894 -0.34 0.357 -0.00681 -0.27 -0.4343 -0.9944 1213772 Maybridge1_007333 O=C1NCCN=C(c2ccccc2)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F08 compound treatment 0.362 -0.00494 -0.19 0.363 -8.12E-4 -0.03 -0.1558 -0.8181 2073305 Maybridge1_007334 N/C(=N\O)/c1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F09 compound treatment 0.352 -0.0149 -0.57 0.367 0.00319 0.13 -0.3106 -0.5336 2073306 Maybridge1_007335 Fc1ccc(/C=C/2\Cc3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F10 compound treatment 0.362 -0.00494 -0.19 0.357 -0.00681 -0.27 -0.3268 -0.9828 1212754 Maybridge1_007336 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3ccc(cc3)c4cnco4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F11 compound treatment 0.349 -0.0179 -0.68 0.358 -0.00581 -0.23 -0.6476 -0.8985 2073307 Maybridge1_007337 Clc1ccc(/C=C/2\CCc3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F12 compound treatment 0.36 -0.00694 -0.26 0.353 -0.0108 -0.44 -0.4945 -0.971 2073308 Maybridge1_007338 NS(=O)(=O)c1ccc(cc1Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F13 compound treatment 0.356 -0.0109 -0.42 0.356 -0.00781 -0.31 -0.5165 -0.9906 2073309 Maybridge1_007339 Clc1cc(Cl)cc(N/C=N/C#N)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F14 compound treatment 0.352 -0.0149 -0.57 0.357 -0.00681 -0.27 -0.5955 -0.9444 1374387 Maybridge1_007340 COc1ccc(cc1)C2=NCCc3sccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F15 compound treatment 0.355 -0.0119 -0.45 0.363 -8.12E-4 -0.03 -0.3439 -0.7562 2073310 Maybridge1_007341 CSc1nsc(SC)c1C(=O)NC(=O)Nc2cc(C)on2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F16 compound treatment 0.356 -0.0109 -0.42 0.36 -0.00381 -0.15 -0.4025 -0.9084 2073311 Maybridge1_007342 Clc1ccc(OCc2ccsc2C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F17 compound treatment 0.356 -0.0109 -0.42 0.347 -0.0168 -0.68 -0.773 -0.9725 2073312 Maybridge1_007343 CC1CC(=O)c2cc(Cl)ccc2S1(=O)=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F18 compound treatment 0.356 -0.0109 -0.42 0.359 -0.00481 -0.19 -0.431 -0.9398 2073313 Maybridge1_007344 OC(=O)c1sccc1Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F19 compound treatment 0.356 -0.0109 -0.42 0.352 -0.0118 -0.48 -0.6305 -0.9977 1173364 Maybridge1_007345 O=C(NC(=O)c1csnn1)N2CCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F20 compound treatment 0.36 -0.00694 -0.26 0.357 -0.00681 -0.27 -0.3805 -0.9998 2073314 Maybridge1_007346 COC(=O)c1cc2sccc2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F21 compound treatment 0.355 -0.0119 -0.45 0.356 -0.00781 -0.31 -0.5434 -0.9841 2073315 Maybridge1_007347 [O-][N+](=O)c1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F22 compound treatment 0.351 -0.0159 -0.61 0.359 -0.00481 -0.19 -0.5654 -0.8891 2073316 Maybridge1_007348 Cc1cn(CCC#N)c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F23 mock treatment 0.362 -0.00494 -0.19 0.359 -0.00481 -0.19 -0.2698 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 F24 positive control 0.076 -0.291 -11.06 0.073 -0.291 -11.72 -16.1042 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G01 compound treatment 0.372 0.00506 0.19 0.371 0.00719 0.29 0.3408 0.9802 1206001 Maybridge1_007349 CC1(C)CC(=O)C2=C(C1)NC3=C(C2c4cccs4)C(=O)CC(C)(C)C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G02 compound treatment 0.348 -0.0189 -0.72 0.356 -0.00781 -0.31 -0.7315 -0.9312 1304403 Maybridge1_007350 Cc1onc(c1C(=O)NCc2csc3ccccc23)c4c(Cl)cccc4Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G03 compound treatment 0.343 -0.0239 -0.91 0.351 -0.0128 -0.52 -1.0083 -0.964 2073317 Maybridge1_007351 CCCCCCCCCCCCN1CSC(=S)N(CCCCCCCCCCCC)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G04 compound treatment 0.356 -0.0109 -0.42 0.349 -0.0148 -0.6 -0.716 -0.9844 2073318 Maybridge1_007352 C/C(=C\c1ccc(Cl)cc1Cl)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G05 compound treatment 0.35 -0.0169 -0.64 0.354 -0.00981 -0.4 -0.7347 -0.9726 2073319 Maybridge1_007353 CCOC(=O)c1ccc(NC(=S)NNC(C)(C)C)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G06 compound treatment 0.36 -0.00694 -0.26 0.358 -0.00581 -0.23 -0.352 -0.9983 2073320 Maybridge1_007354 COc1ccc(cc1)C(C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G07 compound treatment 0.37 0.00306 0.12 0.365 0.00119 0.05 0.1161 0.9229 2073321 Maybridge1_007355 Nc1ccccc1C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G08 compound treatment 0.357 -0.00994 -0.38 0.361 -0.00281 -0.11 -0.3472 -0.8805 2073322 Maybridge1_007356 FC(F)(F)c1ccc(cc1)N2C(SCC2=O)c3ccccn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G09 compound treatment 0.365 -0.00194 -0.07 0.372 0.00819 0.33 0.1812 0.5361 2073323 Maybridge1_007357 O=C1N(CNc2cccc(C#C)c2)C(=O)c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G10 compound treatment 0.347 -0.0199 -0.76 0.36 -0.00381 -0.15 -0.6444 -0.8335 2073324 Maybridge1_007358 COc1cc(OC)cc(/C=C(\C)/[N+](=O)[O-])c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G11 compound treatment 0.361 -0.00594 -0.23 0.366 0.00219 0.09 -0.0972 -0.4013 1075529 Maybridge1_007359 OC(=O)CSCSCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G12 compound treatment 0.376 0.00906 0.34 0.379 0.0152 0.61 0.6763 0.963 2073325 Maybridge1_007360 COc1ccc(/C=C/2\CCc3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G13 compound treatment 0.471 0.104 3.95 0.481 0.117 4.72 6.1354 0.9961 2073326 Maybridge1_007361 CSc1ccc(/C=C/[N+](=O)[O-])cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G14 compound treatment 0.36 -0.00694 -0.26 0.376 0.0122 0.49 0.1609 0.2886 2073327 Maybridge1_007362 CCOC(=O)C1C(C(C(=O)OCC)C(O)(NC1(O)C(F)(F)F)C(F)(F)F)c2cccnc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G15 compound treatment 0.349 -0.0179 -0.68 0.354 -0.00981 -0.4 -0.7616 -0.9665 2073328 Maybridge1_007363 Cc1ccc2oc(=S)[nH]c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G16 compound treatment 0.356 -0.0109 -0.42 0.36 -0.00381 -0.15 -0.4025 -0.9084 2073329 Maybridge1_007364 FC(F)(F)Oc1ccc(NC2=NCCCS2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G17 compound treatment 0.368 0.00106 0.04 0.366 0.00219 0.09 0.0909 0.9373 2073330 Maybridge1_007365 Clc1cc(Cl)cc(c1)N2C(=O)CCCC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G18 compound treatment 0.357 -0.00994 -0.38 0.363 -8.12E-4 -0.03 -0.2902 -0.7655 1921512 Maybridge1_007366 OCC12COC3N2C(OC1)c4ccccc34 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G19 compound treatment 0.367 6.25E-5 0.0 0.362 -0.00181 -0.07 -0.05 -0.6838 2073331 Maybridge1_007367 CCC1(C)CC(=O)N(C(=O)C1)c2cc(Cl)cc(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G20 compound treatment 0.366 -9.38E-4 -0.04 0.363 -8.12E-4 -0.03 -0.0483 -0.9991 2073332 Maybridge1_007368 Cc1ccccc1C(=O)N2N=C(Nc3ccccc3)SC2(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G21 compound treatment 0.363 -0.00394 -0.15 0.363 -8.12E-4 -0.03 -0.129 -0.8419 1016108 Maybridge1_007369 OC(=O)Cc1csc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G22 compound treatment 0.358 -0.00894 -0.34 0.362 -0.00181 -0.07 -0.2918 -0.84 2073333 Maybridge1_007370 COc1cccc(/C=C/[N+](=O)[O-])c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G23 mock treatment 0.371 0.00406 0.15 0.372 0.00819 0.33 0.3425 0.9401 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 G24 positive control 0.076 -0.291 -11.06 0.08 -0.284 -11.44 -15.9047 -0.9999 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H01 compound treatment 0.37 0.00306 0.12 0.367 0.00319 0.13 0.1731 0.9988 1642823 Maybridge1_007371 COc1ccccc1CCNC(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H02 compound treatment 0.352 -0.0149 -0.57 0.354 -0.00981 -0.4 -0.681 -0.9844 2073334 Maybridge1_007372 CSc1nnc(o1)c2cccc(c2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H03 compound treatment 0.351 -0.0159 -0.61 0.354 -0.00981 -0.4 -0.7079 -0.9787 1003758 Maybridge1_007373 NC(=O)NNc1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H04 compound treatment 0.357 -0.00994 -0.38 0.36 -0.00381 -0.15 -0.3757 -0.9214 2073335 Maybridge1_007374 Clc1cccc(c1)c2cnco2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H05 compound treatment 0.358 -0.00894 -0.34 0.358 -0.00581 -0.23 -0.4058 -0.9835 2073336 Maybridge1_007375 OC(=O)c1ccccc1C(=O)Nc2ccc(OC(F)(F)F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H06 compound treatment 0.362 -0.00494 -0.19 0.362 -0.00181 -0.07 -0.1843 -0.9154 2073337 Maybridge1_007376 C(=N/c1ccc(cc1)c2csnn2)\c3cccnc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H07 compound treatment 0.368 0.00106 0.04 0.373 0.00919 0.37 0.2903 0.7796 1584836 Maybridge1_007377 O=c1n(CN2CCCCC2)nc(c3ccccc3)c4ccccc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H08 compound treatment 0.371 0.00406 0.15 0.375 0.0112 0.45 0.4279 0.8981 2073338 Maybridge1_007378 N/C(=N\OC(=O)c1ccccc1)/c2ccc(cc2)c3csnn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H09 compound treatment 0.364 -0.00294 -0.11 0.366 0.00219 0.09 -0.0166 -0.1167 1403274 Maybridge1_007379 CN1CNc2c(C1)c(=O)n(C)c(=O)n2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H10 compound treatment 0.362 -0.00494 -0.19 0.381 0.0172 0.69 0.3571 0.4976 2073339 Maybridge1_007380 COC(=O)CSc1nc2ccc(Cl)cc2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H11 compound treatment 0.369 0.00206 0.08 0.365 0.00119 0.05 0.0893 0.972 1098997 Maybridge1_007381 CCC1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H12 compound treatment 0.365 -0.00194 -0.07 0.362 -0.00181 -0.07 -0.1037 -1.0 1452355 Maybridge1_007382 CC(CS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H13 compound treatment 0.368 0.00106 0.04 0.368 0.00419 0.17 0.1479 0.8522 2073340 Maybridge1_007383 CSc1nc(N)c(C#N)n1Cc2ccco2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H14 compound treatment 0.349 -0.0179 -0.68 0.339 -0.0248 -1.0 -1.189 -0.9826 1422458 Maybridge1_007384 COc1ccc(cc1)C2NCCc3sccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H15 compound treatment 0.362 -0.00494 -0.19 0.366 0.00219 0.09 -0.0703 -0.3393 1702639 Maybridge1_007385 Clc1cc(Cl)c2nc(sc2c1)N3CCOCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H16 compound treatment 0.365 -0.00194 -0.07 0.355 -0.00881 -0.36 -0.3032 -0.8359 2073341 Maybridge1_007386 Cc1ccc(C)n1c2ccc(Br)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H17 compound treatment 0.358 -0.00894 -0.34 0.367 0.00319 0.13 -0.1493 -0.4113 2073342 Maybridge1_007387 CCOC(=O)N/N=C/1\CC(C)S(=O)(=O)c2ccc(Cl)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H18 compound treatment 0.357 -0.00994 -0.38 0.364 1.88E-4 0.01 -0.2617 -0.6928 2073343 Maybridge1_007388 Cc1noc(C)c1C(=O)NC(=N)C2(CC3CC4CC(C3)C2)C4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H19 compound treatment 0.369 0.00206 0.08 0.366 0.00219 0.09 0.1178 0.9983 2073344 Maybridge1_007389 O=C(NC(=O)c1csnn1)Nc2ncccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H20 compound treatment 0.36 -0.00694 -0.26 0.359 -0.00481 -0.19 -0.3235 -0.9886 2073345 Maybridge1_007390 FC(F)(F)c1ccc(/C=C\2/CSc3sccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H21 compound treatment 0.361 -0.00594 -0.23 0.365 0.00119 0.05 -0.1257 -0.545 2073346 Maybridge1_007391 Cc1noc(C)c1c2nc(CSc3ccc(Cl)cc3)no2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H22 compound treatment 0.366 -9.38E-4 -0.04 0.37 0.00619 0.25 0.1511 0.6 1358842 Maybridge1_007392 Cc1cn(CCC(=O)O)c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H23 mock treatment 0.37 0.00306 0.12 0.374 0.0102 0.41 0.3726 0.8732 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 H24 positive control 0.078 -0.289 -10.98 0.08 -0.284 -11.44 -15.851 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I01 compound treatment 0.409 0.0421 1.6 0.411 0.0472 1.9 2.4748 0.9963 2073347 Maybridge1_007393 CC1(C)CC(=O)C2=C(C1)NC3=C(C2c4ccc(s4)[N+](=O)[O-])C(=O)CC(C)(C)C3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I02 compound treatment 0.36 -0.00694 -0.26 0.349 -0.0148 -0.6 -0.6085 -0.9325 2073348 Maybridge1_007394 FC(F)(F)c1ccc(cc1)C(=O)OCCc2csc3ccccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I03 compound treatment 0.333 -0.0339 -1.29 0.334 -0.0298 -1.2 -1.7614 -0.9994 1609960 Maybridge1_007395 Clc1ccc(cc1Cl)N2C(SCC2=O)c3cccnc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I04 compound treatment 0.35 -0.0169 -0.64 0.352 -0.0118 -0.48 -0.7917 -0.989 2073349 Maybridge1_007396 NC(=N)SCc1cc2ccccc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I05 compound treatment 0.35 -0.0169 -0.64 0.361 -0.00281 -0.11 -0.5353 -0.819 2073350 Maybridge1_007397 CC(C)(C)NNC(=S)Nc1ccc(Cl)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I06 compound treatment 0.359 -0.00794 -0.3 0.359 -0.00481 -0.19 -0.3504 -0.9772 2073351 Maybridge1_007398 Cn1c(N)c(C(C[N+](=O)[O-])c2ccccc2Cl)c(=O)n(C)c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I07 compound treatment 0.363 -0.00394 -0.15 0.372 0.00819 0.33 0.1275 0.3519 2073352 Maybridge1_007399 N#CCCSc1nc2ccccc2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I08 compound treatment 0.361 -0.00594 -0.23 0.375 0.0112 0.45 0.1592 0.3159 1689513 Maybridge1_007400 Clc1ccc(cc1)N2C(=O)c3ccncc3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I09 compound treatment 0.381 0.0141 0.53 0.386 0.0222 0.89 1.0101 0.9697 1648925 Maybridge1_007401 Nc1ccccc1SC2CC(=O)N(C2=O)c3ccccc3Oc4ccc(Cl)cc4Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I10 compound treatment 0.357 -0.00994 -0.38 0.381 0.0172 0.69 0.2227 0.2823 2073353 Maybridge1_007402 COc1cc(OC)cc(c1)C2NC(CS2)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I11 compound treatment 0.367 6.25E-5 0.0 0.372 0.00819 0.33 0.235 0.7122 2073354 Maybridge1_007403 OC(=O)CCSCSCCC(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I12 compound treatment 0.378 0.0111 0.42 0.361 -0.00281 -0.11 0.2171 0.4987 1184785 Maybridge1_007404 CC1(C)CC2=C(C3CCCCC3O2)C(=O)C1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I13 compound treatment 0.381 0.0141 0.53 0.375 0.0112 0.45 0.6966 0.9964 2073355 Maybridge1_007405 [O-][N+](=O)c1cc(ccc1N2CCSCC2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I14 compound treatment 0.377 0.0101 0.38 0.373 0.00919 0.37 0.5322 0.9999 2073356 Maybridge1_007406 CCOC(=O)C1C(C(C(=O)OCC)C(O)(NC1(O)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I15 compound treatment 0.432 0.0651 2.47 0.448 0.0842 3.39 4.1471 0.9879 1421594 Maybridge1_007407 S=C1SCN(CC2CC2)CN1CC3CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I16 compound treatment 0.374 0.00706 0.27 0.391 0.0272 1.1 0.9645 0.855 2073357 Maybridge1_007408 CCOC(=O)C1C(C(C(=O)OCC)C(O)(NC1(O)C(F)(F)F)C(F)(F)F)c2ccc(cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I17 compound treatment 0.292 -0.0749 -2.85 0.294 -0.0698 -2.81 -4.0029 -1.0 2073358 Maybridge1_007409 [O-][N+](=O)/C=C/c1cc(Br)cs1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I18 compound treatment 0.369 0.00206 0.08 0.366 0.00219 0.09 0.1178 0.9983 2073359 Maybridge1_007410 Clc1ccc(cc1Cl)N2CCCC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I19 compound treatment 0.359 -0.00794 -0.3 0.367 0.00319 0.13 -0.1225 -0.3735 1413447 Maybridge1_007411 OC(=O)COCC(=O)Nc1ccc(I)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I20 compound treatment 0.383 0.0161 0.61 0.371 0.00719 0.29 0.6364 0.942 2073360 Maybridge1_007412 CC(C)(C)c1ccc(cc1)C(=O)N2N=C(Nc3ccccc3)SC2(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I21 compound treatment 0.482 0.115 4.37 0.463 0.0992 4.0 5.9181 0.999 2073361 Maybridge1_007413 C/C(=C\c1ccc2OCOc2c1)/[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I22 compound treatment 0.368 0.00106 0.04 0.369 0.00519 0.21 0.1764 0.8284 2073362 Maybridge1_007414 CCOC(=O)CNc1ccc(OC(F)(F)F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I23 mock treatment 0.374 0.00706 0.27 0.37 0.00619 0.25 0.3661 0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 I24 positive control 0.081 -0.286 -10.87 0.078 -0.286 -11.52 -15.8273 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J01 compound treatment 0.36 -0.00694 -0.26 0.365 0.00119 0.05 -0.1526 -0.5695 2073363 Maybridge1_007415 NC(=O)NCc1ccc(F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J02 compound treatment 0.349 -0.0179 -0.68 0.35 -0.0138 -0.56 -0.8756 -0.9949 1162604 Maybridge1_007416 CNc1scnc1S(=O)(=O)c2ccc(C)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J03 compound treatment 0.344 -0.0229 -0.87 0.355 -0.00881 -0.36 -0.8675 -0.9216 2073364 Maybridge1_007417 CC(C)c1ccc(/C=C/[N+](=O)[O-])cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J04 compound treatment 0.353 -0.0139 -0.53 0.363 -8.12E-4 -0.03 -0.3977 -0.7494 2073365 Maybridge1_007418 Cn1ncc2C(=O)CS(=O)(=O)Cc21 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J05 compound treatment 0.414 0.0471 1.79 0.418 0.0542 2.18 2.8086 0.9951 2073366 Maybridge1_007419 NC(=S)/C(=C/c1ccc(Cl)cc1Cl)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J06 compound treatment 0.355 -0.0119 -0.45 0.365 0.00119 0.05 -0.2869 -0.629 1079133 Maybridge1_007420 Cc1nc(C#N)c(C#N)nc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J07 compound treatment 0.358 -0.00894 -0.34 0.373 0.00919 0.37 0.0216 0.0431 2073367 Maybridge1_007421 CCCCCCCCCCCCSC(=S)c1c(C)nn(c1O)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J08 compound treatment 0.366 -9.38E-4 -0.04 0.37 0.00619 0.25 0.1511 0.6 2073368 Maybridge1_007422 N/C(=N\OC(=O)c1ccc(Cl)cc1)/c2ccc(cc2)c3csnn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J09 compound treatment 0.372 0.00506 0.19 0.367 0.00319 0.13 0.2269 0.9807 1611910 Maybridge1_007423 Cn1c2NCN(Cc2c(=O)n(C)c1=O)C3CC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J10 compound treatment 0.365 -0.00194 -0.07 0.368 0.00419 0.17 0.0673 0.3653 2073369 Maybridge1_007424 NC(=O)CSc1nc2ccc(Cl)cc2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J11 compound treatment 0.378 0.0111 0.42 0.383 0.0192 0.77 0.844 0.959 2073370 Maybridge1_007425 COC(=O)c1nnn(c1O)c2ccc(cc2)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J12 compound treatment 0.365 -0.00194 -0.07 0.372 0.00819 0.33 0.1812 0.5361 2073371 Maybridge1_007426 CCOC(=O)c1cnc2SCCn2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J13 compound treatment 0.355 -0.0119 -0.45 0.366 0.00219 0.09 -0.2584 -0.5592 1205660 Maybridge1_007427 CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J14 compound treatment 0.364 -0.00294 -0.11 0.361 -0.00281 -0.11 -0.1591 -1.0 2073372 Maybridge1_007428 CCOC(=O)c1ncoc1c2cccc(c2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J15 compound treatment 0.352 -0.0149 -0.57 0.357 -0.00681 -0.27 -0.5955 -0.9444 1161071 Maybridge1_007429 Clc1cc(Cl)c2nc(sc2c1)N3CCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J16 compound treatment 0.391 0.0241 0.91 0.379 0.0152 0.61 1.0793 0.9809 2073373 Maybridge1_007430 Cc1ccc(C)n1c2ccc(/C=N/Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J17 compound treatment 0.371 0.00406 0.15 0.346 -0.0178 -0.72 -0.3984 -0.5426 1039635 Maybridge1_007431 Clc1ccc2SCCC(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J18 compound treatment 0.712 0.345 13.11 0.686 0.322 12.98 18.4525 1.0 2073374 Maybridge1_007432 COC(=O)c1sccc1c2ccc(o2)C(=O)/C=C/N(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J19 compound treatment 0.373 0.00606 0.23 0.376 0.0122 0.49 0.5102 0.9405 2073375 Maybridge1_007433 O=C(NC(=O)c1csnn1)Nc2nc3ccccc3s2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J20 compound treatment 0.361 -0.00594 -0.23 0.371 0.00719 0.29 0.0453 0.1233 2073376 Maybridge1_007434 FC(F)(F)Oc1ccc(cc1)C2=NCCc3sccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J21 compound treatment 0.366 -9.38E-4 -0.04 0.372 0.00819 0.33 0.2081 0.6271 1196266 Maybridge1_007435 Cc1noc(C)c1c2nc(CSc3ccccn3)no2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J22 compound treatment 0.364 -0.00294 -0.11 0.376 0.0122 0.49 0.2683 0.5328 2073377 Maybridge1_007436 Cc1c2C(=O)CCn2c3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J23 mock treatment 0.369 0.00206 0.08 0.343 -0.0208 -0.84 -0.5376 -0.6382 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 J24 positive control 0.078 -0.289 -10.98 0.077 -0.287 -11.56 -15.9364 -0.9997 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K01 compound treatment 0.423 0.0561 2.13 0.425 0.0612 2.47 3.2499 0.9974 2073378 Maybridge1_007437 CC1=N/C(=C\c2ccc3OCOc3c2)/C(=O)O1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K02 compound treatment 0.319 -0.0479 -1.82 0.337 -0.0268 -1.08 -2.0521 -0.9689 2073379 Maybridge1_007438 OC(=O)CS/C=C/c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K03 compound treatment 0.339 -0.0279 -1.06 0.355 -0.00881 -0.36 -1.0018 -0.8949 2073380 Maybridge1_007439 Cc1ccc(CSc2ccccc2[N+](=O)[O-])cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K04 compound treatment 0.342 -0.0249 -0.95 0.349 -0.0148 -0.6 -1.0922 -0.9752 1661485 Maybridge1_007440 Cc1cccc(c1O)C2(O)C(=O)c3ccccc3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K05 compound treatment 0.34 -0.0269 -1.02 0.35 -0.0138 -0.56 -1.1174 -0.959 2073381 Maybridge1_007441 O=C(Nc1ccccc1)OCCSc2nc3ccccc3s2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K06 compound treatment 0.365 -0.00194 -0.07 0.352 -0.0118 -0.48 -0.3886 -0.8069 2073382 Maybridge1_007442 COc1cccc(/C=C(\C)/[N+](=O)[O-])c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K07 compound treatment 0.366 -9.38E-4 -0.04 0.368 0.00419 0.17 0.0941 0.5458 2073383 Maybridge1_007443 Cc1cc(Br)c(NC(=S)N)c(Br)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K08 compound treatment 0.365 -0.00194 -0.07 0.379 0.0152 0.61 0.3807 0.6176 2073384 Maybridge1_007444 CC1=CC(=O)N(C1=O)c2ccc(F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K09 compound treatment 0.357 -0.00994 -0.38 0.37 0.00619 0.25 -0.0907 -0.2005 1186215 Maybridge1_007445 OC(=O)CCC(=O)Nc1ccccc1Oc2ccc(Cl)cc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K10 compound treatment 0.362 -0.00494 -0.19 0.373 0.00919 0.37 0.1291 0.3111 2073385 Maybridge1_007446 NC(=S)N/N=C/c1ccc(F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K11 compound treatment 0.578 0.211 8.02 0.581 0.217 8.75 11.86 0.9991 1112791 Maybridge1_007447 COc1ccc(cc1)C(=C2C=CC(=NO)C=C2)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K12 compound treatment 0.368 0.00106 0.04 0.367 0.00319 0.13 0.1194 0.8866 1047662 Maybridge1_007448 C1CN=C(C(=N1)c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K13 compound treatment 0.367 6.25E-5 0.0 0.371 0.00719 0.29 0.2065 0.7129 2073386 Maybridge1_007449 C/C(=N\NC(=O)N)/c1cccs1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K14 compound treatment 0.385 0.0181 0.69 0.382 0.0182 0.73 1.0036 0.9995 2073387 Maybridge1_007450 CCOC(=O)C1C(C(C(=O)OCC)C(O)(NC1(O)C(F)(F)F)C(F)(F)F)c2c(F)cccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K15 compound treatment 0.371 0.00406 0.15 0.367 0.00319 0.13 0.2 0.9958 2073388 Maybridge1_007451 Fc1ccc(cc1Cl)N2C(=O)CSCC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K16 compound treatment 0.373 0.00606 0.23 0.376 0.0122 0.49 0.5102 0.9405 1171426 Maybridge1_007452 CCOC(=O)Nc1cc(ccc1C(=O)OC)C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K17 compound treatment 0.365 -0.00194 -0.07 0.371 0.00719 0.29 0.1527 0.5111 2073389 Maybridge1_007453 CC(C)(CC(=O)O)CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K18 compound treatment 0.689 0.322 12.24 0.681 0.317 12.78 17.692 0.9998 2073390 Maybridge1_007454 CN(C)/N=C/c1ccc(o1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K19 compound treatment 0.366 -9.38E-4 -0.04 0.365 0.00119 0.05 0.0086 0.1449 2073391 Maybridge1_007455 Ic1ccc(cc1)N2C(=O)COCC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K20 compound treatment 0.389 0.0221 0.84 0.377 0.0132 0.53 0.9686 0.9758 1391986 Maybridge1_007456 Cc1ccc(cc1)n2c(SCC(=O)C(C)(C)C)nc3ccc(C)cc3c2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K21 compound treatment 0.365 -0.00194 -0.07 0.361 -0.00281 -0.11 -0.1322 -0.9782 2073392 Maybridge1_007457 NC(=N)SCc1ccc(F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K22 compound treatment 0.366 -9.38E-4 -0.04 0.362 -0.00181 -0.07 -0.0768 -0.9455 1920845 Maybridge1_007458 CCOC(=O)CNc1ccc(I)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K23 mock treatment 0.367 6.25E-5 0.0 0.37 0.00619 0.25 0.178 0.7138 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 K24 positive control 0.082 -0.285 -10.83 0.079 -0.285 -11.48 -15.772 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L01 compound treatment 0.345 -0.0219 -0.83 0.345 -0.0188 -0.76 -1.1255 -0.9989 2073393 Maybridge1_007459 Cc1ccc(OC(=O)c2ccc(cc2)C(F)(F)F)c(NC(=O)c3ccc(cc3)C(F)(F)F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L02 compound treatment 0.328 -0.0389 -1.48 0.333 -0.0308 -1.24 -1.9243 -0.9962 2073394 Maybridge1_007460 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L03 compound treatment 0.362 -0.00494 -0.19 0.378 0.0142 0.57 0.2716 0.4514 2073395 Maybridge1_007461 CC(C)c1ccc(/C=C/2\N=C(OC2=O)c3ccccc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L04 compound treatment 0.342 -0.0249 -0.95 0.344 -0.0198 -0.8 -1.2346 -0.9964 2073396 Maybridge1_007462 Cc1ccc(C)n1c2ccc(cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L05 compound treatment 0.341 -0.0259 -0.99 0.341 -0.0228 -0.92 -1.347 -0.9994 1293252 Maybridge1_007463 COc1ccccc1CNC(=S)NCCO 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L06 compound treatment 0.352 -0.0149 -0.57 0.349 -0.0148 -0.6 -0.8235 -0.9997 1271776 Maybridge1_007464 Clc1ccc(cc1)C2N(CCc3sccc23)C(=O)c4cccs4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L07 compound treatment 0.377 0.0101 0.38 0.386 0.0222 0.89 0.9026 0.9282 2073397 Maybridge1_007465 CC1=NN(C(=O)C1=C2SCCS2)c3ccc(C)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L08 compound treatment 0.357 -0.00994 -0.38 0.362 -0.00181 -0.07 -0.3187 -0.8285 2073398 Maybridge1_007466 NC(=S)c1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L09 compound treatment 0.349 -0.0179 -0.68 0.355 -0.00881 -0.36 -0.7331 -0.9538 1495976 Maybridge1_007467 Cn1c2NCN(CCO)Cc2c(=O)n(C)c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L10 compound treatment 0.365 -0.00194 -0.07 0.363 -8.12E-4 -0.03 -0.0752 -0.9334 2073399 Maybridge1_007468 CCOC(=O)c1cc(C)nn1c2nc3ccc(Cl)cc3s2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L11 compound treatment 0.358 -0.00894 -0.34 0.367 0.00319 0.13 -0.1493 -0.4113 1483326 Maybridge1_007469 COc1ccc(cc1)c2nnn(c2N)c3cc(Cl)cc(Cl)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L12 compound treatment 0.355 -0.0119 -0.45 0.364 1.88E-4 0.01 -0.3154 -0.6952 1268448 Maybridge1_007470 O=C(Nc1ccccc1)c2ncoc2c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L13 compound treatment 0.356 -0.0109 -0.42 0.367 0.00319 0.13 -0.2031 -0.4668 2073400 Maybridge1_007471 CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L14 compound treatment 0.359 -0.00794 -0.3 0.362 -0.00181 -0.07 -0.2649 -0.8537 2073401 Maybridge1_007472 Fc1ccc2OC/C(=C\c3ccc(Cl)cc3)/C(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L15 compound treatment 0.355 -0.0119 -0.45 0.358 -0.00581 -0.23 -0.4864 -0.9527 2073402 Maybridge1_007473 FC(F)(F)c1ccc(cc1)c2nn[nH]n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L16 compound treatment 0.361 -0.00594 -0.23 0.359 -0.00481 -0.19 -0.2967 -0.9972 2073403 Maybridge1_007474 Cc1oc(nc1c2ccccc2)C(=O)NN 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L17 compound treatment 0.366 -9.38E-4 -0.04 0.366 0.00219 0.09 0.0371 0.3906 2073404 Maybridge1_007475 CC1c2snnc2-c3cc(Cl)ccc3S1(=O)=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L18 compound treatment 0.376 0.00906 0.34 0.37 0.00619 0.25 0.4198 0.9874 2073405 Maybridge1_007476 Cc1n[nH]cc1c2nsc(Nc3ccccc3)n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L19 compound treatment 0.359 -0.00794 -0.3 0.358 -0.00581 -0.23 -0.3789 -0.9922 2073406 Maybridge1_007477 c1snnc1c2nc(no2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L20 compound treatment 0.376 0.00906 0.34 0.368 0.00419 0.17 0.3628 0.9461 1345036 Maybridge1_007478 COC(=O)C1=C(C)NC(=C(C1c2ccc(OC)cc2)C(=O)OC)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L21 compound treatment 0.353 -0.0139 -0.53 0.361 -0.00281 -0.11 -0.4547 -0.8394 2073407 Maybridge1_007479 Cc1ccc(cc1)c2cnco2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L22 compound treatment 0.363 -0.00394 -0.15 0.359 -0.00481 -0.19 -0.2429 -0.9918 2073408 Maybridge1_007480 N#Cc1ccc(s1)c2ccon2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L23 mock treatment 0.367 6.25E-5 0.0 0.362 -0.00181 -0.07 -0.05 -0.6838 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 L24 positive control 0.082 -0.285 -10.83 0.077 -0.287 -11.56 -15.829 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M01 compound treatment 0.329 -0.0379 -1.44 0.34 -0.0238 -0.96 -1.6979 -0.9804 2073409 Maybridge1_007481 CC(=O)N1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M02 compound treatment 0.322 -0.0449 -1.71 0.331 -0.0328 -1.32 -2.1425 -0.992 2073410 Maybridge1_007482 OC(=O)CS(=O)(=O)/C=C/c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M03 compound treatment 0.326 -0.0409 -1.56 0.336 -0.0278 -1.12 -1.8925 -0.9871 2073411 Maybridge1_007483 CC(C)(C)NNC(=S)Nc1cccc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M04 compound treatment 0.299 -0.0679 -2.58 0.338 -0.0258 -1.04 -2.561 -0.9201 2073412 Maybridge1_007484 [O-][N+](=O)/C=C/c1ccc(cc1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M05 compound treatment 0.33 -0.0369 -1.4 0.338 -0.0258 -1.04 -1.728 -0.9891 2073413 Maybridge1_007485 Clc1ccc(NC(=O)OCCSc2nc3ccccc3s2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M06 compound treatment 0.337 -0.0299 -1.14 0.343 -0.0208 -0.84 -1.3975 -0.9887 2073414 Maybridge1_007486 NC(=S)Nc1ccc(Cl)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M07 compound treatment 0.344 -0.0229 -0.87 0.355 -0.00881 -0.36 -0.8675 -0.9216 2073415 Maybridge1_007487 COc1ccc(cc1)C2Oc3ccccc3C=C2[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M08 compound treatment 0.377 0.0101 0.38 0.388 0.0242 0.97 0.9596 0.9165 2073416 Maybridge1_007488 Clc1ccc(c(Cl)c1)c2nc3ccc(I)cc3c(=O)o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M09 compound treatment 0.346 -0.0209 -0.8 0.356 -0.00781 -0.31 -0.7852 -0.9177 1268324 Maybridge1_007489 Clc1ccc(Oc2ccccc2N3C(=O)CCC3=O)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M10 compound treatment 0.354 -0.0129 -0.49 0.355 -0.00881 -0.36 -0.5987 -0.9872 1089151 Maybridge1_007490 c1ccc(cc1)c2nnc(nc2c3ccccc3)c4ccccn4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M11 compound treatment 0.357 -0.00994 -0.38 0.36 -0.00381 -0.15 -0.3757 -0.9214 1067264 Maybridge1_007491 COc1ccc(CC(=O)NN)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M12 compound treatment 0.355 -0.0119 -0.45 0.362 -0.00181 -0.07 -0.3724 -0.8105 1034877 Maybridge1_007492 c1ccc(cc1)c2nccnc2c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M13 compound treatment 0.37 0.00306 0.12 0.374 0.0102 0.41 0.3726 0.8732 2073417 Maybridge1_007493 Fc1cccc(Cl)c1/C=C/2\NC(=S)NC2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M14 compound treatment 0.371 0.00406 0.15 0.375 0.0112 0.45 0.4279 0.8981 2073418 Maybridge1_007494 OCC12COC(N2C(OC1)c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M15 compound treatment 0.359 -0.00794 -0.3 0.353 -0.0108 -0.44 -0.5214 -0.9839 2073419 Maybridge1_007495 OC(=O)COCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M16 compound treatment 0.36 -0.00694 -0.26 0.354 -0.00981 -0.4 -0.466 -0.9806 1413903 Maybridge1_007496 Cc1csc2c(=O)n(CCO)c(=O)[nH]c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M17 compound treatment 0.357 -0.00994 -0.38 0.362 -0.00181 -0.07 -0.3187 -0.8285 1267085 Maybridge1_007497 COc1ccc(OC)c(NC(=O)CSCC(=O)O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M18 compound treatment 0.363 -0.00394 -0.15 0.365 0.00119 0.05 -0.072 -0.4581 1066415 Maybridge1_007498 O=C1Nc2ccccc2C31OCCO3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M19 compound treatment 0.385 0.0181 0.69 0.394 0.0302 1.22 1.3455 0.9633 2073420 Maybridge1_007499 [O-][N+](=O)/C=C/c1ccsc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M20 compound treatment 0.366 -9.38E-4 -0.04 0.359 -0.00481 -0.19 -0.1623 -0.8232 1255373 Maybridge1_007500 O=C1NC2(CCN(Cc3ccccc3)CC2)Oc4ccccc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M21 compound treatment 0.359 -0.00794 -0.3 0.364 1.88E-4 0.01 -0.2079 -0.6892 1912573 Maybridge1_007501 NC(=N)SCc1ccccc1F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M22 compound treatment 0.351 -0.0159 -0.61 0.352 -0.0118 -0.48 -0.7648 -0.9929 1525218 Maybridge1_007502 CCOC(=O)CNc1ccc(F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M23 mock treatment 0.367 6.25E-5 0.0 0.368 0.00419 0.17 0.121 0.717 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 M24 positive control 0.085 -0.282 -10.71 0.08 -0.284 -11.44 -15.6629 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N01 compound treatment 0.329 -0.0379 -1.44 0.339 -0.0248 -1.0 -1.7264 -0.984 2073421 Maybridge1_007503 Clc1ccc(OC(=O)c2cc(Cl)cc(Cl)c2)c(NC(=O)c3cc(Cl)cc(Cl)c3)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N02 compound treatment 0.322 -0.0449 -1.71 0.329 -0.0348 -1.4 -2.1995 -0.9952 1603122 Maybridge1_007504 OC(=O)C1CN(C(=O)C1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N03 compound treatment 0.324 -0.0429 -1.63 0.331 -0.0328 -1.32 -2.0887 -0.9946 2073422 Maybridge1_007505 Oc1nc(c2cccs2)n(n1)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N04 compound treatment 0.328 -0.0389 -1.48 0.339 -0.0248 -1.0 -1.7533 -0.9818 2073423 Maybridge1_007506 Cc1cc(C(=O)C(F)(F)F)c(C)n1c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N05 compound treatment 0.333 -0.0339 -1.29 0.339 -0.0248 -1.0 -1.6189 -0.9921 2073424 Maybridge1_007507 Cc1ccc(Cn2nn[nH]c2=S)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N06 compound treatment 0.342 -0.0249 -0.95 0.345 -0.0188 -0.76 -1.2061 -0.9939 1190115 Maybridge1_007508 Cc1cc(C(=O)O)c(C)n1c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N07 compound treatment 0.363 -0.00394 -0.15 0.391 0.0272 1.1 0.6689 0.6049 2073425 Maybridge1_007509 Clc1ccc(/C=C\2/Cc3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N08 compound treatment 0.359 -0.00794 -0.3 0.363 -8.12E-4 -0.03 -0.2364 -0.7793 2073426 Maybridge1_007510 COc1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N09 compound treatment 0.375 0.00806 0.31 0.387 0.0232 0.93 0.8774 0.8922 2073427 Maybridge1_007511 O=C1/C(=C/c2cccs2)/CCc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N10 compound treatment 0.353 -0.0139 -0.53 0.359 -0.00481 -0.19 -0.5116 -0.9071 2073428 Maybridge1_007512 CC1Sc2ccc(Cl)cc2-c3nc(N)ncc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N11 compound treatment 0.352 -0.0149 -0.57 0.364 1.88E-4 0.01 -0.396 -0.6976 1348357 Maybridge1_007513 COc1ccc(cc1)c2nnn(c2N)c3ccc(Cl)cc3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N12 compound treatment 0.361 -0.00594 -0.23 0.364 1.88E-4 0.01 -0.1542 -0.683 1575425 Maybridge1_007514 OC(=O)c1cnc2SCCn2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N13 compound treatment 0.36 -0.00694 -0.26 0.365 0.00119 0.05 -0.1526 -0.5695 1083393 Maybridge1_007515 CSc1nsc(SC)c1C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N14 compound treatment 0.355 -0.0119 -0.45 0.369 0.00519 0.21 -0.173 -0.3463 2073429 Maybridge1_007516 CC(C)(C)c1ccc(s1)C(=O)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N15 compound treatment 0.36 -0.00694 -0.26 0.359 -0.00481 -0.19 -0.3235 -0.9886 2073430 Maybridge1_007517 NNC(=O)Cn1nnc(n1)c2ccc(cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N16 compound treatment 0.497 0.13 4.94 0.501 0.137 5.53 7.4039 0.9984 2073431 Maybridge1_007518 CCOC(=O)c1c(N)c(sc1Nc2ccccc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N17 compound treatment 0.361 -0.00594 -0.23 0.361 -0.00281 -0.11 -0.2397 -0.9493 2073432 Maybridge1_007519 Clc1ccc2c(c1)C(=O)CCS2(=O)=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N18 compound treatment 0.369 0.00206 0.08 0.372 0.00819 0.33 0.2887 0.8514 2073433 Maybridge1_007520 N/C(=N/OC(=O)c1ccsc1)/COc2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N19 compound treatment 0.361 -0.00594 -0.23 0.369 0.00519 0.21 -0.0117 -0.0381 2073434 Maybridge1_007521 Cc1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N20 compound treatment 0.37 0.00306 0.12 0.375 0.0112 0.45 0.4011 0.8614 1631791 Maybridge1_007522 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2ccc(OC)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N21 compound treatment 0.37 0.00306 0.12 0.375 0.0112 0.45 0.4011 0.8614 1614300 Maybridge1_007523 Fc1cccc(Cl)c1C(=O)Nc2ccc(cc2)c3csnn3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N22 compound treatment 0.368 0.00106 0.04 0.373 0.00919 0.37 0.2903 0.7796 2073435 Maybridge1_007524 COC(=O)c1nn(c(O)c1N=Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N23 mock treatment 0.372 0.00506 0.19 0.368 0.00419 0.17 0.2554 0.9979 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 N24 positive control 0.083 -0.284 -10.79 0.077 -0.287 -11.56 -15.8021 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O01 compound treatment 0.314 -0.0529 -2.01 0.334 -0.0298 -1.2 -2.272 -0.9696 1596156 Maybridge1_007525 Clc1ccc(cc1)N2C(SCC2=O)c3cccnc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O02 compound treatment 0.332 -0.0349 -1.33 0.334 -0.0298 -1.2 -1.7883 -0.9988 2073436 Maybridge1_007526 OC(=O)CCS/C=C/c1ccccc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O03 compound treatment 0.312 -0.0549 -2.09 0.32 -0.0438 -1.77 -2.7246 -0.9965 2073437 Maybridge1_007527 COc1cccc(NC(=S)NNC(C)(C)C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O04 compound treatment 0.322 -0.0449 -1.71 0.323 -0.0408 -1.64 -2.3704 -0.9998 2073438 Maybridge1_007528 CCOc1cc(=O)oc2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O05 compound treatment 0.32 -0.0469 -1.78 0.328 -0.0358 -1.44 -2.2817 -0.9945 1250787 Maybridge1_007529 O=C1CSC(N1Cc2cccs2)c3cccnc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O06 compound treatment 0.33 -0.0369 -1.4 0.335 -0.0288 -1.16 -1.8135 -0.9956 2073439 Maybridge1_007530 NC(=O)NCc1cccc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O07 compound treatment 0.344 -0.0229 -0.87 0.354 -0.00981 -0.4 -0.8959 -0.9361 2073440 Maybridge1_007531 [O-][N+](=O)C1=Cc2ccccc2OC1c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O08 compound treatment 0.36 -0.00694 -0.26 0.373 0.00919 0.37 0.0754 0.1658 2073441 Maybridge1_007532 OC(=O)c1cc(I)ccc1NC(=O)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O09 compound treatment 0.335 -0.0319 -1.21 0.344 -0.0198 -0.8 -1.4227 -0.9794 2073442 Maybridge1_007533 CSc1ccccc1NCN2C(=O)c3ccccc3C2=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O10 compound treatment 0.352 -0.0149 -0.57 0.346 -0.0178 -0.72 -0.9089 -0.9932 2073443 Maybridge1_007534 c1ccc(nc1)c2nnc(c3ccccn3)c(n2)c4ccccn4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O11 compound treatment 0.342 -0.0249 -0.95 0.35 -0.0138 -0.56 -1.0637 -0.9678 1400974 Maybridge1_007535 COc1ccc(Cc2nnc(S)n2c3ccc(Cl)cc3)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O12 compound treatment 0.35 -0.0169 -0.64 0.36 -0.00381 -0.15 -0.5638 -0.852 1019170 Maybridge1_007536 CC(=O)c1cc2ccccc2o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O13 compound treatment 0.347 -0.0199 -0.76 0.359 -0.00481 -0.19 -0.6729 -0.8604 1516762 Maybridge1_007537 COc1cc(cc(OC)c1OC)C(CC(=O)O)CC(=O)Nc2cc(C)on2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O14 compound treatment 0.356 -0.0109 -0.42 0.365 0.00119 0.05 -0.2601 -0.6216 2073444 Maybridge1_007538 Cc1cccc(NC2=NC(CO)(CO)CS2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O15 compound treatment 0.362 -0.00494 -0.19 0.357 -0.00681 -0.27 -0.3268 -0.9828 1732801 Maybridge1_007539 CCOC(=O)CCn1c(=S)n(CCC(=O)OCC)c2ccccc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O16 compound treatment 0.364 -0.00294 -0.11 0.371 0.00719 0.29 0.1259 0.4055 2073445 Maybridge1_007540 FC(F)(F)c1ccc(/C=C/2\Cc3ccccc3C2=O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O17 compound treatment 0.362 -0.00494 -0.19 0.366 0.00219 0.09 -0.0703 -0.3393 2073446 Maybridge1_007541 CC1CCC2C(C1)C(=O)N(C2=O)c3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O18 compound treatment 0.451 0.0841 3.19 0.427 0.0632 2.55 4.0593 0.9937 2073447 Maybridge1_007542 COc1cccc(/C=C(\C#N)/C(=O)c2ccc(cc2)C(C)(C)C)c1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O19 compound treatment 0.357 -0.00994 -0.38 0.364 1.88E-4 0.01 -0.2617 -0.6928 2073448 Maybridge1_007543 CCOC(=O)C1=C(C)NC(=S)NC1c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O20 compound treatment 0.37 0.00306 0.12 0.367 0.00319 0.13 0.1731 0.9988 2073449 Maybridge1_007544 COc1ccc(OC)c(C=C2C(=O)OC(C)(C)OC2=O)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O21 compound treatment 0.364 -0.00294 -0.11 0.365 0.00119 0.05 -0.0451 -0.3713 2073450 Maybridge1_007545 NC(=N)SCc1c(F)cccc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O22 compound treatment 0.363 -0.00394 -0.15 0.367 0.00319 0.13 -0.015 -0.076 1081745 Maybridge1_007546 CCOC(=O)CNc1ccc(cc1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O23 mock treatment 0.372 0.00506 0.19 0.363 -8.12E-4 -0.03 0.1129 0.5784 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 O24 positive control 0.088 -0.279 -10.6 0.08 -0.284 -11.44 -15.5823 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P01 compound treatment 0.317 -0.0499 -1.9 0.325 -0.0388 -1.56 -2.4478 -0.9954 2073451 Maybridge1_007547 Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)c(OC(=O)c3ccc(cc3)C(F)(F)F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P02 compound treatment 0.319 -0.0479 -1.82 0.325 -0.0388 -1.56 -2.394 -0.9971 2073452 Maybridge1_007548 NC(=N)SCc1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P03 compound treatment 0.334 -0.0329 -1.25 0.338 -0.0258 -1.04 -1.6206 -0.9958 2073453 Maybridge1_007549 COc1ccc(/N=C/2\SCC(=NN2C)c3ccccc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P04 compound treatment 0.333 -0.0339 -1.29 0.347 -0.0168 -0.68 -1.391 -0.9548 2073454 Maybridge1_007550 N#Cc1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P05 compound treatment 0.396 0.0291 1.1 0.396 0.0322 1.3 1.6981 0.9968 1928310 Maybridge1_007551 COc1cccc(/C=C\2/N=C(OC2=O)c3ccc(NC(=O)C)cc3)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P06 compound treatment 0.373 0.00606 0.23 0.379 0.0152 0.61 0.5957 0.9109 2073455 Maybridge1_007552 Cc1cccc(Cl)c1/C=N/NC(=S)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P07 compound treatment 0.348 -0.0189 -0.72 0.367 0.00319 0.13 -0.418 -0.5719 2073456 Maybridge1_007553 O=C1/C(=C/c2ccccn2)/CCc3ccccc13 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P08 compound treatment 0.365 -0.00194 -0.07 0.362 -0.00181 -0.07 -0.1037 -1.0 1363727 Maybridge1_007554 NC(=O)c1ccc(cc1)c2csnn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P09 compound treatment 0.375 0.00806 0.31 0.371 0.00719 0.29 0.4214 0.9996 2073457 Maybridge1_007555 COc1ccc2C(=O)/C(=C/c3ccc(C)cc3)/CCc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P10 compound treatment 0.404 0.0371 1.41 0.382 0.0182 0.73 1.5141 0.9537 1449237 Maybridge1_007556 Clc1ccc(NC(=O)c2ccc(cc2)c3csnn3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P11 compound treatment 0.353 -0.0139 -0.53 0.355 -0.00881 -0.36 -0.6256 -0.9811 2073458 Maybridge1_007557 CS/C(=N/C#N)/Nc1ccc(cc1)C(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P12 compound treatment 0.358 -0.00894 -0.34 0.366 0.00219 0.09 -0.1778 -0.5068 2073459 Maybridge1_007558 OC(=O)CCOc1ccc(F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P13 compound treatment 0.361 -0.00594 -0.23 0.375 0.0112 0.45 0.1592 0.3159 1108926 Maybridge1_007559 CSc1nsc(SC)c1C(=O)N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P14 compound treatment 0.364 -0.00294 -0.11 0.369 0.00519 0.21 0.0689 0.2907 2073460 Maybridge1_007560 Cc1cc(oc(=O)c1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P15 compound treatment 0.362 -0.00494 -0.19 0.368 0.00419 0.17 -0.0134 -0.0529 2073461 Maybridge1_007561 N=C(NNC(=O)Nc1ccccc1)c2ccccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P16 compound treatment 0.367 6.25E-5 0.0 0.367 0.00319 0.13 0.0925 0.7201 2073462 Maybridge1_007562 Cc1nc(C)c(o1)c2ccnc(n2)c3ccc(cc3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P17 compound treatment 0.378 0.0111 0.42 0.382 0.0182 0.73 0.8155 0.9652 1574791 Maybridge1_007563 CCOC(=O)C1CSC(=C(C)N1)C(=O)OCC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P18 compound treatment 0.367 6.25E-5 0.0 0.377 0.0132 0.53 0.3774 0.7103 1137432 Maybridge1_007564 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2ccsc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P19 compound treatment 0.366 -9.38E-4 -0.04 0.371 0.00719 0.29 0.1796 0.6155 2073463 Maybridge1_007565 CC(C)(C)S(=O)(=O)/C(=C/c1ccc(F)cc1F)/C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P20 compound treatment 0.372 0.00506 0.19 0.369 0.00519 0.21 0.2838 0.9991 2073464 Maybridge1_007566 FC(F)(F)Oc1ccc(cc1)C2NCCc3sccc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P21 compound treatment 0.34 -0.0269 -1.02 0.343 -0.0208 -0.84 -1.3169 -0.9951 1381208 Maybridge1_007567 CS(=O)(=O)c1nsc(c1C(=O)N)S(=O)(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P22 compound treatment 0.37 0.00306 0.12 0.362 -0.00181 -0.07 0.0306 0.223 2073465 Maybridge1_007568 CCOC(=O)c1cnc2ccc(cn2c1=O)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P23 mock treatment 0.373 0.00606 0.23 0.366 0.00219 0.09 0.2252 0.9131 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.562 P24 positive control 0.09 -0.277 -10.52 0.081 -0.283 -11.4 -15.5 -0.9992 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A01 compound treatment 0.374 0.0104 0.4 0.379 0.0124 0.5 0.6331 0.9936 2073466 Maybridge1_007569 Clc1ccc(OS(=O)(=O)c2ccc(s2)c3ccc(s3)S(=O)(=O)Oc4ccc(Cl)c(Cl)c4)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A02 compound treatment 0.351 -0.0126 -0.48 0.354 -0.0126 -0.51 -0.6973 -0.9995 2073467 Maybridge1_007570 COC(=O)c1ccc(CO/N=C(\N)/c2cc(Cl)c(N)c(Cl)c2)o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A03 compound treatment 0.343 -0.0206 -0.78 0.349 -0.0176 -0.71 -1.0547 -0.9989 2073468 Maybridge1_007571 CN(C)S(=O)(=O)Oc1ccc(C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A04 compound treatment 0.36 -0.00356 -0.14 0.35 -0.0166 -0.67 -0.5694 -0.8332 2073469 Maybridge1_007572 Cc1nn(c(O)c1N=Nc2cccc(c2)C(F)(F)F)c3cccc(Cl)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A05 compound treatment 0.357 -0.00656 -0.25 0.357 -0.00962 -0.39 -0.4506 -0.9772 2073470 Maybridge1_007573 CC(=O)Nc1ccccc1OCC(O)CNCc2ccc(cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A06 compound treatment 0.352 -0.0116 -0.44 0.359 -0.00762 -0.31 -0.528 -0.9847 1226336 Maybridge1_007574 NNC(=O)Cc1csc(n1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A07 compound treatment 0.378 0.0144 0.55 0.384 0.0174 0.7 0.883 0.9927 1488274 Maybridge1_007575 NC(=S)Nc1ccncc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A08 compound treatment 0.357 -0.00656 -0.25 0.362 -0.00462 -0.19 -0.3081 -0.9897 2073471 Maybridge1_007576 CCOC(=O)c1c(C)nn(c1C)c2ccc(cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A09 compound treatment 0.37 0.00644 0.24 0.362 -0.00462 -0.19 0.0412 0.134 2073472 Maybridge1_007577 NC(=O)c1sc(C#N)c(c1c2ccccc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A10 compound treatment 0.388 0.0244 0.93 0.389 0.0224 0.9 1.2942 0.9999 2073473 Maybridge1_007578 OCCSc1ccc(C#N)cc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A11 compound treatment 0.381 0.0174 0.66 0.39 0.0234 0.94 1.1346 0.9852 2073474 Maybridge1_007579 Fc1ccc(cc1)c2csc(Nc3cccnc3)n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A12 compound treatment 0.366 0.00244 0.09 0.363 -0.00362 -0.15 -0.0378 -0.2185 1655148 Maybridge1_007580 Fc1cccc(F)c1C(=O)N2CCC(CC2)C(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A13 compound treatment 0.361 -0.00256 -0.1 0.359 -0.00762 -0.31 -0.2861 -0.8877 2073475 Maybridge1_007581 OC(=O)c1c[nH]c2c(c(sc2c1=O)C(F)(F)F)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A14 compound treatment 0.36 -0.00356 -0.14 0.349 -0.0176 -0.71 -0.5979 -0.827 2073476 Maybridge1_007582 CC1(C)C2CCC1(CS(=O)(=O)NCc3ccc(cc3)C(F)(F)F)C(=O)C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A15 compound treatment 0.365 0.00144 0.05 0.361 -0.00562 -0.23 -0.1217 -0.5218 2073477 Maybridge1_007583 Brc1cc(sc1Br)S(=O)(=O)N2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A16 compound treatment 0.357 -0.00656 -0.25 0.355 -0.0116 -0.47 -0.5076 -0.9565 2073478 Maybridge1_007584 Cc1ccc(cc1)S(=O)(=O)NC(=O)NNC(=O)c2ccsc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A17 compound treatment 0.36 -0.00356 -0.14 0.36 -0.00662 -0.27 -0.2845 -0.9505 2073479 Maybridge1_007585 Nc1nc(ncc1C#N)c2ccncc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A18 compound treatment 0.357 -0.00656 -0.25 0.357 -0.00962 -0.39 -0.4506 -0.9772 1513083 Maybridge1_007586 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCOCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A19 compound treatment 0.565 0.201 7.65 0.576 0.209 8.44 11.3787 0.9988 2073480 Maybridge1_007587 Cc1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A20 compound treatment 0.361 -0.00256 -0.1 0.355 -0.0116 -0.47 -0.4001 -0.8362 2073481 Maybridge1_007588 CCOC(=O)c1c(C)nn(c1C)c2ncccc2[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A21 compound treatment 0.435 0.0714 2.71 0.424 0.0574 2.31 3.5544 0.9968 2073482 Maybridge1_007589 O=C1CSC(=N1)Cc2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A22 compound treatment 0.355 -0.00856 -0.33 0.353 -0.0136 -0.55 -0.6183 -0.9688 2073483 Maybridge1_007590 COc1ccc2cc(ccc2c1)/C(=N/Oc3ncccc3[N+](=O)[O-])/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A23 mock treatment 0.363 -5.63E-4 -0.02 0.365 -0.00162 -0.07 -0.0614 -0.8916 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 A24 positive control 0.072 -0.292 -11.08 0.072 -0.295 -11.87 -16.2296 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B01 compound treatment 0.382 0.0184 0.7 0.374 0.00738 0.3 0.7056 0.9271 2073484 Maybridge1_007591 COc1cc(CC(=O)NN)c(cc1OC)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B02 compound treatment 0.355 -0.00856 -0.33 0.345 -0.0216 -0.87 -0.8463 -0.9098 2073485 Maybridge1_007592 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2c(Cl)cc(cc2Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B03 compound treatment 0.356 -0.00756 -0.29 0.364 -0.00262 -0.11 -0.278 -0.9078 2073486 Maybridge1_007593 COC(=O)c1cccn1c2ccccc2[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B04 compound treatment 0.369 0.00544 0.21 0.368 0.00138 0.06 0.1853 0.8661 2073487 Maybridge1_007594 Cc1ccc(N/N=C/2\C(=O)Nc3ccc(F)cc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B05 compound treatment 0.346 -0.0176 -0.67 0.356 -0.0106 -0.43 -0.7747 -0.977 2073488 Maybridge1_007595 CCOC(=O)c1c(C)nn(c1C)c2ncccc2N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B06 compound treatment 0.352 -0.0116 -0.44 0.348 -0.0186 -0.75 -0.8414 -0.9675 2073489 Maybridge1_007596 CC/C(=N\OC(=O)c1cccc(c1)C(F)(F)F)/c2ccc(cc2)c3ccccc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B07 compound treatment 0.36 -0.00356 -0.14 0.354 -0.0126 -0.51 -0.4555 -0.8652 2073490 Maybridge1_007597 CC(=O)c1ccc(OCc2cc(F)cc(F)c2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B08 compound treatment 0.354 -0.00956 -0.36 0.352 -0.0146 -0.59 -0.6737 -0.973 2073491 Maybridge1_007598 Fc1ccccc1c2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B09 compound treatment 0.361 -0.00256 -0.1 0.355 -0.0116 -0.47 -0.4001 -0.8362 1021442 Maybridge1_007599 OC(C1CCCCC1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B10 compound treatment 0.363 -5.63E-4 -0.02 0.365 -0.00162 -0.07 -0.0614 -0.8916 1194389 Maybridge1_007600 NC(=S)Nc1ccccc1N2CCOCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B11 compound treatment 0.367 0.00344 0.13 0.361 -0.00562 -0.23 -0.0679 -0.2596 2073492 Maybridge1_007601 NC(=S)C1(CC1)c2ccc(Cl)cc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B12 compound treatment 0.363 -5.63E-4 -0.02 0.36 -0.00662 -0.27 -0.2039 -0.7613 1411788 Maybridge1_007602 Cc1sc(Nc2ccccc2N3CCOCC3)nc1c4ccc(cc4)c5ccccc5F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B13 compound treatment 0.356 -0.00756 -0.29 0.355 -0.0116 -0.47 -0.5345 -0.9725 2073493 Maybridge1_007603 CCOC(=O)Nc1cc(Cl)cc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B14 compound treatment 0.359 -0.00456 -0.17 0.362 -0.00462 -0.19 -0.2544 -0.9993 2073494 Maybridge1_007604 COc1ccc(/C=N/c2ccc(OC)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B15 compound treatment 0.361 -0.00256 -0.1 0.357 -0.00962 -0.39 -0.3431 -0.858 2073495 Maybridge1_007605 Clc1sc(cc1Br)S(=O)(=O)N2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B16 compound treatment 0.358 -0.00556 -0.21 0.354 -0.0126 -0.51 -0.5092 -0.9243 1351444 Maybridge1_007606 Cc1ccc(c2csc(N)n2)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B17 compound treatment 0.561 0.197 7.5 0.577 0.21 8.48 11.2997 0.9981 2073496 Maybridge1_007607 FC(F)(F)Oc1ccccc1NN=C(C#N)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B18 compound treatment 0.358 -0.00556 -0.21 0.355 -0.0116 -0.47 -0.4807 -0.9354 2073497 Maybridge1_007608 CC(C)(NC(=O)c1ccc(cc1)c2ccccc2F)C#C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B19 compound treatment 0.358 -0.00556 -0.21 0.355 -0.0116 -0.47 -0.4807 -0.9354 2073498 Maybridge1_007609 Cc1csc(n1)c2c(Cl)cc(cc2Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B20 compound treatment 0.358 -0.00556 -0.21 0.351 -0.0156 -0.63 -0.5947 -0.8954 2073499 Maybridge1_007610 COc1cccc(c1)N2C=CC(C)(C)NC2=S 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B21 compound treatment 0.363 -5.63E-4 -0.02 0.361 -0.00562 -0.23 -0.1754 -0.7704 1620872 Maybridge1_007611 OC(=O)c1cccn1c2ccccc2C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B22 compound treatment 0.356 -0.00756 -0.29 0.357 -0.00962 -0.39 -0.4775 -0.9891 1602815 Maybridge1_007612 COC(=O)c1cc(NC(=O)c2c(C)noc2C)ccc1N3CCOCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B23 mock treatment 0.36 -0.00356 -0.14 0.364 -0.00262 -0.11 -0.1705 -0.9926 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 B24 positive control 0.071 -0.293 -11.12 0.07 -0.297 -11.95 -16.3134 -0.9993 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C01 compound treatment 0.367 0.00344 0.13 0.366 -6.25E-4 -0.03 0.0746 0.5605 2073500 Maybridge1_007613 CN(/N=C/c1ccccc1)c2ncc(cc2Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C02 compound treatment 0.35 -0.0136 -0.52 0.345 -0.0216 -0.87 -0.9806 -0.9686 1201110 Maybridge1_007614 COc1cc(Cl)c(NC(=O)C)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C03 compound treatment 0.343 -0.0206 -0.78 0.346 -0.0206 -0.83 -1.1402 -0.9995 2073501 Maybridge1_007615 Cc1cc(cc(C)c1C#N)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C04 compound treatment 0.365 0.00144 0.05 0.373 0.00638 0.26 0.2203 0.8387 2073502 Maybridge1_007616 NC(=N)Sc1cnc2ccccc2n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C05 compound treatment 0.336 -0.0276 -1.05 0.34 -0.0266 -1.07 -1.4993 -0.9999 2073503 Maybridge1_007617 COc1ccc(OS(=O)(=O)c2sc(Br)cc2Br)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C06 compound treatment 0.461 0.0974 3.7 0.462 0.0954 3.84 5.3358 0.9998 2073504 Maybridge1_007618 [O-][N+](=O)c1cc(cc2c1nc3ccccn32)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C07 compound treatment 0.361 -0.00256 -0.1 0.368 0.00138 0.06 -0.0297 -0.2649 2073505 Maybridge1_007619 Fc1ccc(cc1)c2cc3ccccc3[nH]2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C08 compound treatment 0.359 -0.00456 -0.17 0.362 -0.00462 -0.19 -0.2544 -0.9993 2073506 Maybridge1_007620 CCOC(=O)c1c(C)nn(c1C)c2ccc(N)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C09 compound treatment 0.357 -0.00656 -0.25 0.346 -0.0206 -0.83 -0.764 -0.8805 1003495 Maybridge1_007621 c1ccc(cc1)c2nnsc2c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C10 compound treatment 0.356 -0.00756 -0.29 0.351 -0.0156 -0.63 -0.6484 -0.9369 2073507 Maybridge1_007622 Fc1ccc(cc1Cl)C(=O)c2ccc(F)c(Cl)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C11 compound treatment 0.366 0.00244 0.09 0.357 -0.00962 -0.39 -0.2088 -0.5235 2073508 Maybridge1_007623 Brc1cccc(c1)c2csc(Nc3cccnc3)n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C12 compound treatment 0.361 -0.00256 -0.1 0.358 -0.00862 -0.35 -0.3146 -0.8717 1218712 Maybridge1_007624 Cc1onc(c1C(=O)N2CCC(CC2)C(=O)c3ccccc3)c4c(Cl)cccc4Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C13 compound treatment 0.358 -0.00556 -0.21 0.35 -0.0166 -0.67 -0.6232 -0.8871 2073509 Maybridge1_007625 CC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C14 compound treatment 0.352 -0.0116 -0.44 0.348 -0.0186 -0.75 -0.8414 -0.9675 2073510 Maybridge1_007626 N#CN=C(Oc1ccccc1)Oc2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C15 compound treatment 0.344 -0.0196 -0.74 0.351 -0.0156 -0.63 -0.9709 -0.9966 2073511 Maybridge1_007627 CN(C)S(=O)(=O)c1cc(Br)c(Br)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C16 compound treatment 0.346 -0.0176 -0.67 0.359 -0.00762 -0.31 -0.6892 -0.938 1282569 Maybridge1_007628 Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C17 compound treatment 0.349 -0.0146 -0.55 0.359 -0.00762 -0.31 -0.6086 -0.9615 2073512 Maybridge1_007629 CC(C)(C)c1nc(c2ccc(cc2)C(F)(F)F)c3c(cccc3n1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C18 compound treatment 0.349 -0.0146 -0.55 0.353 -0.0136 -0.55 -0.7795 -1.0 2073513 Maybridge1_007630 CCOC(=O)c1cc(C)n(c1c2ccccc2)c3cccc(c3)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C19 compound treatment 0.338 -0.0256 -0.97 0.341 -0.0256 -1.03 -1.417 -0.9995 2073514 Maybridge1_007631 FC(F)(F)c1cc(Cl)c(N/N=C/c2cccs2)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C20 compound treatment 0.359 -0.00456 -0.17 0.357 -0.00962 -0.39 -0.3969 -0.9341 2073515 Maybridge1_007632 OC(=O)/C=C/C(=O)Nc1ccc(cc1)n2nc(cc2C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C21 compound treatment 0.382 0.0184 0.7 0.36 -0.00662 -0.27 0.3067 0.409 2073516 Maybridge1_007633 CCNCC(=O)Nc1c(C)cccc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C22 compound treatment 0.354 -0.00956 -0.36 0.353 -0.0136 -0.55 -0.6452 -0.9799 2073517 Maybridge1_007634 COCCCNC(=S)N/N=C/c1ccc[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C23 mock treatment 0.354 -0.00956 -0.36 0.358 -0.00862 -0.35 -0.5027 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 C24 positive control 0.072 -0.292 -11.08 0.073 -0.294 -11.83 -16.2011 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D01 compound treatment 0.358 -0.00556 -0.21 0.363 -0.00362 -0.15 -0.2528 -0.9837 2073518 Maybridge1_007635 FC(F)(F)c1cc(cc(c1)S(=O)(=O)n2cccc2C(=O)c3ccccc3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D02 compound treatment 0.346 -0.0176 -0.67 0.344 -0.0226 -0.91 -1.1166 -0.9882 2073519 Maybridge1_007636 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2c(Cl)cc(Cl)cc2C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D03 compound treatment 0.342 -0.0216 -0.82 0.342 -0.0246 -0.99 -1.2811 -0.9955 2073520 Maybridge1_007637 Fc1cc(F)cc(COC(=O)c2c(F)cccc2F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D04 compound treatment 0.455 0.0914 3.47 0.457 0.0904 3.64 5.0322 0.9997 2073521 Maybridge1_007638 Fc1ccc2NC(=O)/C(=N\N3CCOCC3)/c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D05 compound treatment 0.348 -0.0156 -0.59 0.342 -0.0246 -0.99 -1.1198 -0.9694 2073522 Maybridge1_007639 COC(=O)c1cccn1c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D06 compound treatment 0.356 -0.00756 -0.29 0.353 -0.0136 -0.55 -0.5914 -0.9544 2073523 Maybridge1_007640 CC/C(=N\OC(=O)c1cccs1)/c2ccc(cc2)c3ccccc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D07 compound treatment 0.351 -0.0126 -0.48 0.356 -0.0106 -0.43 -0.6403 -0.9985 2073524 Maybridge1_007641 CC(=O)c1coc2ccccc2c1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D08 compound treatment 0.377 0.0134 0.51 0.372 0.00538 0.22 0.5142 0.9271 1437052 Maybridge1_007642 Fc1ccccc1c2ccc(cc2)C(=O)Nc3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D09 compound treatment 0.341 -0.0226 -0.86 0.333 -0.0336 -1.35 -1.5644 -0.9756 2073525 Maybridge1_007643 OC(c1cccs1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D10 compound treatment 0.365 0.00144 0.05 0.355 -0.0116 -0.47 -0.2926 -0.6204 2073526 Maybridge1_007644 NC(=S)Nc1cc(Cl)cc(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D11 compound treatment 0.546 0.182 6.93 0.552 0.185 7.47 10.1843 0.9993 2073527 Maybridge1_007645 COC(=O)c1cc(ccc1N2CCOCC2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D12 compound treatment 0.354 -0.00956 -0.36 0.356 -0.0106 -0.43 -0.5597 -0.9967 2073528 Maybridge1_007646 CN(C)/C=C/1\CSc2ccc(F)cc2C1=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D13 compound treatment 0.352 -0.0116 -0.44 0.354 -0.0126 -0.51 -0.6704 -0.9973 1033621 Maybridge1_007647 CCOC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D14 compound treatment 0.348 -0.0156 -0.59 0.35 -0.0166 -0.67 -0.8919 -0.9981 2073529 Maybridge1_007648 N#Cc1cnc2CCCCc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D15 compound treatment 0.351 -0.0126 -0.48 0.353 -0.0136 -0.55 -0.7258 -0.9976 2073530 Maybridge1_007649 CCOC(=O)C1CCN(CC1)S(=O)(=O)c2sc(Cl)cc2Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D16 compound treatment 0.352 -0.0116 -0.44 0.362 -0.00462 -0.19 -0.4425 -0.9271 2073531 Maybridge1_007650 Cc1nc(cs1)c2ccc(C)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D17 compound treatment 0.356 -0.00756 -0.29 0.355 -0.0116 -0.47 -0.5345 -0.9725 2073532 Maybridge1_007651 COC(=O)CCCCCCCC(=O)Nc1ccc(cc1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D18 compound treatment 0.346 -0.0176 -0.67 0.346 -0.0206 -0.83 -1.0596 -0.9941 2073533 Maybridge1_007652 Cc1ccc(cc1)c2csc(NC(=N)N)n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D19 compound treatment 0.358 -0.00556 -0.21 0.353 -0.0136 -0.55 -0.5377 -0.9139 2073534 Maybridge1_007653 Cc1ccc(cc1)C(=O)C2CCN(CC2)S(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D20 compound treatment 0.358 -0.00556 -0.21 0.359 -0.00762 -0.31 -0.3667 -0.9833 2073535 Maybridge1_007654 Fc1ccc2c(c1)C(=O)CCS2(=O)=O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D21 compound treatment 0.358 -0.00556 -0.21 0.349 -0.0176 -0.71 -0.6517 -0.8794 2073536 Maybridge1_007655 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)CC4(CC5CC6CC(C5)C4)C6 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D22 compound treatment 0.339 -0.0246 -0.93 0.341 -0.0256 -1.03 -1.3902 -0.9987 2073537 Maybridge1_007656 FC(F)(F)c1cc(Oc2ccc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2)cc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D23 mock treatment 0.36 -0.00356 -0.14 0.355 -0.0116 -0.47 -0.427 -0.8756 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 D24 positive control 0.073 -0.291 -11.04 0.074 -0.293 -11.79 -16.1457 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E01 compound treatment 0.368 0.00444 0.17 0.37 0.00338 0.14 0.2154 0.9943 2073538 Maybridge1_007657 CN(NC(=O)c1ccccc1Cl)c2ncc(Cl)cc2C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E02 compound treatment 0.356 -0.00756 -0.29 0.348 -0.0186 -0.75 -0.7339 -0.9132 1341856 Maybridge1_007658 COc1ccc(Nc2c(Cl)cc(OC)cc2Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E03 compound treatment 0.353 -0.0106 -0.4 0.353 -0.0136 -0.55 -0.6721 -0.9881 2073539 Maybridge1_007659 OC(=O)CSCC(=O)N1CCc2c([nH]c3ccccc23)C1C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E04 compound treatment 0.374 0.0104 0.4 0.383 0.0164 0.66 0.7471 0.9703 2073540 Maybridge1_007660 FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E05 compound treatment 0.347 -0.0166 -0.63 0.344 -0.0226 -0.91 -1.0897 -0.9836 2073541 Maybridge1_007661 C(/N=C/c1cccs1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E06 compound treatment 0.356 -0.00756 -0.29 0.361 -0.00562 -0.23 -0.3635 -0.9931 2073542 Maybridge1_007662 CNc1nc(CC(=O)C)ns1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E07 compound treatment 0.371 0.00744 0.28 0.377 0.0104 0.42 0.4955 0.9818 2073543 Maybridge1_007663 Fc1ccc(cc1Cl)c2cc3ccccc3[nH]2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E08 compound treatment 0.38 0.0164 0.62 0.365 -0.00162 -0.07 0.3954 0.6295 2073544 Maybridge1_007664 Nc1ccc(cc1)n2nc(cc2C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E09 compound treatment 0.377 0.0134 0.51 0.359 -0.00762 -0.31 0.1438 0.2413 1168457 Maybridge1_007665 COc1ccc(cc1)c2c(C#N)sc(C(=O)N)c2c3ccc(OC)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E10 compound treatment 0.381 0.0174 0.66 0.38 0.0134 0.54 0.8497 0.9947 1033735 Maybridge1_007666 Fc1ccccc1NC(=S)Nc2ccccc2F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E11 compound treatment 0.367 0.00344 0.13 0.36 -0.00662 -0.27 -0.0964 -0.3244 2073545 Maybridge1_007667 Cc1noc(c1C(=O)O/N=C(\N)/c2cccc(c2)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E12 compound treatment 0.37 0.00644 0.24 0.366 -6.25E-4 -0.03 0.1552 0.631 2073546 Maybridge1_007668 FC(F)(F)Oc1ccc(cc1)C2CC(=O)Nc3ccccc3S2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E13 compound treatment 0.366 0.00244 0.09 0.365 -0.00162 -0.07 0.0192 0.1692 2073547 Maybridge1_007669 Fc1ccc(cc1)/C(=N/OC(=O)c2sc3sccc3c2Cl)/C4CC4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E14 compound treatment 0.375 0.0114 0.43 0.367 3.75E-4 0.02 0.318 0.7312 2073548 Maybridge1_007670 CCOC(=O)c1cc(C)n(N(C)c2cc(ccn2)C(F)(F)F)c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E15 compound treatment 0.371 0.00744 0.28 0.366 -6.25E-4 -0.03 0.182 0.6416 2073549 Maybridge1_007671 CCOC(=O)c1sc(nc1C)c2cnccn2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E16 compound treatment 0.364 4.37E-4 0.02 0.361 -0.00562 -0.23 -0.1485 -0.6535 2073550 Maybridge1_007672 Cc1ccc(cc1)S(=O)(=O)NC(=O)NNc2c(Cl)cc(Cl)cc2C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E17 compound treatment 0.37 0.00644 0.24 0.357 -0.00962 -0.39 -0.1013 -0.2209 2073551 Maybridge1_007673 N/C(=N\O)/c1cnc(nc1N)c2ccncc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E18 compound treatment 0.389 0.0254 0.97 0.37 0.00338 0.14 0.7797 0.7987 2073552 Maybridge1_007674 CCOC(=O)c1cc(C)n(c1c2ccccc2)c3cccc(Cl)c3Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E19 compound treatment 0.362 -0.00156 -0.06 0.356 -0.0106 -0.43 -0.3447 -0.7975 2073553 Maybridge1_007675 CS(=O)(=O)c1ccc(s1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E20 compound treatment 0.367 0.00344 0.13 0.36 -0.00662 -0.27 -0.0964 -0.3244 2073554 Maybridge1_007676 COc1ccc2cc(ccc2c1)/C(=N/OC(=O)c3cccs3)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E21 compound treatment 0.37 0.00644 0.24 0.364 -0.00262 -0.11 0.0982 0.3684 2073555 Maybridge1_007677 NS(=O)(=O)c1ccc(s1)c2ccon2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E22 compound treatment 0.357 -0.00656 -0.25 0.364 -0.00262 -0.11 -0.2511 -0.9271 1006361 Maybridge1_007678 NNC(=O)c1ccccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E23 mock treatment 0.362 -0.00156 -0.06 0.365 -0.00162 -0.07 -0.0883 -0.9988 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 E24 positive control 0.075 -0.289 -10.97 0.075 -0.292 -11.75 -16.0635 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F01 compound treatment 0.384 0.0204 0.78 0.373 0.00638 0.26 0.7308 0.8934 2073556 Maybridge1_007679 COc1ccc(cc1)c2ccc(C=C(C#N)C#N)s2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F02 compound treatment 0.354 -0.00956 -0.36 0.353 -0.0136 -0.55 -0.6452 -0.9799 2073557 Maybridge1_007680 Fc1ccc2SCCC(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F03 compound treatment 0.334 -0.0296 -1.12 0.342 -0.0246 -0.99 -1.496 -0.9981 2073558 Maybridge1_007681 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCc2cc(F)cc(F)c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F04 compound treatment 0.389 0.0254 0.97 0.397 0.0304 1.22 1.549 0.9932 2073559 Maybridge1_007682 CN(/N=C/1\C(=O)Nc2ccc(F)cc12)c3ncc(cc3Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F05 compound treatment 0.367 0.00344 0.13 0.371 0.00438 0.18 0.217 0.9891 2073560 Maybridge1_007683 Oc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F06 compound treatment 0.348 -0.0156 -0.59 0.349 -0.0176 -0.71 -0.9204 -0.9959 2073561 Maybridge1_007684 CC/C(=N\OC(=O)CC1(CC2CC3CC(C2)C1)C3)/c4ccc(cc4)c5ccccc5F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F07 compound treatment 0.589 0.225 8.57 0.568 0.201 8.11 11.7957 0.9996 2073562 Maybridge1_007685 COc1cc(/C=C/2\COC/C(=C\c3ccc(O)c(OC)c3)/C2=O)ccc1O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F08 compound treatment 0.386 0.0224 0.85 0.374 0.00738 0.3 0.8131 0.9004 2073563 Maybridge1_007686 CC/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/c2ccc(cc2)c3ccccc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F09 compound treatment 0.4 0.0364 1.38 0.373 0.00638 0.26 1.1608 0.8242 2073564 Maybridge1_007687 CC(C)c1ccc(C)c2c(/C=N\Nc3ccc(cc3)[N+](=O)[O-])cc(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F10 compound treatment 0.371 0.00744 0.28 0.377 0.0104 0.42 0.4955 0.9818 2073565 Maybridge1_007688 Cc1sc(Nc2ccc(cc2)C(F)(F)F)nc1c3ccc(cc3)c4ccccc4F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F11 compound treatment 0.357 -0.00656 -0.25 0.348 -0.0186 -0.75 -0.707 -0.894 1738910 Maybridge1_007689 COC(=O)c1cc(NC(=O)c2ccco2)ccc1N3CCOCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F12 compound treatment 0.349 -0.0146 -0.55 0.347 -0.0196 -0.79 -0.9505 -0.9848 2073566 Maybridge1_007690 NC(=S)N/N=C/1\CCSc2ccc(F)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F13 compound treatment 0.36 -0.00356 -0.14 0.35 -0.0166 -0.67 -0.5694 -0.8332 2073567 Maybridge1_007691 CCOC(=O)Nc1ccsc1C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F14 compound treatment 0.358 -0.00556 -0.21 0.354 -0.0126 -0.51 -0.5092 -0.9243 2073568 Maybridge1_007692 CC(=O)C/C(=N/c1ccc(cc1)C(F)(F)F)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F15 compound treatment 0.494 0.13 4.96 0.484 0.117 4.73 6.8495 0.9997 415 Maybridge1_007693 FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F16 compound treatment 0.357 -0.00656 -0.25 0.347 -0.0196 -0.79 -0.7355 -0.887 2073569 Maybridge1_007694 Fc1ccc2SCC/C(=N\OS(=O)(=O)c3ccc(Cl)cc3)/c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F17 compound treatment 0.588 0.224 8.53 0.581 0.214 8.64 12.1392 1.0 2073570 Maybridge1_007695 Clc1cc(Cl)cc(NN=C(C#N)C#N)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F18 compound treatment 0.356 -0.00756 -0.29 0.344 -0.0226 -0.91 -0.8479 -0.887 2073571 Maybridge1_007696 Cc1ccc(c2csc(NC(=N)N)n2)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F19 compound treatment 0.362 -0.00156 -0.06 0.368 0.00138 0.06 -0.0028 -0.0346 1507272 Maybridge1_007697 Cc1ccc(cc1)C(=O)C2CCN(CC2)S(=O)(=O)c3ccc(Cl)c(Cl)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F20 compound treatment 0.347 -0.0166 -0.63 0.348 -0.0186 -0.75 -0.9757 -0.9962 2073572 Maybridge1_007698 Cc1ccc(c2csc(n2)c3ccccc3)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F21 compound treatment 0.356 -0.00756 -0.29 0.35 -0.0166 -0.67 -0.6769 -0.9286 1275457 Maybridge1_007699 COc1ccc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F22 compound treatment 0.358 -0.00556 -0.21 0.338 -0.0286 -1.15 -0.9651 -0.823 2073573 Maybridge1_007700 FC(F)(F)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F23 mock treatment 0.356 -0.00756 -0.29 0.363 -0.00362 -0.15 -0.3065 -0.9508 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 F24 positive control 0.073 -0.291 -11.04 0.077 -0.29 -11.67 -16.0602 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G01 compound treatment 0.355 -0.00856 -0.33 0.355 -0.0116 -0.47 -0.5613 -0.9841 2073574 Maybridge1_007701 CCOC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G02 compound treatment 0.361 -0.00256 -0.1 0.355 -0.0116 -0.47 -0.4001 -0.8362 2073575 Maybridge1_007702 FC(F)(F)c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cc(Cl)c(Cl)s3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G03 compound treatment 0.612 0.248 9.44 0.606 0.239 9.65 13.4965 0.9999 2073576 Maybridge1_007703 Cc1nn(C)c(O)c1N=Nc2ccc(F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G04 compound treatment 0.366 0.00244 0.09 0.369 0.00238 0.1 0.1332 0.9999 2073577 Maybridge1_007704 c1csc(c1)c2ccc(s2)c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G05 compound treatment 0.5 0.136 5.18 0.489 0.122 4.93 7.1531 0.9997 2073578 Maybridge1_007705 FC(F)(F)c1cccc(N/N=C(\C#N)/C(=O)c2ccsc2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G06 compound treatment 0.35 -0.0136 -0.52 0.354 -0.0126 -0.51 -0.7242 -1.0 2073579 Maybridge1_007706 COC(=O)c1cc(Br)cc(Br)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G07 compound treatment 0.42 0.0564 2.14 0.417 0.0504 2.03 2.9519 0.9996 2073580 Maybridge1_007707 CSc1sccc1/C=C(/C#N)\S(=O)(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G08 compound treatment 0.36 -0.00356 -0.14 0.363 -0.00362 -0.15 -0.199 -0.9993 1579600 Maybridge1_007708 O=C1CC(Sc2ccccc2N1)c3ccsc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G09 compound treatment 0.353 -0.0106 -0.4 0.355 -0.0116 -0.47 -0.6151 -0.997 2073581 Maybridge1_007709 O/N=C/c1c([nH]c2ccccc12)c3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G10 compound treatment 0.355 -0.00856 -0.33 0.35 -0.0166 -0.67 -0.7038 -0.945 2073582 Maybridge1_007710 Fc1ccccc1NC(=S)N2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G11 compound treatment 0.358 -0.00556 -0.21 0.351 -0.0156 -0.63 -0.5947 -0.8954 2073583 Maybridge1_007711 Cc1noc(c1c2nc(no2)c3ccc(Cl)cc3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G12 compound treatment 0.38 0.0164 0.62 0.377 0.0104 0.42 0.7373 0.9809 2073584 Maybridge1_007712 [O-][N+](=O)c1cc(ccc1N2CCC(CC2)C(=O)c3ccccc3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G13 compound treatment 0.366 0.00244 0.09 0.373 0.00638 0.26 0.2471 0.905 1092357 Maybridge1_007713 NC(=S)c1cncnc1N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G14 compound treatment 0.353 -0.0106 -0.4 0.354 -0.0126 -0.51 -0.6436 -0.9931 2073585 Maybridge1_007714 CCSc1ccc(C#N)cn1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G15 compound treatment 0.359 -0.00456 -0.17 0.35 -0.0166 -0.67 -0.5963 -0.8617 2073586 Maybridge1_007715 N/C(=N\O)/c1cncnc1N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G16 compound treatment 0.349 -0.0146 -0.55 0.354 -0.0126 -0.51 -0.751 -0.9991 2073587 Maybridge1_007716 CCSc1ccc(cn1)c2noc(n2)c3cccc(c3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G17 compound treatment 0.35 -0.0136 -0.52 0.35 -0.0166 -0.67 -0.8381 -0.9916 1983516 Maybridge1_007717 CSc1ccc(s1)C(=O)O 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G18 compound treatment 0.361 -0.00256 -0.1 0.371 0.00438 0.18 0.0558 0.2771 2073588 Maybridge1_007718 COc1ccc(OC)c(NS(=O)(=O)c2cc(ccc2OCC(F)(F)F)C(F)(F)F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G19 compound treatment 0.356 -0.00756 -0.29 0.356 -0.0106 -0.43 -0.506 -0.9812 2073589 Maybridge1_007719 OC(=O)CCC(=O)N1CCc2c([nH]c3ccccc23)C1C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G20 compound treatment 0.383 0.0194 0.74 0.37 0.00338 0.14 0.6185 0.8235 2073590 Maybridge1_007720 COc1ccc2cc(ccc2c1)/C(=N/OC(=O)Nc3ccc(OC(F)(F)F)cc3)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G21 compound treatment 0.359 -0.00456 -0.17 0.358 -0.00862 -0.35 -0.3684 -0.9484 2073591 Maybridge1_007721 COc1ccc(cc1)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G22 compound treatment 0.391 0.0274 1.04 0.39 0.0234 0.94 1.4033 0.9987 2073592 Maybridge1_007722 Oc1cc2cc(O)[nH]c(=O)c2c(=O)[nH]1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G23 mock treatment 0.361 -0.00256 -0.1 0.362 -0.00462 -0.19 -0.2006 -0.9542 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 G24 positive control 0.075 -0.289 -10.97 0.075 -0.292 -11.75 -16.0635 -0.9994 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H01 compound treatment 0.368 0.00444 0.17 0.369 0.00238 0.1 0.1869 0.964 2073593 Maybridge1_007723 COC(=O)c1cccn1c2ccc(F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H02 compound treatment 0.404 0.0404 1.54 0.402 0.0354 1.43 2.0946 0.9993 2073594 Maybridge1_007724 FC(F)(F)c1ccc(Cl)c(c1)c2ccc(C=C(C#N)C#N)o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H03 compound treatment 0.353 -0.0106 -0.4 0.355 -0.0116 -0.47 -0.6151 -0.997 2073595 Maybridge1_007725 NC(=O)N/N=C/c1cc(F)cc(F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H04 compound treatment 0.358 -0.00556 -0.21 0.359 -0.00762 -0.31 -0.3667 -0.9833 2073596 Maybridge1_007726 Fc1ccc2NC(=O)/C(=N\CC3CC3)/c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H05 compound treatment 0.43 0.0664 2.52 0.437 0.0704 2.84 3.7905 0.9983 2073597 Maybridge1_007727 COc1cccc(/C=N/Nc2ncccc2[N+](=O)[O-])c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H06 compound treatment 0.395 0.0314 1.19 0.381 0.0144 0.58 1.2544 0.9448 2073598 Maybridge1_007728 CC/C(=N\OC(=O)Nc1ccc(OC(F)(F)F)cc1)/c2ccc(cc2)c3ccccc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H07 compound treatment 0.435 0.0714 2.71 0.41 0.0434 1.75 3.1555 0.9773 2073599 Maybridge1_007729 CCOC(=O)c1c(C)nn(c1C)c2ncccc2NC(=S)NC(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H08 compound treatment 0.397 0.0334 1.27 0.378 0.0114 0.46 1.2226 0.9051 2073600 Maybridge1_007730 Cc1sc(Nc2ccccc2)nc1c3ccc(cc3)c4ccccc4F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H09 compound treatment 0.383 0.0194 0.74 0.394 0.0274 1.1 1.3023 0.981 2073601 Maybridge1_007731 N/C(=N\O)/c1cnn2c(ccnc12)c3cccc(c3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H10 compound treatment 0.416 0.0524 1.99 0.404 0.0374 1.51 2.474 0.9905 1287144 Maybridge1_007732 Cc1sc(nc1c2ccc(cc2)c3ccccc3F)N4CCOCC4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H11 compound treatment 0.373 0.00944 0.36 0.385 0.0184 0.74 0.7772 0.9446 2073602 Maybridge1_007733 NC(=S)c1cnn2c(ccnc12)c3cccc(c3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H12 compound treatment 0.404 0.0404 1.54 0.399 0.0324 1.3 2.0091 0.9967 2073603 Maybridge1_007734 O/N=C\c1c2ccccc2c(Sc3ccc(Cl)cc3)c4ccccc14 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H13 compound treatment 0.814 0.45 17.12 0.806 0.439 17.71 24.6232 0.9999 2073604 Maybridge1_007735 CN(C)c1ccc(C=C(C#N)C#N)c(F)c1C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H14 compound treatment 0.339 -0.0246 -0.93 0.346 -0.0206 -0.83 -1.2477 -0.9983 1025801 Maybridge1_007736 CC(=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H15 compound treatment 0.373 0.00944 0.36 0.36 -0.00662 -0.27 0.0648 0.145 2073605 Maybridge1_007737 COC(=O)CCCCCCCC(=O)Nc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H16 compound treatment 0.359 -0.00456 -0.17 0.361 -0.00562 -0.23 -0.2829 -0.9912 2073606 Maybridge1_007738 Fc1cc(F)c2OCCC(=O)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H17 compound treatment 0.369 0.00544 0.21 0.371 0.00438 0.18 0.2708 0.9969 2073607 Maybridge1_007739 COC(=O)CCCCCCCC(=O)Nc1ccc(OC)cc1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H18 compound treatment 0.356 -0.00756 -0.29 0.362 -0.00462 -0.19 -0.335 -0.978 2073608 Maybridge1_007740 OC(=O)C(Cc1ccccc1)NCCC#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H19 compound treatment 0.373 0.00944 0.36 0.363 -0.00362 -0.15 0.1503 0.3881 1337126 Maybridge1_007741 Cc1noc(C)c1S(=O)(=O)N2CCC(CC2)C(=O)c3ccc(C)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H20 compound treatment 0.366 0.00244 0.09 0.371 0.00438 0.18 0.1902 0.9549 2073609 Maybridge1_007742 FC(F)(F)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)n3nc(cc3C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H21 compound treatment 0.373 0.00944 0.36 0.366 -6.25E-4 -0.03 0.2358 0.6558 1449635 Maybridge1_007743 Clc1cccc(CNC(=O)CC2(CC3CC4CC(C3)C2)C4)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H22 compound treatment 0.371 0.00744 0.28 0.365 -0.00162 -0.07 0.1535 0.5293 2073610 Maybridge1_007744 FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(Oc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H23 mock treatment 0.372 0.00844 0.32 0.37 0.00338 0.14 0.3229 0.9271 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 H24 positive control 0.074 -0.29 -11.0 0.075 -0.292 -11.75 -16.0904 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I01 compound treatment 0.37 0.00644 0.24 0.365 -0.00162 -0.07 0.1267 0.5002 1379773 Maybridge1_007745 OC(=O)c1coc2CCCC(=O)c12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I02 compound treatment 0.351 -0.0126 -0.48 0.348 -0.0186 -0.75 -0.8683 -0.9761 2073611 Maybridge1_007746 Cc1cc(cc(c1)/C(=N/O)/N)/C(=N/O)/N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I03 compound treatment 0.507 0.143 5.45 0.503 0.136 5.5 7.7402 1.0 2073612 Maybridge1_007747 Cc1nn(C)c(O)c1N=Nc2ccc(Br)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I04 compound treatment 0.343 -0.0206 -0.78 0.354 -0.0126 -0.51 -0.9123 -0.9784 2073613 Maybridge1_007748 CC(=O)c1sc(nc1C)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I05 compound treatment 0.355 -0.00856 -0.33 0.353 -0.0136 -0.55 -0.6183 -0.9688 2073614 Maybridge1_007749 Brc1ccsc1C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I06 compound treatment 0.357 -0.00656 -0.25 0.357 -0.00962 -0.39 -0.4506 -0.9772 2073615 Maybridge1_007750 NC(=O)c1cc(Br)cc(Br)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I07 compound treatment 0.384 0.0204 0.78 0.353 -0.0136 -0.55 0.1609 0.1692 2073616 Maybridge1_007751 CC(CCc1ccccc1)C/C=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I08 compound treatment 0.38 0.0164 0.62 0.355 -0.0116 -0.47 0.1104 0.1415 1060484 Maybridge1_007752 Cc1ccc(cc1)n2cccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I09 compound treatment 0.49 0.126 4.8 0.482 0.115 4.65 6.685 0.9999 2073617 Maybridge1_007753 NC(=S)N/N=C/c1cc2COc3ccc(Cl)cc3-c2s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I10 compound treatment 0.376 0.0124 0.47 0.353 -0.0136 -0.55 -0.054 -0.0746 1320459 Maybridge1_007754 OC(=O)C1CCCN1C(=O)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I11 compound treatment 0.378 0.0144 0.55 0.355 -0.0116 -0.47 0.0567 0.0786 2073618 Maybridge1_007755 COC(=O)c1csc(c1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I12 compound treatment 0.454 0.0904 3.44 0.467 0.1 4.04 5.2902 0.9967 2073619 Maybridge1_007756 COC(=O)C(=NNc1ccc(cc1)n2nc(C)cc2C)C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I13 compound treatment 0.375 0.0114 0.43 0.383 0.0164 0.66 0.7739 0.9795 2073620 Maybridge1_007757 Clc1cccc(c1)C2CC(=O)CC(=O)C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I14 compound treatment 0.364 4.37E-4 0.02 0.364 -0.00262 -0.11 -0.063 -0.5887 2073621 Maybridge1_007758 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I15 compound treatment 0.379 0.0154 0.59 0.368 0.00138 0.06 0.454 0.7705 2073622 Maybridge1_007759 NC(=S)c1sccc1Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I16 compound treatment 0.359 -0.00456 -0.17 0.356 -0.0106 -0.43 -0.4253 -0.9208 2073623 Maybridge1_007760 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cn2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I17 compound treatment 0.36 -0.00356 -0.14 0.365 -0.00162 -0.07 -0.142 -0.9444 2073624 Maybridge1_007761 O=S(=O)(CC#N)c1ccsc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I18 compound treatment 0.366 0.00244 0.09 0.371 0.00438 0.18 0.1902 0.9549 2073625 Maybridge1_007762 CC(C)(C)c1ccc(cc1)C(=O)c2ccc3CCCc3c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I19 compound treatment 0.395 0.0314 1.19 0.377 0.0104 0.42 1.1404 0.901 2073626 Maybridge1_007763 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)CSc4ccc(cn4)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I20 compound treatment 0.375 0.0114 0.43 0.371 0.00438 0.18 0.432 0.921 2073627 Maybridge1_007764 COc1ccc2cc(ccc2c1)/C(=N/OC(=O)Nc3ccccc3)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I21 compound treatment 0.368 0.00444 0.17 0.368 0.00138 0.06 0.1584 0.8925 2073628 Maybridge1_007765 CCOc1cc(cnc1C#N)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I22 compound treatment 0.366 0.00244 0.09 0.365 -0.00162 -0.07 0.0192 0.1692 2073629 Maybridge1_007766 Fc1cccc(Cl)c1C/N=C/c2c(F)cccc2Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I23 mock treatment 0.369 0.00544 0.21 0.374 0.00738 0.3 0.3563 0.9842 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 I24 positive control 0.075 -0.289 -10.97 0.077 -0.29 -11.67 -16.0065 -0.9995 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J01 compound treatment 0.358 -0.00556 -0.21 0.364 -0.00262 -0.11 -0.2243 -0.9488 2073630 Maybridge1_007767 FC(F)(F)c1ccc(NC2OC(=O)c3ccccc23)c(Cl)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J02 compound treatment 0.356 -0.00756 -0.29 0.361 -0.00562 -0.23 -0.3635 -0.9931 2073631 Maybridge1_007768 FC(F)(F)Oc1ccccc1c2ccc(C=C3C(=O)c4ccccc4C3=O)o2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J03 compound treatment 0.353 -0.0106 -0.4 0.326 -0.0406 -1.64 -1.4414 -0.8552 2073632 Maybridge1_007769 NC(=S)N/N=C/c1cc(F)cc(F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J04 compound treatment 0.375 0.0114 0.43 0.367 3.75E-4 0.02 0.318 0.7312 2073633 Maybridge1_007770 Fc1ccc2NC(=O)/C(=N\c3ccc(Cl)cc3)/c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J05 compound treatment 0.356 -0.00756 -0.29 0.357 -0.00962 -0.39 -0.4775 -0.9891 2073634 Maybridge1_007771 Cc1cc(C)n(n1)c2ncccc2[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J06 compound treatment 0.358 -0.00556 -0.21 0.357 -0.00962 -0.39 -0.4237 -0.9593 2073635 Maybridge1_007772 CC/C(=N\OC(=O)NS(=O)(=O)c1ccc(C)cc1)/c2ccc(cc2)c3ccccc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J07 compound treatment 0.395 0.0314 1.19 0.397 0.0304 1.22 1.7103 0.9999 1678399 Maybridge1_007773 Cc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3ccc(C)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J08 compound treatment 0.392 0.0284 1.08 0.384 0.0174 0.7 1.2592 0.9779 2073636 Maybridge1_007774 Cc1ccc(C)n1c2ccc(OC(F)(F)F)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J09 compound treatment 0.43 0.0664 2.52 0.414 0.0474 1.91 3.1351 0.9905 2073637 Maybridge1_007775 CC(C)c1ccc(C)c2c(N=Nc3ccc(Cl)cc3)cc(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J10 compound treatment 0.401 0.0374 1.42 0.392 0.0254 1.02 1.729 0.9869 2073638 Maybridge1_007776 Cc1sc(nc1c2ccc(cc2)c3ccccc3F)c4ccsc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J11 compound treatment 0.372 0.00844 0.32 0.383 0.0164 0.66 0.6933 0.945 2073639 Maybridge1_007777 FC(F)(F)c1cccc(c1)c2ccnc3cc(nn23)c4nc(cs4)c5ccc(Cl)cc5 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J12 compound treatment 0.383 0.0194 0.74 0.362 -0.00462 -0.19 0.3905 0.5126 1365785 Maybridge1_007778 COC(=O)Cc1nc(Nc2ccccc2)sc1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J13 compound treatment 0.37 0.00644 0.24 0.371 0.00438 0.18 0.2976 0.9871 2073640 Maybridge1_007779 Clc1sc(cc1Br)S(=O)(=O)N2CCOCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J14 compound treatment 0.372 0.00844 0.32 0.357 -0.00962 -0.39 -0.0475 -0.0945 1597624 Maybridge1_007780 CCOc1ccc(CCCC(=O)O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J15 compound treatment 0.369 0.00544 0.21 0.365 -0.00162 -0.07 0.0998 0.4605 1715742 Maybridge1_007781 COc1ccc(CNCc2ccc(OC)cc2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J16 compound treatment 0.366 0.00244 0.09 0.364 -0.00262 -0.11 -0.0093 -0.0661 2073641 Maybridge1_007782 Cc1nnsc1C(=O)O/N=C/2\CCSc3ccc(F)cc23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J17 compound treatment 0.364 4.37E-4 0.02 0.378 0.0114 0.46 0.3359 0.7323 2073642 Maybridge1_007783 COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc3ccc(Cl)cc3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J18 compound treatment 0.367 0.00344 0.13 0.361 -0.00562 -0.23 -0.0679 -0.2596 2073643 Maybridge1_007784 Cc1ccc(cc1)c2csc(n2)c3ccc(Cl)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J19 compound treatment 0.375 0.0114 0.43 0.362 -0.00462 -0.19 0.1756 0.3712 1570246 Maybridge1_007785 Clc1ccc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J20 compound treatment 0.373 0.00944 0.36 0.372 0.00538 0.22 0.4067 0.9708 2073644 Maybridge1_007786 FC(F)(F)c1cc(n(n1)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J21 compound treatment 0.373 0.00944 0.36 0.361 -0.00562 -0.23 0.0933 0.2199 2073645 Maybridge1_007787 CCOC(=O)Cc1nn[nH]n1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J22 compound treatment 0.369 0.00544 0.21 0.362 -0.00462 -0.19 0.0143 0.0515 2073646 Maybridge1_007788 FC(F)(F)c1cc(Oc2ccc(NC(=S)NC(=O)c3ccccc3)cc2)cc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J23 mock treatment 0.368 0.00444 0.17 0.368 0.00138 0.06 0.1584 0.8925 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 J24 positive control 0.075 -0.289 -10.97 0.079 -0.288 -11.59 -15.9495 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K01 compound treatment 0.354 -0.00956 -0.36 0.362 -0.00462 -0.19 -0.3887 -0.9519 2073647 Maybridge1_007789 CN(/N=C/1\CCCc2occ(C(=O)O)c12)c3ncc(Cl)cc3C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K02 compound treatment 0.342 -0.0216 -0.82 0.349 -0.0176 -0.71 -1.0816 -0.9975 2073648 Maybridge1_007790 [O-][N+](=O)c1cccnc1ON=C(c2cccs2)c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K03 compound treatment 0.387 0.0234 0.89 0.385 0.0184 0.74 1.1534 0.9958 2073649 Maybridge1_007791 Cc1nn(C)c(O)c1N=Nc2ccccc2OC(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K04 compound treatment 0.351 -0.0126 -0.48 0.35 -0.0166 -0.67 -0.8113 -0.9862 2073650 Maybridge1_007792 COc1cc(CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K05 compound treatment 0.344 -0.0196 -0.74 0.346 -0.0206 -0.83 -1.1134 -0.9985 2073651 Maybridge1_007793 CCOC(=O)c1ccc(COC(=O)C)o1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K06 compound treatment 0.351 -0.0126 -0.48 0.357 -0.00962 -0.39 -0.6118 -0.9947 2073652 Maybridge1_007794 Brc1cc(Br)cc(C#N)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K07 compound treatment 0.384 0.0204 0.78 0.356 -0.0106 -0.43 0.2464 0.2779 2073653 Maybridge1_007795 COc1ccc(cc1)C2=C(C(=O)C)C(=NC(=S)C2C#N)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K08 compound treatment 0.36 -0.00356 -0.14 0.36 -0.00662 -0.27 -0.2845 -0.9505 2073654 Maybridge1_007796 Fc1ccc(NC(=O)C2CC2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K09 compound treatment 0.368 0.00444 0.17 0.358 -0.00862 -0.35 -0.1265 -0.3275 2073655 Maybridge1_007797 CC(=O)Nc1ccc(cc1Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K10 compound treatment 0.381 0.0174 0.66 0.359 -0.00762 -0.31 0.2513 0.344 1014540 Maybridge1_007798 O=C(C1CCNCC1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K11 compound treatment 0.363 -5.63E-4 -0.02 0.358 -0.00862 -0.35 -0.2609 -0.7492 2073656 Maybridge1_007799 Nc1csc2cc(cc(Cl)c12)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K12 compound treatment 0.386 0.0224 0.85 0.378 0.0114 0.46 0.927 0.9576 2073657 Maybridge1_007800 COc1cc(Cl)c(NC(=O)c2cccc(c2)C(F)(F)F)c(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K13 compound treatment 0.364 4.37E-4 0.02 0.362 -0.00462 -0.19 -0.12 -0.6415 2073658 Maybridge1_007801 COc1ccc(cc1)c2cc[nH]n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K14 compound treatment 0.371 0.00744 0.28 0.361 -0.00562 -0.23 0.0396 0.1092 2073659 Maybridge1_007802 Cc1ccc(cc1)S(=O)(=O)NC(=O)O/N=C(\N)/c2ccc(cc2)C(C)(C)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K15 compound treatment 0.385 0.0214 0.81 0.369 0.00238 0.1 0.6437 0.7848 2073660 Maybridge1_007803 CC(C)(C)C(=O)Nc1cccc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K16 compound treatment 0.365 0.00144 0.05 0.368 0.00138 0.06 0.0778 1.0 1275090 Maybridge1_007804 COC(=O)c1sccc1NC(=O)NS(=O)(=O)c2ccc(C)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K17 compound treatment 0.668 0.304 11.57 0.629 0.262 10.57 15.6566 0.999 2073661 Maybridge1_007805 CC(=O)C(N=Nc1ccc2OCOCc2c1)C(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K18 compound treatment 0.367 0.00344 0.13 0.366 -6.25E-4 -0.03 0.0746 0.5605 2073662 Maybridge1_007806 O=C(C1CCC1)c2ccc3CCCc3c2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K19 compound treatment 0.385 0.0214 0.81 0.382 0.0154 0.62 1.0141 0.9909 2073663 Maybridge1_007807 COc1ccc(OC)c(SCC(=O)N2CCc3c([nH]c4ccccc34)C2C(F)(F)F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K20 compound treatment 0.364 4.37E-4 0.02 0.366 -6.25E-4 -0.03 -0.0061 -0.2006 2073664 Maybridge1_007808 COc1ccc2cc(ccc2c1)/C(=N/OC(=O)Nc3cc(Cl)cc(Cl)c3)/C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K21 compound treatment 0.365 0.00144 0.05 0.365 -0.00162 -0.07 -0.0077 -0.09 2073665 Maybridge1_007809 FC(F)(F)c1cnc(C#N)c(Oc2ccc(Cl)cc2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K22 compound treatment 0.366 0.00244 0.09 0.368 0.00138 0.06 0.1047 0.9698 2073666 Maybridge1_007810 [O-][N+](=O)c1cc(ccc1Oc2ccc(cc2)c3nnco3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K23 mock treatment 0.364 4.37E-4 0.02 0.376 0.00938 0.38 0.2789 0.7375 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 K24 positive control 0.076 -0.288 -10.93 0.079 -0.288 -11.59 -15.9226 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L01 compound treatment 0.355 -0.00856 -0.33 0.361 -0.00562 -0.23 -0.3904 -0.9844 2073667 Maybridge1_007811 Cc1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L02 compound treatment 0.334 -0.0296 -1.12 0.332 -0.0346 -1.4 -1.781 -0.9942 2073668 Maybridge1_007812 CC(=O)c1ccc(o1)c2cc(ccc2Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L03 compound treatment 0.342 -0.0216 -0.82 0.334 -0.0326 -1.31 -1.509 -0.9741 2073669 Maybridge1_007813 FC(F)(F)C1OC(=O)C(=N1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L04 compound treatment 0.42 0.0564 2.14 0.417 0.0504 2.03 2.9519 0.9996 2073670 Maybridge1_007814 NC(=S)N/N=C/1\C(=O)Nc2ccc(F)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L05 compound treatment 0.339 -0.0246 -0.93 0.342 -0.0246 -0.99 -1.3617 -0.9995 2073671 Maybridge1_007815 Fc1cc(F)cc(Cc2nc(no2)c3cccs3)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L06 compound treatment 0.336 -0.0276 -1.05 0.34 -0.0266 -1.07 -1.4993 -0.9999 1274013 Maybridge1_007816 OC1C(=O)Nc2ccc(F)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L07 compound treatment 0.35 -0.0136 -0.52 0.35 -0.0166 -0.67 -0.8381 -0.9916 1653929 Maybridge1_007817 Cc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L08 compound treatment 0.369 0.00544 0.21 0.373 0.00638 0.26 0.3278 0.9942 2073672 Maybridge1_007818 CC/C(=N\OC(=O)Nc1ccccc1)/c2ccc(cc2)c3ccccc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L09 compound treatment 0.393 0.0294 1.12 0.421 0.0544 2.19 2.3404 0.9513 2073673 Maybridge1_007819 CC(C)c1ccc(C)c2c(N=Nc3ccc(cc3)C(F)(F)F)cc(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L10 compound treatment 0.389 0.0254 0.97 0.381 0.0144 0.58 1.0931 0.97 2073674 Maybridge1_007820 COC(=O)c1cc(C)c(s1)c2ccc(cc2)c3ccccc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L11 compound treatment 0.394 0.0304 1.16 0.387 0.0204 0.82 1.3984 0.9859 2073675 Maybridge1_007821 CC(C)(C)c1csc(n1)c2cc3nccc(c4cccc(c4)C(F)(F)F)n3n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L12 compound treatment 0.376 0.0124 0.47 0.374 0.00738 0.3 0.5443 0.975 2073676 Maybridge1_007822 CCOC(=O)c1cc(C)n(c1C)c2ccc(Cl)cc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L13 compound treatment 0.362 -0.00156 -0.06 0.357 -0.00962 -0.39 -0.3162 -0.806 2073677 Maybridge1_007823 CC1CN(CC(C)O1)S(=O)(=O)c2sc(Cl)cc2Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L14 compound treatment 0.392 0.0284 1.08 0.39 0.0234 0.94 1.4302 0.9977 1122416 Maybridge1_007824 N#CC(=Cc1ccccc1N2CCN(Cc3ccccc3)CC2)C#N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L15 compound treatment 0.361 -0.00256 -0.1 0.357 -0.00962 -0.39 -0.3431 -0.858 2073678 Maybridge1_007825 COc1ccc(C/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L16 compound treatment 0.371 0.00744 0.28 0.369 0.00238 0.1 0.2675 0.8965 1454417 Maybridge1_007826 Fc1ccccc1c2ccc(cc2)C(=O)N3CCCCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L17 compound treatment 0.37 0.00644 0.24 0.354 -0.0126 -0.51 -0.1868 -0.3308 1213439 Maybridge1_007827 COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c3cccs3)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L18 compound treatment 0.352 -0.0116 -0.44 0.356 -0.0106 -0.43 -0.6134 -0.9999 2073679 Maybridge1_007828 Cc1ccc(c2csc(n2)c3ccc(Cl)cc3)c(C)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L19 compound treatment 0.383 0.0194 0.74 0.38 0.0134 0.54 0.9034 0.988 2073680 Maybridge1_007829 FC(F)(F)c1ccc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L20 compound treatment 0.377 0.0134 0.51 0.382 0.0154 0.62 0.7992 0.9954 2073681 Maybridge1_007830 CCCNC(=O)Nc1ccc(cc1)n2nc(cc2C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L21 compound treatment 0.363 -5.63E-4 -0.02 0.352 -0.0146 -0.59 -0.4318 -0.7323 1530096 Maybridge1_007831 COc1ccc(CNC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L22 compound treatment 0.356 -0.00756 -0.29 0.357 -0.00962 -0.39 -0.4775 -0.9891 1616864 Maybridge1_007832 CC1(C)C2(C)CCC1(OC2=O)C(=O)N3CCSCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L23 mock treatment 0.364 4.37E-4 0.02 0.362 -0.00462 -0.19 -0.12 -0.6415 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 L24 positive control 0.076 -0.288 -10.93 0.079 -0.288 -11.59 -15.9226 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M01 compound treatment 0.416 0.0524 1.99 0.412 0.0454 1.83 2.702 0.9991 2073682 Maybridge1_007833 CSc1ccc(N=Nc2c(C)nn(C)c2O)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M02 compound treatment 0.33 -0.0336 -1.28 0.327 -0.0396 -1.6 -2.0309 -0.9938 1581490 Maybridge1_007834 COc1ccc(cc1)C(=O)C2CCNCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M03 compound treatment 0.328 -0.0356 -1.35 0.332 -0.0346 -1.4 -1.9422 -0.9999 1025611 Maybridge1_007835 O=C(c1cccs1)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M04 compound treatment 0.345 -0.0186 -0.71 0.339 -0.0276 -1.11 -1.2859 -0.9758 1419896 Maybridge1_007836 Cc1nc(sc1C(=O)NN)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M05 compound treatment 0.365 0.00144 0.05 0.368 0.00138 0.06 0.0778 1.0 1172986 Maybridge1_007837 N#Cc1c(nsc1c2ccccc2)N3CCOCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M06 compound treatment 0.337 -0.0266 -1.01 0.34 -0.0266 -1.07 -1.4724 -0.9995 2073683 Maybridge1_007838 CCOC(=O)c1c(C)n[nH]c1C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M07 compound treatment 0.36 -0.00356 -0.14 0.344 -0.0226 -0.91 -0.7404 -0.8033 2073684 Maybridge1_007839 CC(=O)c1cc(c(s1)C(F)(F)F)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M08 compound treatment 0.356 -0.00756 -0.29 0.354 -0.0126 -0.51 -0.5629 -0.9635 2073685 Maybridge1_007840 NNC(=S)NC1CC2CC1C=C2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M09 compound treatment 0.389 0.0254 0.97 0.389 0.0224 0.9 1.3211 0.9994 1577926 Maybridge1_007841 Clc1cccc(c1)c2csc(Nc3cccnc3)n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M10 compound treatment 0.35 -0.0136 -0.52 0.354 -0.0126 -0.51 -0.7242 -1.0 2073686 Maybridge1_007842 Cc1cc(cc(C)n1)c2ccsc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M11 compound treatment 0.36 -0.00356 -0.14 0.362 -0.00462 -0.19 -0.2275 -0.9877 1062972 Maybridge1_007843 COC(=O)c1nccnc1N 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M12 compound treatment 0.373 0.00944 0.36 0.38 0.0134 0.54 0.6347 0.9804 2073687 Maybridge1_007844 COc1cc(Cl)c(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M13 compound treatment 0.356 -0.00756 -0.29 0.357 -0.00962 -0.39 -0.4775 -0.9891 2073688 Maybridge1_007845 Nc1nc(ncc1C#N)c2cccnc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M14 compound treatment 0.363 -5.63E-4 -0.02 0.357 -0.00962 -0.39 -0.2894 -0.7449 2073689 Maybridge1_007846 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(OC(F)(F)F)cc2Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M15 compound treatment 0.372 0.00844 0.32 0.371 0.00438 0.18 0.3514 0.9603 2073690 Maybridge1_007847 Cc1cc(/C=N/NC(=O)N)c(C)n1c2ccc(cc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M16 compound treatment 0.351 -0.0126 -0.48 0.357 -0.00962 -0.39 -0.6118 -0.9947 1353764 Maybridge1_007848 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M17 compound treatment 0.38 0.0164 0.62 0.37 0.00338 0.14 0.5379 0.8414 2073691 Maybridge1_007849 FC(F)(F)Oc1ccc(NC(=O)OC(Cc2ccccc2)C(F)(F)F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M18 compound treatment 0.386 0.0224 0.85 0.384 0.0174 0.7 1.098 0.9952 2073692 Maybridge1_007850 COc1ccc2cc(ccc2c1)c3ccn[nH]3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M19 compound treatment 0.364 4.37E-4 0.02 0.358 -0.00862 -0.35 -0.234 -0.6725 2073693 Maybridge1_007851 NS(=O)(=O)c1ccc(F)cc1Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M20 compound treatment 0.505 0.141 5.37 0.513 0.146 5.9 7.9714 0.9989 2073694 Maybridge1_007852 O=C/1/C(=C/c2ccco2)/COC\C1=C/c3ccco3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M21 compound treatment 0.415 0.0514 1.95 0.411 0.0444 1.79 2.6466 0.999 2073695 Maybridge1_007853 CN(C)c1cc(cnc1C(=S)C)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M22 compound treatment 0.364 4.37E-4 0.02 0.367 3.75E-4 0.02 0.0224 0.9989 1004095 Maybridge1_007854 O=C(N1CCOCC1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M23 mock treatment 0.361 -0.00256 -0.1 0.368 0.00138 0.06 -0.0297 -0.2649 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 M24 positive control 0.078 -0.286 -10.85 0.086 -0.281 -11.31 -15.6694 -0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N01 compound treatment 0.334 -0.0296 -1.12 0.339 -0.0276 -1.11 -1.5815 -1.0 2073696 Maybridge1_007855 FC(F)(F)c1ccc(NC2OC(=O)c3ccccc23)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N02 compound treatment 0.33 -0.0336 -1.28 0.33 -0.0366 -1.48 -1.9454 -0.9974 2073697 Maybridge1_007856 CC(=O)c1ccc(o1)c2ccccc2OC(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N03 compound treatment 0.326 -0.0376 -1.43 0.327 -0.0396 -1.6 -2.1384 -0.9984 2073698 Maybridge1_007857 COC(=O)c1sc(c(c1/N=C/N)c2ccccc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N04 compound treatment 0.374 0.0104 0.4 0.369 0.00238 0.1 0.3481 0.8532 2073699 Maybridge1_007858 CCOC(=O)N/N=C/1\C(=O)Nc2ccc(F)cc12 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N05 compound treatment 0.336 -0.0276 -1.05 0.338 -0.0286 -1.15 -1.5563 -0.9988 2073700 Maybridge1_007859 Fc1cc(F)cc(COc2cc(Cl)cc(Cl)c2)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N06 compound treatment 0.375 0.0114 0.43 0.375 0.00838 0.34 0.546 0.9922 2073701 Maybridge1_007860 CC/C(=N\OC(=O)Nc1cc(Cl)cc(Cl)c1)/c2ccc(cc2)c3ccccc3F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N07 compound treatment 0.383 0.0194 0.74 0.374 0.00738 0.3 0.7324 0.9199 2073702 Maybridge1_007861 CC(C)c1ccc(C)c2c(/C=N\NC(=S)N)cc(C)c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N08 compound treatment 0.359 -0.00456 -0.17 0.357 -0.00962 -0.39 -0.3969 -0.9341 1490455 Maybridge1_007862 Fc1ccccc1c2ccc(cc2)C(=O)N3CCOCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N09 compound treatment 0.361 -0.00256 -0.1 0.35 -0.0166 -0.67 -0.5426 -0.8015 1320292 Maybridge1_007863 CCc1ccc(C)nc1NC(=O)c2snnc2C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N10 compound treatment 0.566 0.202 7.69 0.563 0.196 7.91 11.0352 0.9999 2073703 Maybridge1_007864 COC(=O)c1cc(ccc1N2CCCC2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N11 compound treatment 0.375 0.0114 0.43 0.369 0.00238 0.1 0.375 0.8426 1079409 Maybridge1_007865 N#Cc1nc(c2ccccc2)c(nc1C#N)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N12 compound treatment 0.377 0.0134 0.51 0.374 0.00738 0.3 0.5712 0.9668 1695330 Maybridge1_007866 COc1ccc(NC(=O)c2ccc(cc2)c3ccccc3F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N13 compound treatment 0.367 0.00344 0.13 0.364 -0.00262 -0.11 0.0176 0.1045 2073704 Maybridge1_007867 Clc1sc(cc1Br)S(=O)(=O)N2CCSCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N14 compound treatment 0.385 0.0214 0.81 0.379 0.0124 0.5 0.9287 0.9723 2073705 Maybridge1_007868 Fc1ccc2SCC/C(=N\OC(=O)c3ccc(Cl)cc3)/c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N15 compound treatment 0.356 -0.00756 -0.29 0.364 -0.00262 -0.11 -0.278 -0.9078 1454399 Maybridge1_007869 COc1ccc(CNCc2cc(OC)c(OC)c(OC)c2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N16 compound treatment 0.381 0.0174 0.66 0.365 -0.00162 -0.07 0.4223 0.6341 2073706 Maybridge1_007870 Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N17 compound treatment 0.68 0.316 12.02 0.679 0.312 12.59 17.4038 0.9997 2073707 Maybridge1_007871 Fc1ccc(NN=C(C#N)C#N)c(F)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N18 compound treatment 0.359 -0.00456 -0.17 0.361 -0.00562 -0.23 -0.2829 -0.9912 2073708 Maybridge1_007872 Cc1ccc(cc1)c2csc(n2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N19 compound treatment 0.368 0.00444 0.17 0.362 -0.00462 -0.19 -0.0125 -0.0499 2073709 Maybridge1_007873 COC(=O)c1cccn1c2ccccc2C(=O)OC 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N20 compound treatment 0.369 0.00544 0.21 0.362 -0.00462 -0.19 0.0143 0.0515 2073710 Maybridge1_007874 [O-][N+](=O)c1cc(ccc1Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N21 compound treatment 0.37 0.00644 0.24 0.371 0.00438 0.18 0.2976 0.9871 1566906 Maybridge1_007875 O=C(CC1(CC2CC3CC(C2)C1)C3)Nc4nccs4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N22 compound treatment 0.368 0.00444 0.17 0.364 -0.00262 -0.11 0.0444 0.2233 1567147 Maybridge1_007876 OC1(CCOCC1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N23 mock treatment 0.37 0.00644 0.24 0.371 0.00438 0.18 0.2976 0.9871 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 N24 positive control 0.076 -0.288 -10.93 0.079 -0.288 -11.59 -15.9226 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O01 compound treatment 0.372 0.00844 0.32 0.37 0.00338 0.14 0.3229 0.9271 2073711 Maybridge1_007877 Cc1nn(C)c(O)c1N=Nc2ccc(cc2)S(=O)(=O)C 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O02 compound treatment 0.315 -0.0486 -1.85 0.314 -0.0526 -2.12 -2.8044 -0.9976 2073712 Maybridge1_007878 Cc1nn(c(O)c1N=Nc2ccc(cc2)C(C)(C)C)c3cccc(Cl)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O03 compound treatment 0.328 -0.0356 -1.35 0.325 -0.0416 -1.68 -2.1417 -0.9943 2073713 Maybridge1_007879 COC(=O)c1sc(c(c1N)c2ccccc2)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O04 compound treatment 0.332 -0.0316 -1.2 0.335 -0.0316 -1.27 -1.7492 -0.9995 2073714 Maybridge1_007880 FC(F)(F)c1ccc(NC(=O)Nc2ccccc2)c(Br)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O05 compound treatment 0.332 -0.0316 -1.2 0.331 -0.0356 -1.44 -1.8632 -0.996 1138575 Maybridge1_007881 N#Cc1c(nsc1c2ccccc2)N3CCCC3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O06 compound treatment 0.338 -0.0256 -0.97 0.34 -0.0266 -1.07 -1.4455 -0.9988 2073715 Maybridge1_007882 CCOC(=O)c1c(C)nn(c1C)c2ccc(cc2)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O07 compound treatment 0.34 -0.0236 -0.9 0.337 -0.0296 -1.19 -1.4773 -0.99 2073716 Maybridge1_007883 N/C(=N\O)/c1cc(cc(c1)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O08 compound treatment 0.347 -0.0166 -0.63 0.344 -0.0226 -0.91 -1.0897 -0.9836 2073717 Maybridge1_007884 Cc1nn(c(C)c1C(=O)NNC(=O)c2ccc(Cl)cc2)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O09 compound treatment 0.395 0.0314 1.19 0.376 0.00938 0.38 1.1119 0.8874 2073718 Maybridge1_007885 Brc1ccc(cc1)c2csc(Nc3cccnc3)n2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O10 compound treatment 0.343 -0.0206 -0.78 0.356 -0.0106 -0.43 -0.8553 -0.9599 1705189 Maybridge1_007886 Cc1noc(C)c1C(=O)N2CCC(CC2)C(=O)c3ccccc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O11 compound treatment 0.345 -0.0186 -0.71 0.342 -0.0246 -0.99 -1.2005 -0.986 2073719 Maybridge1_007887 CC(=O)c1csc(c1)[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O12 compound treatment 0.362 -0.00156 -0.06 0.363 -0.00362 -0.15 -0.1453 -0.9213 2073720 Maybridge1_007888 COc1cc(Cl)c(NS(=O)(=O)c2cc(Br)c(Br)s2)c(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O13 compound treatment 0.357 -0.00656 -0.25 0.354 -0.0126 -0.51 -0.5361 -0.9462 2073721 Maybridge1_007889 FC(F)(F)c1ccc(C=C(C#N)C#N)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O14 compound treatment 0.363 -5.63E-4 -0.02 0.359 -0.00762 -0.31 -0.2324 -0.7545 1241193 Maybridge1_007890 Cc1cc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)no1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O15 compound treatment 0.356 -0.00756 -0.29 0.362 -0.00462 -0.19 -0.335 -0.978 2073722 Maybridge1_007891 FC(F)(F)c1ccc(CNS(=O)(=O)c2cc(Br)c(Br)s2)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O16 compound treatment 0.363 -5.63E-4 -0.02 0.361 -0.00562 -0.23 -0.1754 -0.7704 1559301 Maybridge1_007892 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCN(CC2)C(=O)NS(=O)(=O)c3ccc(C)cc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O17 compound treatment 0.375 0.0114 0.43 0.368 0.00138 0.06 0.3465 0.7908 2073723 Maybridge1_007893 O=C(CC(C(=O)c1cccs1)c2ccsc2)c3cccs3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O18 compound treatment 0.384 0.0204 0.78 0.389 0.0224 0.9 1.1867 0.9972 2073724 Maybridge1_007894 NC(=S)c1c(Cl)cc(cc1Cl)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O19 compound treatment 0.362 -0.00156 -0.06 0.358 -0.00862 -0.35 -0.2877 -0.8161 2073725 Maybridge1_007895 NC(=O)c1sccc1Br 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O20 compound treatment 0.355 -0.00856 -0.33 0.363 -0.00362 -0.15 -0.3334 -0.9347 2073726 Maybridge1_007896 CCCCNC(=O)O/N=C(\C)/c1ccc2cc(OC)ccc2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O21 compound treatment 0.366 0.00244 0.09 0.368 0.00138 0.06 0.1047 0.9698 2073727 Maybridge1_007897 COC(=O)c1ccc(/C=C/c2cccc(Cl)c2)s1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O22 compound treatment 0.365 0.00144 0.05 0.366 -6.25E-4 -0.03 0.0208 0.3461 2073728 Maybridge1_007898 Clc1ccc(cc1)C(=O)c2cccs2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O23 mock treatment 0.365 0.00144 0.05 0.374 0.00738 0.3 0.2488 0.8233 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 O24 positive control 0.08 -0.284 -10.78 0.114 -0.253 -10.18 -14.8179 -0.9996 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P01 compound treatment 0.34 -0.0236 -0.9 0.336 -0.0306 -1.23 -1.5058 -0.9876 2073729 Maybridge1_007899 Cc1onc(c1/C=C\2/C(=O)Nc3ccccc23)c4c(Cl)cccc4Cl 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P02 compound treatment 0.333 -0.0306 -1.16 0.329 -0.0376 -1.52 -1.8933 -0.9913 2073730 Maybridge1_007900 Fc1ccc2NC(=O)/C(=N\Nc3ccccc3)/c2c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P03 compound treatment 0.335 -0.0286 -1.09 0.334 -0.0326 -1.31 -1.6971 -0.9955 2073731 Maybridge1_007901 Fc1ccc(cc1)n2cccc2C(=O)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P04 compound treatment 0.347 -0.0166 -0.63 0.345 -0.0216 -0.87 -1.0612 -0.9872 2073732 Maybridge1_007902 NC(=O)c1ccc(cc1)c2ccccc2F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P05 compound treatment 0.356 -0.00756 -0.29 0.358 -0.00862 -0.35 -0.449 -0.9955 2073733 Maybridge1_007903 Cc1cc(OCc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P06 compound treatment 0.379 0.0154 0.59 0.375 0.00838 0.34 0.6535 0.9655 2073734 Maybridge1_007904 [O-][N+](=O)c1ccc(N/N=C/c2ccc(o2)c3cc(ccc3Cl)C(F)(F)F)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P07 compound treatment 0.369 0.00544 0.21 0.363 -0.00362 -0.15 0.0428 0.1692 2073735 Maybridge1_007905 FC(F)(F)c1cccc(c1)c2ccnc3c(C#N)cnn23 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P08 compound treatment 0.362 -0.00156 -0.06 0.356 -0.0106 -0.43 -0.3447 -0.7975 2073736 Maybridge1_007906 NC(=S)Nc1ccc(cc1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P09 compound treatment 0.356 -0.00756 -0.29 0.361 -0.00562 -0.23 -0.3635 -0.9931 1682759 Maybridge1_007907 CCOC(=O)N1CCN(CN2CCCCC2=O)CC1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P10 compound treatment 0.462 0.0984 3.74 0.447 0.0804 3.24 4.9353 0.9974 2073737 Maybridge1_007908 Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1c3ccc(cc3)c4ccccc4F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P11 compound treatment 0.357 -0.00656 -0.25 0.359 -0.00762 -0.31 -0.3936 -0.9946 1033603 Maybridge1_007909 CCOC(=O)Nc1ccc(F)cc1F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P12 compound treatment 0.39 0.0264 1.0 0.389 0.0224 0.9 1.348 0.9985 2073738 Maybridge1_007910 Fc1ccccc1c2ccc(cc2)C(=O)Nc3ccc(cc3)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P13 compound treatment 0.372 0.00844 0.32 0.367 3.75E-4 0.02 0.2374 0.7396 2073739 Maybridge1_007911 Clc1sc(cc1Br)S(=O)(=O)N2CCCC2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P14 compound treatment 0.365 0.00144 0.05 0.367 3.75E-4 0.02 0.0493 0.87 2073740 Maybridge1_007912 Fc1ccc2SCc3cn(nc3-c2c1)C(=O)c4ccc(Cl)cc4 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P15 compound treatment 0.487 0.123 4.69 0.479 0.112 4.53 6.5189 0.9998 2073741 Maybridge1_007913 FC(F)(F)c1cc(NN=C(C#N)C#N)cc(c1)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P16 compound treatment 0.365 0.00144 0.05 0.374 0.00738 0.3 0.2488 0.8233 2073742 Maybridge1_007914 N/C(=N\O)/COc1ccc(Cl)cc1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P17 compound treatment 0.38 0.0164 0.62 0.385 0.0184 0.74 0.9653 0.9964 2073743 Maybridge1_007915 COC(=O)CCCCCCCC(=O)Nc1ccc(OC)c(OC)c1 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P18 compound treatment 0.383 0.0194 0.74 0.376 0.00938 0.38 0.7894 0.9515 1632182 Maybridge1_007916 Cc1ccc(cc1)c2csc(n2)c3ccncc3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P19 compound treatment 0.377 0.0134 0.51 0.373 0.00638 0.26 0.5427 0.9495 2073744 Maybridge1_007917 FC(F)(F)c1ccnc(c1)N2CCN(CC2)C(=O)Nc3cccc(Cl)c3 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P20 compound treatment 0.37 0.00644 0.24 0.366 -6.25E-4 -0.03 0.1552 0.631 2073745 Maybridge1_007918 COc1cc(cc(c1C(=O)O)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P21 compound treatment 0.38 0.0164 0.62 0.371 0.00438 0.18 0.5664 0.8726 1012024 Maybridge1_007919 N#CC(C(C#N)c1ccccc1)c2ccccc2 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P22 compound treatment 0.365 0.00144 0.05 0.375 0.00838 0.34 0.2773 0.811 2073746 Maybridge1_007920 COc1cc(cc(c1C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P23 mock treatment 0.368 0.00444 0.17 0.371 0.00438 0.18 0.2439 0.9998 1017.0027 EnzCoupledColor(1017.0027) TrypanothioneReductase 1017.0027.563 P24 positive control 0.081 -0.283 -10.74 0.086 -0.281 -11.31 -15.5888 -0.9997