PubChem ID SMILES CYP1A2 CYP2C9 CYP2C19 CYP2D6 CYP3A4 932 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 - - - - inhibitor 991 CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-] - - - - inhibitor 1287 Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c4cc(O)c(O)c(O)c4 - - - - inhibitor 1309 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34 - - - - inhibitor 1483 Oc1c(Br)cc(Br)cc1Br - - - - inhibitor 1694 Brc1c(Br)c(Br)c2n[nH]nc2c1Br - - - - inhibitor 1697 O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc4ccccc4)cc12 - - - - inhibitor 1988 CCOCN(C(=O)CCl)c1c(C)cccc1CC - - - - inhibitor 2081 CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 - - - - inhibitor 2087 ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl - - - - inhibitor 2122 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl - - - - inhibitor 2268 COP(=S)(OC)SCN1N=Nc2ccccc2C1=O - - - - inhibitor 2346 S=C=NCc1ccccc1 - - - - inhibitor 2363 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4c(O)c5OCOc5cc24 - - - - inhibitor 2376 CN1CCc2cc3OCOc3cc2C1C4OC(=O)c5c6OCOc6ccc45 - - - - inhibitor 2406 Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O - - - - inhibitor 2540 CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc4ccc(cc4)c5ccccc5c6nn[nH]n6 - - - - inhibitor 2577 CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O - - - - inhibitor 2596 CNC1=C(Br)C(=O)c2ccncc2C1=O - - - - inhibitor 2597 CNC1=C(Cl)C(=O)c2ccncc2C1=O - - - - inhibitor 2598 OCCNC1=CC(=O)c2ccncc2C1=O - - - - inhibitor 2603 Clc1cccc(NN=C(C#N)C#N)c1 - - - - inhibitor 2662 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F - - - - inhibitor 2711 ClC1CC2C(C1Cl)C3(Cl)C(Cl)C(Cl)C2(Cl)C3(Cl)Cl - - - - inhibitor 2730 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl - - - - inhibitor 2757 OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34 - - - - inhibitor 2774 CC1OC=C2C(=O)C(=C(O)O)C(=O)C(=C2C1C)C - - - - inhibitor 2775 COc1cc(OC)c2C=CC(=O)Oc2c1 - - - - inhibitor 2799 CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 - - - - inhibitor 2871 CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C - - - - inhibitor 3017 CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C - - - - inhibitor 3035 ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl - - - - inhibitor 3330 FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1 - - - - inhibitor 3346 COP(=S)(OC)Oc1ccc(SC)c(C)c1 - - - - inhibitor 3362 CCC(=O)c1c(O)cc(O)cc1O - - - - inhibitor 3474 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23 - - - - inhibitor 3512 COC1=CC(=O)CC(C)C12Oc3c(Cl)c(OC)cc(OC)c3C2=O - - - - inhibitor 3593 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 - - - - inhibitor 3598 Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl - - - - inhibitor 3610 CCCCCCc1ccc(O)cc1O - - - - inhibitor 3749 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5 - - - - inhibitor 3799 C=CC(=O)c1ccc2ccccc2c1 - - - - inhibitor 3961 CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4 - - - - inhibitor 3969 CCCc1c(O)c(ccc1OCCCCc2nn[nH]n2)C(=O)C - - - - inhibitor 4004 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC - - - - inhibitor 4119 COc1cc(C)c2C(=O)C=C(Oc2c1)c3ccccc3 - - - - inhibitor 4130 COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-] - - - - inhibitor 4276 COc1cc(CC=C)cc2OCOc12 - - - - inhibitor 4407 Oc1c(Cl)c(Cl)c(O)c2C(=O)C=CC(=O)c12 - - - - inhibitor 4511 NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] - - - - inhibitor 4534 CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2 - - - - inhibitor 4641 CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 - - - - inhibitor 4658 COc1ccccc1N2CCN(CCN(C(=O)c3ccc(I)cc3)c4ccccn4)CC2 - - non-inhibitor inhibitor - 4712 [O-][N+](=O)c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4 - - - - inhibitor 4764 Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4 - - - - inhibitor 4793 CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12 - - - - inhibitor 4825 COc1c(OC)c2occc2c3OC(=O)C=Cc13 - - - - inhibitor 4826 CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C - - - - inhibitor 4933 CCC(=O)Nc1ccc(Cl)c(Cl)c1 - - - - inhibitor 5002 OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24 - - - - inhibitor 5004 Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O - - - - inhibitor 5010 CCOC(=O)OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC)cc34 - - - - inhibitor 5038 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O - - - - inhibitor 5054 Oc1cccc(O)c1 - - - - inhibitor 5055 CC(=O)Oc1cccc(O)c1 - - - - inhibitor 5100 Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3 - - - - inhibitor 5102 COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(=C)C - - - - inhibitor 5212 CCCc1nn(C)c2C(=O)N=C(Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4 - - - - inhibitor 5213 COc1cc(ccc1O)C2Oc3cc(ccc3OC2CO)C4Oc5cc(O)cc(O)c5C(=O)C4O - - - - inhibitor 5455 CN(C)C(=S)SSC(=S)N(C)C - - - - inhibitor 5518 CC1(C)C(C(Cl)Cl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl - - - - inhibitor 5794 CCCCOCCOCCOCc1cc2OCOc2cc1CCC - - - - inhibitor 5991 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C - - - - inhibitor 5993 ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl - - - - inhibitor 6279 C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(=O)C)C(=O)C)[C@@]4(C)CCC(=O)C=C14 - - - - inhibitor 6293 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O - - - - inhibitor 6529 Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1 - - - - inhibitor 6618 CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2 - - - - inhibitor 6625 Clc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2 - - - - inhibitor 6702 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N - - - - inhibitor 6716 COc1c2C(=O)C=C(C)Oc2cc3occc13 - - - - inhibitor 6731 O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3 - - - - inhibitor 6914 Oc1c(Cl)cc(Cl)cc1Cl - - - - inhibitor 6969 [O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1 - - - - inhibitor 7013 N(c1ccccc1)c2cccc3ccccc23 - - - - inhibitor 7020 O=C1c2ccccc2Oc3ccccc13 - - - - inhibitor 7069 COc1cc(ccc1N=C=O)c2ccc(N=C=O)c(OC)c2 - - - - inhibitor 7102 Nc1ccc(cc1)c2ccccc2 - - - - inhibitor 7340 Cc1ccccc1N=Nc2ccc(N)c(C)c2 - - - - inhibitor 7543 Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl - - - - inhibitor 7577 Nc1ccc(Cc2ccc(N)cc2)cc1 - - - - inhibitor 7586 C(Oc1cccc(OCC2CO2)c1)C3CO3 - - - - inhibitor 7589 CCC(C)Nc1ccc(NC(C)CC)cc1 - - - - inhibitor 8341 Nc1ccc2C(=O)c3ccccc3C(=O)c2c1 - - - - inhibitor 8371 ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl - - - - inhibitor 8411 COc1cc(ccc1N)c2ccc(N)c(OC)c2 - - - - inhibitor 8560 C=CCOC(=O)c1ccccc1C(=O)OCC=C - - - - inhibitor 8606 ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O - - - - inhibitor 8609 Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 - - - - inhibitor 8765 Nc1ccc(Sc2ccc(N)cc2)cc1 - - - - inhibitor 8981 CC1=CC(C)(C)Nc2ccccc12 - - - - inhibitor 9473 CC(=O)OCc1ccc2OCOc2c1 - - - - inhibitor 10138 OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O - - - - inhibitor 10147 CN1Cc2c3OCOc3ccc2C4C(O)Cc5cc6OCOc6cc5C14 - - - - inhibitor 10212 CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C - - - - inhibitor 10228 COc1ccc2C=CC(=O)Oc2c1CC=C(C)C - - - - inhibitor 10377 CCCCCc1cc(O)cc(O)c1 - - - - inhibitor 10607 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24 - - - - inhibitor 10659 COc1cc(CC=C)c(OC)c2OCOc12 - - - - inhibitor 11092 COc1ccc(C(=O)C)c(O)c1 - - - - inhibitor 11095 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 - - - - inhibitor 11443 Cc1ccc(cc1N=C=O)N=C=O - - - - inhibitor 12120 CCOc1cccc(N)c1 - - - - inhibitor 13931 C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O - - - - inhibitor 15910 Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl - - - - inhibitor 16720 Nc1cccc2c(N)cccc12 - - - - inhibitor 16932 Cc1ccc2ccc3cccc4ccc1c2c34 - - - - inhibitor 19042 OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C - - - - inhibitor 19493 N[C@@H]1C[C@H]1c2ccccc2 inhibitor - - - non-inhibitor 21041 Clc1ccc2nc([nH]c2c1)c3ccccc3 - - - - inhibitor 22463 Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1 - - - - inhibitor 22586 Cc1cc(Nc2ccc(O)cc2)ccc1N - - - - inhibitor 24744 COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1 - - - - inhibitor 31426 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-] - - - - inhibitor 31553 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O - - - - inhibitor 33133 Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3)c1 - - - - inhibitor 33528 CCCCCCCCN1SC=CC1=O - - - - inhibitor 34757 Cc1cc2nc(N)sc2cc1C - - - - inhibitor 41206 Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2 - - - - inhibitor 41684 CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-] - - - - inhibitor 47811 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34 - - - - inhibitor 53073 COc1cc2c(C)c3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34 - - - - inhibitor 53232 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 - - - - inhibitor 53276 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N - - - inhibitor inhibitor 60703 OC(CN1CCC(Cc2ccc(F)cc2)CC1)c3ccc(Cl)cc3 - - - - inhibitor 60943 COc1ccc(cc1OC)S(=O)(=O)N2[C@@H](C(=O)N3CCC[C@H]3C(=O)N)[C@@](O)(c4ccccc4Cl)c5cc(Cl)ccc25 - - - - inhibitor 62362 COc1cc(CC=C)ccc1OC(=O)c2ccccc2 - - - - inhibitor 66654 COc1cc(O)c(C(=O)C)c(OC)c1 - - - - inhibitor 68066 COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O - - - - inhibitor 68072 Cc1cc(O)cc(O)c1C(=O)O - - - - inhibitor 68073 CC(=O)c1c(O)cc(O)cc1O - - - - inhibitor 68077 COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2 - - - - inhibitor 68079 COc1c2OC(=O)C=Cc2c(OC)c3ccoc13 - - - - inhibitor 68082 COc1cc2occc2c3OC(=O)C=Cc13 - - - - inhibitor 72344 COc1ccc(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2 - - - - inhibitor 72385 CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 - - - - inhibitor 73677 COc1cc(C)c2C(=O)Oc3c(C)c(O)c4C(=O)OC(O)c4c3Oc2c1C=O - - - - inhibitor 74812 COc1cc(c(O)cc1C(C)(C)C)C(C)(C)C - - - - inhibitor 75653 CCOC(=O)c1c(C)cc(O)cc1O - - - - inhibitor 77793 COc1ccc(cc1)C2=CC(=O)c3ccccc3O2 - - - - inhibitor 83511 Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br - - - - inhibitor 86102 CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2 - - - - inhibitor 91773 CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C - - - - inhibitor 97142 COc1cc(OC)c2C(=O)C(=C(Oc2c1)c3ccc(OC)c(OC)c3)O - - - - inhibitor 97143 COc1ccc(cc1OC)C2=C(O)C(=O)c3ccccc3O2 - - - - inhibitor 97226 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(O)ccc5nc34)C2=O - - - - inhibitor 97332 COC1=C(Oc2cc(OC)cc(OC)c2C1=O)c3ccc(OC)c(OC)c3 - - - - inhibitor 97662 COc1cc2C(=O)c3nccc4cc(OC)c(OC)c(c2cc1OC)c34 inhibitor - - - inhibitor 99613 Cc1cc(O)cc(O)c1C(=O)Oc2cc(C)c(C(=O)O)c(O)c2 - - - - inhibitor 99652 CNc1ccccc1C(=O)N2CCc3c([nH]c4ccccc34)C2=O - - - - inhibitor 99926 COC1=CC(=O)C(=CC1=O)C(C=C)c2ccccc2 - - - - inhibitor 101277 COc1cc2OCOc2cc1C3=Cc4cc5ccoc5cc4OC3=O - - - - inhibitor 110993 NC(Cc1cnc[nH]1)C(=O)Nc2ccc3ccccc3c2 - - - - inhibitor 119039 CC(=C)c1oc2cc(O)c(cc2c1)C(=O)C - - - - inhibitor 122023 CCc1cc(C(=O)C)c(O)cc1OCCCCCC(C)(C)c2nn[nH]n2 - - - - inhibitor 122327 CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC - - - - inhibitor 132787 C1COc2c(O1)cccc2N3CCN(CC3)C4Cc5ccccc5C4 - - - - inhibitor 135411 OC(=O)c1ccc2cc(ccc2c1)c3ccc(O)c(c3)C45CC6CC(CC(C6)C4)C5 - - - - inhibitor 145726 Oc1ccc(cc1O)C2=CC(=O)c3ccccc3O2 - - - - inhibitor 145826 OC1=C(Oc2ccccc2C1=O)c3ccc(O)c(O)c3 inhibitor - - - non-inhibitor 162132 CCCc1cc(OC)c2OCOc2c1 - - - - inhibitor 165506 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 - - - - inhibitor 165521 Oc1ccc(cc1)C2=CC(=O)c3c(O)cccc3O2 - - - - inhibitor 168996 COc1ccc(cc1)C2=C(O)Oc3cc4OC(C)(C)C=Cc4c(OC)c3C2=O - - - - inhibitor 169132 CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O - - - - inhibitor 176408 Nc1nc2c(cnn2CCc3ccccc3)c4nc(nn14)c5occc5 - - - - inhibitor 181513 CN(C)Cc1c(C)[nH]c2ccccc12 - - - - inhibitor 182362 Oc1ccc(cc1)C2=CC(=O)c3cc(O)ccc3O2 - - - - inhibitor 197835 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34 - inhibitor - - - 220338 C[C@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C=C - - inhibitor non-inhibitor - 229852 COC1=CC(=O)OC(CCc2ccc3OCOc3c2)C1 - - - - inhibitor 230748 O=C1C=CC(=O)C2=C1C3c4ccccc4C2c5ccccc35 - - - - inhibitor 243545 CC(=O)OC(C)(C)N=Nc1ccc(Br)cc1 inhibitor inhibitor - - - 243723 COc1cc2OCC3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)C3c2cc1OC - - - - inhibitor 248507 COc1cc2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O - - - - inhibitor 259632 COc1ccc(CC(=O)c2ccc(O)cc2O)cc1 - - - - inhibitor 259993 NC1=NC(=O)c2ncn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c5ccccc5)C3OC(=O)c6ccccc6)c2N1 - - - - inhibitor 265699 COc1ccc(cc1)C2=C(O)C(=O)c3ccc(OC)cc3O2 - - - - inhibitor 273730 COc1cc2Cc3cc(OC)c(OC)cc3Cc4cc(OC)c(OC)cc4Cc2cc1OC - - - - inhibitor 278679 COC1=CC23CCCN2CCc4cc5OCOc5cc4C3C1O - - - - inhibitor 322372 COc1ccc2CC3N(CCc4cc5OCOc5cc34)C(Cc6ccccc6)c2c1OC - - - - inhibitor 353377 CC1CCC[C@]2(C)CC3OC(=O)C(=C)C3C=C12 - - - - inhibitor 364106 COC1=CC(=O)C(=CC1=O)C(C=C)c2ccc(OC)cc2 - - - - inhibitor 371942 COc1ccc2[C@H](OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34 - - - - inhibitor 378567 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 - - - - inhibitor 379077 ClC1=C(NCCN2CCOCC2)C(=O)c3ncccc3C1=O - - - - inhibitor 409177 Clc1nc(NCCc2ccccc2)c3ncn(c4ccccc4)c3n1 inhibitor inhibitor - - - 441140 COC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O - - - - inhibitor 448537 CC\C(=C(\CC)/c1ccc(O)cc1)\c2ccc(O)cc2 - - - - inhibitor 460612 N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O - - - - inhibitor 500181 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24 - - - - inhibitor 578729 COc1ccccc1C2=C(O)C(=O)c3ccccc3O2 - - - - inhibitor 592738 Oc1cc(O)c(C(=O)Cc2ccc(Cl)cc2)c(O)c1 - - - - inhibitor 606171 COc1cc2OCC3Oc4c5C=CC(C)(C)Oc5ccc4C(=O)C3c2cc1OC - - - - inhibitor 629853 COc1cc(OC)c2C(=O)C(=COc2c1)c3ccc4OCOc4c3 - - - - inhibitor 632854 CCC12CCCN3CCC4(C(CC1)N(C(=O)C)c5c(O)c(OC)ccc45)C23 - - - - inhibitor 638024 O=C(\C=C\C=C\c1ccc2OCOc2c1)N3CCCCC3 - - - - inhibitor 638310 Oc1cc2oc3c4ccccc4OC(=O)c3c2cc1O - - - - inhibitor 638311 COc1c(O)c(O)cc2c3C(=O)Oc4ccccc4c3oc12 - - - - inhibitor 667476 C\C=C(\C(=C\C)\c1ccc(O)cc1)/c2ccc(O)cc2 - - - - inhibitor 676030 Oc1cccc(c1)C2=CC(=O)c3c(O)cccc3O2 - - - - inhibitor 688662 Oc1cccc(c1)C2=CC(=O)c3cc(O)ccc3O2 - - - - inhibitor 688664 COC1=C(Oc2cc(OC)ccc2C1=O)c3ccccc3 - - - - inhibitor 688672 COc1ccc2C(=O)C=C(Oc2c1)c3cccc(OC)c3 - - - - inhibitor 688674 COc1ccc(cc1OC)C2=CC(=O)c3ccccc3O2 - - - - inhibitor 688715 OC1=C(Oc2ccccc2C1=O)c3ccc(O)cc3 - - - - inhibitor 688751 Cc1cccc(c1)C2=CC(=O)c3cc(Br)ccc3O2 - - - - inhibitor 688822 Cc1cccc(c1)C2=CC(=O)c3cc(C)ccc3O2 - - - - inhibitor 689013 Cc1ccc2OC(=CC(=O)c2c1)c3ccccc3 - - - - inhibitor 707035 S=C1Nc2ccccc2N1 - - - - inhibitor 824226 Nc1ccc(cc1)c2nc3ccc(cc3[nH]2)c4nc5ccc(N)cc5[nH]4 - - - - inhibitor 842250 OCCCN(Cc1cc2cc3OCOc3cc2nc1O)Cc4nnnn4Cc5ccc(F)cc5 inhibitor - - - inhibitor 842408 CC(=O)N(c1ccc2OC(=O)Sc2c1)S(=O)(=O)c3cccs3 - inhibitor - non-inhibitor - 842584 Clc1ccccc1c2n[nH]c(n2)c3ccccc3 inhibitor - - - - 843293 CCN(CC)C(=O)CSc1nnc(c2cc3ccccc3cc2O)n1CC - - - non-inhibitor inhibitor 843611 CCc1nnc(SCc2ccc(OC(C)C)cc2)n1N - inhibitor inhibitor - - 843813 CCc1c(C)nc2ncnn2c1NCCc3ccc(OC)cc3 - inhibitor inhibitor - - 843987 Cc1ccc2cc(C)c3nnc(SCC(=O)NCc4occc4)n3c2c1 inhibitor - - non-inhibitor - 844782 Cn1c(SC2=CS(=O)(=O)c3ccccc23)nc4ccccc14 inhibitor - - non-inhibitor - 844873 CC(N(C(=O)c1snc(C(=O)N)c1N)c2ccc3OCCOc3c2)C(=O)NC4CCCC4 non-inhibitor - - - inhibitor 845652 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc2nnnn2C inhibitor inhibitor - - - 845706 CCOc1cccc(c1)C2N(Cc3ccncc3)C(=O)C(=C2C(=O)c4oc(C)cc4)O - - - - inhibitor 845879 CCC(C)(C)n1nnnc1C(C(C)C)N(CCCO)Cc2cc3cc(C)ccc3nc2O - - - non-inhibitor inhibitor 846109 CSc1nc2nc3CCN(Cc4ccccc4)Cc3c(O)n2n1 inhibitor non-inhibitor - - - 846286 Nc1[nH]nc(c1Cl)c2ccc(Br)cc2 inhibitor - - - - 846659 CCCCOC(=O)CSc1oc(nn1)c2cc(OC)c(OC)c(OC)c2 - - inhibitor - - 846772 COc1ccc(OC)c(c1)S(=O)(=O)N2CCC(CC2)C(=O)Nc3ccc(C)c(C)c3 - - - non-inhibitor inhibitor 847542 O=C(CSc1oc2ccccc2n1)Nc3ccccc3N4CCCCCC4 inhibitor - - - inhibitor 847619 O=C(NC1CCCC1)c2cccnc2N3CCCCCC3 - inhibitor - non-inhibitor - 848576 CCCN1CC=C2C(C1)C(c3cc(OC)ccc3OC)C(C#N)(C#N)C(=C2C#N)N - - inhibitor - inhibitor 848633 COc1ccc(cc1)c2cc(nc(n2)n3nc(C)cc3C)C(F)F inhibitor - - - inhibitor 848762 Cc1ccc(Cn2nnc3c(O)nc(nc23)C4CCN(CC4)C(=O)Cc5cccs5)cc1 - - inhibitor - inhibitor 849137 O=C1CN=C(c2cccs2)c3c4CCCCc4sc3N1 - - - inhibitor - 851015 Cc1cccc(NC(=O)N(Cc2nc(O)c3ccccc3n2)C4CCCC4)c1 - - inhibitor - - 851085 O=S(=O)(N1CCN(CC1)c2cc(nc3ncnn23)c4ccccc4)c5ccccc5 inhibitor - - non-inhibitor - 851343 COc1ccc(cc1OC)c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2 - inhibitor inhibitor - - 851470 COc1ccc(cc1)N2CC(CC2=O)C(=O)OCC(=O)c3cccc(OC)c3 - inhibitor - non-inhibitor - 851598 CCOc1cccc(c1)C(=O)C2=C(O)C(=O)N(Cc3occc3)C2c4ccncc4 - inhibitor - - - 852560 COc1ccccc1CN(Cc2cc3cc(C)cc(C)c3nc2O)Cc4nnnn4CC5CCCO5 - - - non-inhibitor inhibitor 853274 COc1cccc(CC(C(=O)Nc2cc(C)ccc2C)c3nn[nH]n3)c1OC inhibitor - non-inhibitor - - 853371 COc1ccc(CCN2C(C(=C(O)C2=O)C(=O)c3occc3)c4cccs4)cc1OC - non-inhibitor inhibitor - - 853573 Oc1ccnc2cccc(Cc3ccccc3)c12 inhibitor - - inhibitor - 854491 CC[C@@]12CCCN3CCc4c([C@@H]13)n(C(=O)C2)c5ccccc45 - - - - inhibitor 857377 COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN3CCN(CC3)C4CCCCC4 - - non-inhibitor inhibitor - 857842 Cc1nc(\N=C(/N)\Nc2ccccc2)nc3ccccc13 inhibitor - - non-inhibitor - 858229 CCSc1nnc(NC(=O)C(C(F)(F)F)C(F)(F)F)s1 - - inhibitor - non-inhibitor 859331 Cc1nc2sc(C#N)c(N)c2c3CCCCc13 inhibitor - - inhibitor - 859536 COC1(OC)N=C(NC(=O)Nc2ccccc2)C3(C#N)C(c4ccccc4)C13C#N - inhibitor - - non-inhibitor 859733 CNc1oc(nc1C#N)c2ccc(Cl)cc2 inhibitor - inhibitor - - 859751 Fc1ccc(cc1)c2oc(N3CCCC3)c(n2)C#N inhibitor - - non-inhibitor - 860300 CCC(=O)Nc1cc(ccc1N2CCCCC2)C3=NN(C)C(=O)c4ccccc34 - - inhibitor - non-inhibitor 860986 CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N3CCN(CC)CC3 - inhibitor inhibitor - - 861387 [I-].C[n+]1cccc(CNC(=O)\C=N\O)c1 - inhibitor - - - 861403 COc1ccc(cc1OC)c2cc([nH]n2)c3cc(F)ccc3O inhibitor - - - - 861546 CC(C)(C)OC(=O)NCCc1oc(SCC(=O)Nc2cccc(Cl)c2)nn1 - inhibitor - non-inhibitor - 861640 CCOc1ccccc1NC(=O)CSc2nnc(c3cnccn3)n2C - - non-inhibitor - inhibitor 861833 COc1ccc(C)cc1NC(=O)CSc2nnc(c3ccc(OC)c(OC)c3)n2N - - non-inhibitor - inhibitor 861898 [I-].C[n+]1cc(\C=N\O)n(C)c1 - inhibitor - - - 862054 CCN1CCN(CC1)c2nc3ccccc3nc2C(C#N)C(=O)OC4CCCCC4 non-inhibitor - - - inhibitor 862108 CCN1C(=O)C2=C(Oc3c(Cl)cc(Cl)cc3C2=O)N=C1SCC(=O)N4CCOCC4 - - inhibitor - - 862119 COc1ccc(CCN2C(=N)C(=CC3=C2N=C4C=CC=CN4C3=O)C(=O)NCc5occc5)cc1 - - - inhibitor - 862506 COC(=O)[C@H](Cc1ccccc1)NC(=O)N2CCN(Cc3ccccc3)CC2 non-inhibitor - inhibitor - - 862646 CC(C)Oc1ccc(cc1)C2N(CCCn3ccnc3)C(=O)C(=C2C(=O)c4oc(C)cc4)O - - - - inhibitor 863479 Cc1ccc(cc1C)n2ncc3c2ncn4nc(C)nc34 inhibitor inhibitor - - - 863722 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=N)N(CC(C)C)C=N4 non-inhibitor - - inhibitor - 863831 Brc1oc(cc1)c2nc3cc(NC(=O)c4occc4)ccc3[nH]2 inhibitor - - inhibitor - 864480 CN1C(=N)C(=CC2=C1N=C3C=CC=CN3C2=O)S(=O)(=O)c4ccc(F)cc4 - - - inhibitor - 865162 COc1cccc(c1)c2noc(n2)c3cccnc3 inhibitor - - - inhibitor 865244 COc1ccc(cc1OC)c2noc(CCCC(=O)NCCc3ccccc3)n2 - inhibitor inhibitor - - 969516 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O - - - - inhibitor 1051535 COc1cc2c(C=O)c3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34 - - - - inhibitor 1548943 COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O - - - - inhibitor 1622560 CC(C)c1ccc2c(CC[C@@H]3[C@@](C)(CN)CCC[C@]23C)c1 - - - - inhibitor 1715307 COC1=C(C(=O)Oc2cc(OC)cc(OC)c12)c3ccc4OCOc4c3 - - - - inhibitor 2094474 CC(C)CN1C(=C(C(=O)COC(=O)c2cc(nc3ccccc23)c4occc4)C(=O)N(C)C1=O)N - - - - inhibitor 2358568 CN1C(=C(C(=O)COC(=O)c2cc(nc3ccccc23)c4ccccc4)C(=O)N(C)C1=O)N - - - - inhibitor 2364091 CN1C(=C(C(=O)COC(=O)c2cc(nc3ccccc23)c4occc4)C(=O)N(C)C1=O)N - - - - inhibitor 2724629 CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O - - - - inhibitor 2777391 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccncc2 - - - - inhibitor 2809668 OC(=O)c1sccc1S(=O)(=O)Nc2ccccc2N3CCCCC3 - - - - inhibitor 2828334 CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O - - - - inhibitor 2841560 CC(C)CC(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc3C=CC(=O)Oc23 - - - - inhibitor 2846880 CC1CC2(C)Oc3ccccc3C4OCC1(COC(=O)Nc5ccccc5)C(C)C24 - - - - inhibitor 2907920 COc1ccccc1CC(Cc2nc3ccccc3[nH]2)c4nc5ccccc5[nH]4 - - - - inhibitor 2999413 C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 - - - - inhibitor 3095741 Cc1ccc(CC(Cc2nc3ccccc3[nH]2)c4nc5ccccc5[nH]4)cc1 - - - - inhibitor 3232751 O=C(Oc1ccccc1)N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2 inhibitor - - - non-inhibitor 3233735 Cn1cccc1C(=O)N2CCC[C@@]3(CCN(C3)C(c4ccccc4)c5ccccc5)C2 inhibitor - - - inhibitor 3233912 CN1CCN(CC1)c2ncc3N=C(C(=O)N(CCC#N)c3n2)c4cn(C)c5ccccc45 inhibitor - - - non-inhibitor 3234423 O=C(N1CCC[C@@]2(CCN(Cc3ccc(cc3)C#N)C2)C1)c4ccncc4 - - - - inhibitor 3234478 O=C(Nc1cccc(c1)C#N)N2CC3(CCN(CC3)C(=O)Oc4ccccc4)C2 inhibitor - - - non-inhibitor 3235098 COc1ccc(cc1)C2=Nc3cnc(nc3N(Cc4cccc(OC)c4)C2=O)N5CCNCC5 - - inhibitor - inhibitor 3247169 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC)c(OC)c6 - - inhibitor - inhibitor 3247207 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O - - inhibitor - non-inhibitor 3247217 COC(=O)[C@@]1(Cc2ccccc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C - - - non-inhibitor inhibitor 3247257 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(C)n(C)n6 - - inhibitor - inhibitor 3247261 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C - - - non-inhibitor inhibitor 3344818 COC1(C)CCC2OC2(C)CCC3C1CC3(C)C - - - - inhibitor 3363314 CC(=O)OC1Cc2c(OC(=O)C)cc(OC(=O)C)cc2OC1c3ccc(OC(=O)C)c(OC(=O)C)c3 - - - - inhibitor 3378440 Oc1ccc(c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-])[N+](=O)[O-] - - - - inhibitor 3393977 COc1ccc2C=C3N(CCc4cc5OCOc5cc34)C(Cc6ccccc6)c2c1OC - - - - inhibitor 3399411 COc1ccc(cc1OC)C2Oc3c(I)c(OC)cc(OC)c3CC2O - - - - inhibitor 3473650 COc1c2C=CC(C)(C)Oc2cc3OC=C(C(=O)c13)c4ccc5OCOc5c4 - - - - inhibitor 3584988 COc1ccc(cc1)C(C)C(=O)c2ccc(O)cc2O - - - - inhibitor 3589471 OC1=C(O)C2=C(O)C(=O)C=C(C=C2C(=C1)C3Oc4cc(O)cc(O)c4CC3OC(=O)c5cc(O)c(O)c(O)c5)C6Oc7cc(O)cc(O)c7CC6OC(=O)c8cc(O)c(O)c(O)c8 - - - - inhibitor 3646533 CC1=CCc2c(O)c3C(=O)C=C(C)Oc3cc2OC1 - - - - inhibitor 3710744 CC(=O)OCC1OC(Oc2cc(OC(=O)C)c3C(=O)C=C(Oc3c2)c4ccc(OC(=O)C)c(OC(=O)C)c4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C - - - - inhibitor 3711219 Cn1c(SCc2oc(nn2)c3ccc(F)cc3)nnc1C4COc5ccccc5O4 inhibitor - - inhibitor - 3711319 CC(=N)\C(=C(\O)/COc1ncnc2ccc(Br)cc12)\C#N inhibitor - - non-inhibitor - 3711919 COCc1c(oc2ccccc12)C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C inhibitor - - - non-inhibitor 3712307 O=C(CNC(=O)c1occc1)OC(C(=O)c2ccccc2)c3ccccc3 - inhibitor - non-inhibitor - 3712312 O=C(CSc1nnc(c2cccs2)n1c3ccccc3)N4CCCC4 inhibitor - - inhibitor - 3712502 Cc1onc(C)c1CSCC(=O)N2CCN(CC2)c3cccc(C)c3C - - - non-inhibitor inhibitor 3712600 CC1CN=C(Nc2cccc3ccccc23)S1 inhibitor inhibitor - - - 3712953 COc1ccc(cc1OC)c2cc([nH]n2)c3c(O)c(OC)c4occc4c3OC inhibitor - - - inhibitor 3713298 NC1=C(C(=O)CN1CCCN2CCOCC2)c3nc(cs3)c4ccc(F)cc4 - - - - inhibitor 3713412 Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N3CCOCC3)c1C inhibitor - - non-inhibitor - 3713981 Cc1nc(NCc2occc2)c3c4CCCc4sc3n1 inhibitor inhibitor - - - 3714089 Oc1nnc(C(=O)N2CCN(CC2)C3c4ccccc4c5ccccc35)c6ccccc16 - inhibitor inhibitor - - 3714430 Cc1cc(C(=O)CC#N)c(C)n1CC(F)(F)F - - - non-inhibitor inhibitor 3714825 CCN1CCc2nc(NC(=O)c3ccc4OCCOc4c3)sc2C1 inhibitor - - non-inhibitor - 3715494 COc1ccccc1NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)NCc3occc3 - inhibitor inhibitor - - 3716051 Cc1cc(C(=O)Nc2ccc(cc2)N3CCOCC3)c4ccccc4n1 inhibitor non-inhibitor - - - 3717426 OCCCN1C(=O)c2ccccc2N=C1SCC(=O)NCc3ccccc3 - - - - inhibitor 3717536 O=C(CN1CCc2ccccc12)NC(=O)NCc3occc3 inhibitor inhibitor - - - 3717960 CN1\C(=C/C(=O)COC(=O)Cn2nnc(n2)c3ccccc3)\C(C)(C)c4ccccc14 inhibitor - inhibitor - - 3774499 COc1cc2CC3N(C)CCc4c(CO)c(OC)c(OC)c(c34)c2cc1OC - - - - inhibitor 3860435 CC1(C)CC2C1CCC(=C)C(O)CCC2=O - - - - inhibitor 3952178 COc1cc2OCC3Oc4cc5OC(C)(C)C=Cc5c(O)c4C(=O)C3c2cc1OC - - - - inhibitor 4026888 COc1ccc2C(=O)C(Cc3ccc(OC)c(O)c3)COc2c1 - - - - inhibitor 4237483 CN(C)c1ncc2N=C(C(=O)N(C[C@H]3CCCO3)c2n1)c4ccccc4 inhibitor - - - non-inhibitor 4237583 O=C1N(C2CC2)c3ncncc3N=C1CCc4ccccc4 inhibitor - - - inhibitor 4237595 Fc1ccc(CN2C(=O)C(=Nc3cnc(nc23)N4CCNCC4)c5ccc(F)cc5)cc1 inhibitor - - - inhibitor 4237626 O=C1C=Nc2cnc(nc2N1CCc3ccccc3)N4CCNCC4 inhibitor - - - non-inhibitor 4238311 O=C(N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1)c4ccncc4 non-inhibitor - - - inhibitor 4238987 COc1ccc(Oc2ncc3N=C(C)C(=O)N(Cc4cccs4)c3n2)cc1 inhibitor - - - inhibitor 4239162 COCCN1C(=O)C(=Nc2cnc(OC)nc12)c3ccc(OC)cc3 inhibitor - - - inhibitor 4239229 COc1ccc(cc1)N2C(=O)C(=Nc3cnc(Oc4cccc(Cl)c4)nc23)C inhibitor - - - inhibitor 4239286 COCCN1C(=O)C(=Nc2cnc(OC)nc12)c3ccc(Cl)cc3 inhibitor - - - inhibitor 4239502 COc1ccc(Oc2ncc3N=C(C)C(=O)N(C[C@@H]4CCCO4)c3n2)cc1 - - - non-inhibitor inhibitor 4239650 COC(=O)N1CCC2(CCCN(C2)c3ccccn3)CC1 - inhibitor - - non-inhibitor 4239804 O=C1N(c2ccccc2)c3nc(ncc3N=C1c4cccs4)N5CCNCC5 inhibitor - - - inhibitor 4239862 COc1cccc(CN2C(=O)C=Nc3cnc(nc23)N4CCN(C)CC4)c1 - non-inhibitor - - inhibitor 4240145 O=C(Nc1cccc(c1)C#N)N2CC[C@@]3(CCCN(C3)S(=O)(=O)c4ccccc4)C2 inhibitor - - - inhibitor 4240274 O=C1C=Nc2cnc(nc2N1Cc3cccs3)N4CCOCC4 inhibitor - - - non-inhibitor 4240402 CCNc1ncc2N=C(C(=O)N(Cc3ccc(F)cc3)c2n1)c4cccs4 inhibitor - - - inhibitor 4240492 CC1CCCC(NC(=O)c2nnc(O)c3ccccc23)C1C inhibitor - - - - 4240524 Cc1ccc(NC(=O)CN2C=Nc3c(cnn3C(C)(C)C)C2=O)cc1 - non-inhibitor inhibitor - - 4240627 COC(=O)c1ccc(OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)c4occc4)cc1 - inhibitor inhibitor - - 4240634 O=C(CCNS(=O)(=O)c1cccs1)N2CCc3ccccc3C2 - inhibitor non-inhibitor - - 4240670 FC(F)(F)c1cc(nc2c(cnn12)C(=O)NC3CCCC3)c4occc4 inhibitor - - - - 4240704 CCOC(=O)N1CCN(Cc2nc3N(C)C(=O)NC(=O)c3n2Cc4ccccc4C)CC1 - - - - inhibitor 4240786 COc1ccccc1NC(=O)C2=C(C)Nc3nc(nn3C2c4ccncc4)c5ccc(cc5)N(C)C - - inhibitor - inhibitor 4240828 COc1ccccc1n2c(O)c3cnnc3nc2SCC(=O)Nc4ccccc4F - - - inhibitor - 4240857 COc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCc4ccccc34 inhibitor - - - - 4240883 Cc1oc(nc1CS(=O)CC(=O)NCCN2CCN(Cc3ccccc3)CC2)c4ccccc4C non-inhibitor - - - inhibitor 4240904 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3nc(sc3c2)N4CCC(C)CC4 non-inhibitor - inhibitor - - 4241079 Cc1nc2nc(SCC(=O)NCc3occc3)nn2c(C)c1Cc4c(F)cccc4Cl - - inhibitor - inhibitor 4241082 CCOC(=O)c1nc(O)c2c(C)c(C)sc2n1 - inhibitor - - non-inhibitor 4241113 COc1ccc(NC(=O)N(C(C)c2cccnc2)C3CCCCC3)c(OC)c1 - - - non-inhibitor inhibitor 4241301 Cc1cc(NC(=O)CSC2=Nc3ccsc3C(=O)N2Cc4ccccn4)[nH]n1 inhibitor - - non-inhibitor - 4241367 COc1ccc(cc1)c2oc(cc2)C(=S)N3CCN(CC3)C(=O)C inhibitor - inhibitor - - 4241588 CCC(CC)C(=O)NCc1ccc2c(cc(C)n2C)c1 inhibitor - - - - 4241710 COc1cc(NC(=O)CCCC#CC)nc(OC)n1 inhibitor - - - - 4241725 COc1ccc(CCNC(=O)CCN2C(=O)COc3ccc(C)cc23)cc1OC non-inhibitor - - - inhibitor 4241754 COc1ccccc1NC(=O)CN2CCN(CC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)CC2 - inhibitor - - inhibitor 4241769 CC1(O)CC(=O)N(O1)c2ccccc2 - - inhibitor - non-inhibitor 4241892 Cc1cc(nn1CC(=O)Nc2cccnc2)C(F)(F)F inhibitor - - - - 4242247 COc1ccc(CNC(=O)Nc2cccs2)cc1OC - inhibitor - non-inhibitor - 4242299 CN(C)c1ccc(cc1)c2nc3N=C4CC(C)(C)CC(=C4C(c5cccnc5)n3n2)O inhibitor - - - inhibitor 4242392 CN1C(=O)N(C)c2ccc(cc2C1=O)S(=O)(=O)NCCC(=O)NCCc3ccc(Cl)cc3 inhibitor - - - - 4242540 COc1ccccc1NC(=O)C2=C(C)Nc3nnnn3C2c4cccc(Br)c4 - - - - inhibitor 4242570 Cc1ccc2OC(CNc2c1)C(=O)NC3CCCCC3 - inhibitor - non-inhibitor - 4242574 CCCc1n[nH]c2OC(=C(C#N)C(c3ccncc3)c12)N - - inhibitor - - 4242577 CC1=C(C(c2cccnc2)n3nc(nc3N1)c4cccs4)C(=O)Nc5cccnc5 inhibitor - inhibitor - - 4242652 CN(C)C(CNC(=O)NC1CCCCC1)c2cccnc2 non-inhibitor - inhibitor - - 4242659 CCOc1ccc(cc1)n2ccnc2SCC(=O)Nc3nnc(CC)s3 - inhibitor - non-inhibitor - 4242708 CC1(O)N(CCc2ccccc2F)C(=O)c3ccccc13 - inhibitor - - non-inhibitor 4242724 Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CCC(=O)N3Cc4ccccc4Cl inhibitor - - - - 4242740 OC(=O)CN1CCN(Cc2ccccc2Cl)C1=O inhibitor - non-inhibitor - - 4242796 CCOC(=O)c1oc2ccccc2c1NC(=O)c3cc(OC)cc(OC)c3 inhibitor - - - inhibitor 4242914 O=C(N1CCC2(CC1)OCCO2)c3cc(nc4ccccc34)c5ccccc5 - inhibitor - non-inhibitor - 4242953 CN(CCCNC(=O)CS(=O)Cc1nc(oc1C)c2ccccc2C)c3ccccc3 inhibitor - - - inhibitor 4243019 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(CCCOC)/C/1=N/C(=O)C(C)(C)C - - inhibitor non-inhibitor - 4243034 O=C(N1CCCC1)c2ccc3C(=O)N(Cc4ccccc4)C(=Nc3c2)SCC#N - - inhibitor non-inhibitor - 4243056 O=C(CCN1C(=O)C2C3CC(C=C3)C2C1=O)NCCN4CCCc5ccccc45 inhibitor - - - inhibitor 4243060 Nc1nc(SCC#N)c(C#N)c(C2CCCCC2)c1C#N inhibitor - - - inhibitor 4243142 Fc1ccccc1C2N3CCCC3C(=O)N2c4ccc(Cl)cc4 inhibitor - - non-inhibitor - 4243198 COc1ccc(cc1Cl)C(=O)Nc2ccc(Cl)cn2 inhibitor - - inhibitor - 4243252 COc1ccc(OC)c2nc(O)c(CCNC(=O)COc3ccccc3)cc12 - - - non-inhibitor inhibitor 4243338 CCC(C)(NC(=O)c1ccccn1)C(=O)NC2CCCCC2 non-inhibitor inhibitor - - - 4243433 O=C(CCCN1C(=S)Nc2cc3OCOc3cc2C1=O)N4CCN(CC4)c5ncccn5 - - - inhibitor inhibitor 4243504 CCOCCn1c(CN(Cc2ccccc2)Cc3ccccc3)nc4N(C)C(=O)NC(=O)c14 non-inhibitor - inhibitor - - 4243523 CC(C)OC(=O)CN1CCN(CC1)C2c3ccccc3c4ccccc24 - inhibitor - inhibitor - 4243654 CC1CCCCN1CCNC(=O)CN2N=C(C=CC2=O)c3ccc(C)cc3 non-inhibitor - - inhibitor - 4243842 Brc1ccc(s1)S(=O)(=O)NCC(=O)N2CCC3(CC2)OCCO3 - inhibitor - non-inhibitor - 4243920 COc1ccccc1C2N(CCO)C(=O)C(=C2C(=O)c3ccccc3)O inhibitor - - - non-inhibitor 4243953 CC1CCC(CC1)NC(=O)c2oc(CS(=O)(=O)Cc3ccccc3F)cc2 inhibitor - - - - 4244016 COc1ccc(CN2CC(CC2=O)C(=O)NCCC3=CCCCC3)cc1 non-inhibitor inhibitor - - - 4244148 Cc1cc(O)nc(SCC(=O)Nc2nc3CCCCc3s2)n1 - inhibitor - non-inhibitor - 4244291 S=C1SCN(CCN2CCOCC2)CN1Cc3ccccc3 inhibitor inhibitor - - - 4244463 COc1ccc2nc(sc2c1)N3CCCC(C3)C(=O)NCCCN4CCN(C)CC4 - - inhibitor - non-inhibitor 4244493 C\C(=N/n1nnnc1Nc2ccccc2)\c3ccc(N)cc3 - inhibitor - non-inhibitor - 4244500 Fc1ccc(cc1)C2=NOC(C2)C(=O)NC3CCCC3 - inhibitor - non-inhibitor - 4244546 CCOc1ccc(cc1NC(=O)C)C(F)(F)F inhibitor - - - non-inhibitor 4244571 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc(F)cc3F inhibitor - - non-inhibitor - 4244593 O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCCc3ccccc3 - inhibitor - - inhibitor 4244619 Cc1c2CCCCc2nc3c(cnn13)C(=O)NC4CCCC4 inhibitor - non-inhibitor - - 4244663 CCN(CC)CCN1C(=S)Nc2cc3OCOc3cc2C1=O - - non-inhibitor inhibitor - 4244713 O=C(Nc1cccnc1)c2ccc3snnc3c2 inhibitor - - - - 4244770 CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)c3ccccc3F inhibitor - - - non-inhibitor 4244777 CN(Cc1occc1)C(=O)c2cnc3ccc(cc3c2O)S(=O)(=O)Nc4ccccc4C - - - - inhibitor 4244784 O=C(NCc1ccc2OCOc2c1)C3CN(C4CCCC4)C(=O)C3 - - non-inhibitor - inhibitor 4244889 COC(=O)C1=C(CCS1)NC(=O)c2cccs2 inhibitor - - non-inhibitor - 4244899 COC(=O)Sc1oc(nn1)c2ccc(Br)cc2 inhibitor - - - non-inhibitor 4244940 Cc1oc(nc1CSCC(=O)NC2CC2)c3ccccc3Cl - - - non-inhibitor inhibitor 4244969 CCc1ccccc1NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2N - inhibitor - - inhibitor 4245025 CCCCO\C(=C/1\C(c2ccc(OC)c(OC)c2OC)n3nnnc3N=C1C)\O inhibitor - - non-inhibitor - 4245105 Cc1nc2c(cnn2c(O)c1Cc3ccccc3F)C(=O)NCc4ccc5OCOc5c4 - - inhibitor - inhibitor 4245114 CCOC(=O)c1ccc(NC(=O)Nc2ccc3N(CC)C(=O)c4cccc2c34)cc1 inhibitor - - - non-inhibitor 4245140 Sc1nnc(n1Cc2occc2)C34CC5CC(CC(C5)C3)C4 inhibitor inhibitor - - - 4245155 Clc1cccc(c1)N2CCN(CC2)C(=O)C3CCC(=O)N3Cc4ccccc4Cl inhibitor - - - inhibitor 4245191 COc1ccc(OC)c2nc(O)c(CCNS(=O)(=O)c3ccccc3)cc12 - inhibitor - non-inhibitor - 4245202 CCOC(=O)CN1C(=O)Oc2cc(ccc12)S(=O)(=O)NCCc3ccc(OCC)c(OCC)c3 - - inhibitor - - 4245209 CSc1cccc(NC(=O)Cn2cccc2)c1 inhibitor inhibitor - - - 4245312 CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)c(C)n1C - inhibitor - - inhibitor 4245428 Cc1oc(nc1CS(=O)CC(=O)N2CCC3(CC2)OCCO3)c4ccccc4F inhibitor - - non-inhibitor - 4245496 COc1ccc(cc1)N2CCC(CNC(=O)Nc3ccc(OC)cc3OC)C2 - - - - inhibitor 4245512 CC(C)CC(=O)NCc1ccc2c(cc(C)n2C)c1 inhibitor - - non-inhibitor - 4245574 CCC(Sc1nc(C)cc(O)n1)C(=O)Nc2nc3CCCCc3s2 - - inhibitor non-inhibitor - 4245624 O=C(NC1CCCc2ccccc12)C3CCN(CC3)S(=O)(=O)N4CCCCCC4 non-inhibitor - - - inhibitor 4245647 Cc1nnc2nc(SCC(=O)NCC3CCCO3)n(c(N)c12)c4ccc(Br)cc4 inhibitor - - inhibitor - 4245655 Cc1ccccc1CN2C=Nc3c(cnn3C(C)(C)C)C2=O non-inhibitor inhibitor - - - 4245695 CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c2sccc2C - inhibitor - non-inhibitor - 4245811 CC(C)NC(=O)C1CN(C(=O)C1)c2ccc(F)c(Cl)c2 inhibitor - - - non-inhibitor 4245852 CN1C(=O)c2nc(oc2c3ccccc13)c4ccccc4 inhibitor - - - - 4246078 CCN1C(=O)C2=C(CC(C)S2)N=C1SCC(=O)NC3CCCCC3 - - non-inhibitor inhibitor - 4246090 COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN3CCN(CC3)c4ccccn4 - - inhibitor non-inhibitor - 4246093 CCOC(=O)N1CCN(CC1)C(=O)c2oc3ccc(cc3c2C)S(=O)(=O)N4CCCCC4 non-inhibitor - inhibitor - - 4246149 O=C(C1CCN(CC1)S(=O)(=O)c2cccc3nsnc23)N4CCn5c4nc6ccccc56 - inhibitor - - - 4246179 COc1ccc(CCNC(=O)C2CCCN(Cc3nc(oc3C)c4cccc(Cl)c4)C2)cc1OC - - inhibitor - inhibitor 4246249 ON1C(Nc2ccccc2C1=O)c3ccc4OCOc4c3 inhibitor inhibitor - - - 4246287 COc1ccc(CN2C(C(=O)N(CC2=O)C3CCCCCC3)c4ccc(OC)c(OC)c4)cc1 - - - non-inhibitor inhibitor 4246294 Fc1ccc2nc(Nc3nc4CCCCc4s3)sc2c1 inhibitor - - non-inhibitor - 4246322 CCCCCn1c(CN2CCCCC2C)nc3N(C)C(=O)N(C)C(=O)c13 non-inhibitor - - - inhibitor 4246446 OC(=O)c1cccc(c1)N2CCCC2=O - - - inhibitor inhibitor 4246673 O=C(NCc1occc1)Nc2cccs2 inhibitor - - - - 4246674 CC1CCCN(C1)C(C(=O)Nc2ccc3OCCOc3c2)c4ccccc4 - - - inhibitor - 4246686 CN1C(=O)Oc2cc(ccc12)S(=O)(=O)NCCC(=O)N3CCC(=CC3)c4ccccc4 - inhibitor - non-inhibitor - 4246741 O=C1SC(=C/C/1=C\N2CCCCC2)c3ccccc3 inhibitor inhibitor - - - 4246835 CCOc1ccc(cc1N2C(=O)C3C4C=CC(C3C2=O)C4=C(C)C)C(=O)C inhibitor - inhibitor - - 4246855 CC1CCCC(C)N1C(=O)c2cc(on2)c3ccc(Cl)c(Cl)c3 inhibitor - - non-inhibitor - 4246905 CCOc1ccc(c2cccnc12)S(=O)(=O)NCc3ccc(F)cc3 non-inhibitor inhibitor - - - 4246945 Cc1ccccc1CN2CCN(CC(=O)NCCCN3CCN(CC3)c4ccc(F)cc4)C2=O non-inhibitor - - inhibitor - 4246970 COc1ccc(cc1)C2N(C3CCCC3)C(=O)CN(CCc4ccccc4)C2=O non-inhibitor - - - inhibitor 4247230 COc1ccc(NC2=CC(=O)N(C3CCCCC3)C(=O)N2)c(OC)c1 - inhibitor - non-inhibitor - 4247261 CCOC(=O)NCc1ccc2c(cc(C)n2C)c1 inhibitor - - - - 4247409 CCN1C(=O)C=C(SCC(=O)NCc2ccc3OCOc3c2)c4ccccc14 - - inhibitor - inhibitor 4247435 CCN1C(=O)\C(=C\2/SC(=NC2=O)N3CCCCC3)\c4ccccc14 inhibitor - - inhibitor - 4247451 O=C(C1CCN(CC1)S(=O)(=O)c2cccc3nsnc23)N4CCc5ccccc45 inhibitor - inhibitor - - 4247524 Cc1ccc(CS(=O)(=O)CCC(=O)NCc2cccs2)cc1 - - inhibitor - - 4247546 COc1ccc(cc1)S(=O)(=O)N2CC3C4CC(C=C4)C3C2 non-inhibitor inhibitor - - - 4247638 CCOC(=O)N1CCN(CC1)C(=O)C(CC)N2N=C(C)c3sc4ccccc4c3C2=O - - inhibitor - inhibitor 4247689 COC(=O)C1=C(CCS1)NC(=O)c2cccc(OC)c2 inhibitor - - non-inhibitor - 4247705 CCc1ccccc1NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2N inhibitor non-inhibitor - - - 4247768 Oc1[nH]c2ccccc2c1\C=N\c3nccs3 inhibitor - - - - 4247838 O=S(=O)(Nc1ccc2OCCOc2c1)c3cccc4cccnc34 inhibitor inhibitor - - - 4248024 CN1C(=O)N(C)c2ccc(cc2C1=O)S(=O)(=O)NCCC(=O)N3CCC(=CC3)c4ccccc4 - - - - inhibitor 4248128 COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NCc2ccc3OCOc3c2 - - non-inhibitor - inhibitor 4248167 CCCC(=O)Nc1c2CSCc2nn1c3ccc(C)cc3C - inhibitor - - inhibitor 4248194 COc1ccc(OC)c2nc(O)c(CCNS(=O)(=O)c3ccc(C)cc3)cc12 - - inhibitor - inhibitor 4248214 Cc1ccc(CN2CC34OC(C=C3)C(C4C2=O)C(=O)NCc5ccc6OCOc6c5)cc1 - - - - inhibitor 4248295 Cc1ccccc1NS(=O)(=O)c2ccc3ncc(C(=O)NCCCN4CCOCC4)c(O)c3c2 - - - - inhibitor 4248391 COC(=O)C1Cc2c(CN1)[nH]c3ccccc23 inhibitor inhibitor - - - 4248426 Cc1cccc(c1)n2nnc(C(=O)NC3CCCc4ccccc34)c2N - - - inhibitor inhibitor 4248428 Fc1ccc(CN2C(=O)CSc3ccc(cc23)C(=O)N4CCOCC4)cc1 - inhibitor - non-inhibitor - 4248431 Cc1c(oc2ccc(cc12)S(=O)(=O)NCc3ccc4OCOc4c3)C(=O)O - non-inhibitor inhibitor - - 4248559 CCc1noc(N)c1C(=O)Nc2ccc(F)c(Cl)c2 inhibitor - - - - 4248565 FC(F)(F)c1ccc(N2CCOCC2)c(Nc3nc4ccccc4n5cnnc35)c1 inhibitor inhibitor - - - 4248573 CC1=C(C(c2ccccc2)n3nc(nc3N1)c4ccncc4)C(=O)N - inhibitor inhibitor - - 4248661 Nc1cccc2cnccc12 - - - - inhibitor 4248663 COC(=O)C1=C(CCS1)NC(=O)c2ccc(C)c(C)c2 inhibitor - - - - 4248728 CSc1ccc(NC(=O)NCCCN2CCN(CC2)c3ccccc3F)cc1 inhibitor - - inhibitor - 4248756 Fc1ccc(cc1)C2N3CCCC3C(=O)N2c4nccs4 inhibitor - - - - 4248764 O=C(NCCC1=CCCCC1)C2CCCN(C2)c3oc4ccccc4n3 - inhibitor inhibitor - - 4248861 Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(on3)c4occc4)c2C)cc1 - - - non-inhibitor inhibitor 4248885 S=C1SCN(Cc2ccccn2)CN1Cc3occc3 - inhibitor - - - 4249007 CCC(=O)Nc1cccc(c1)C2=Nc3ccccc3C(=O)O2 inhibitor - - - - 4249017 Cc1ccc(CN2CC34OC(C=C3)C(C4C2=O)C(=O)NCc5occc5)cc1 - - non-inhibitor - inhibitor 4249118 Cc1ccc(CCN2CC(CC2=O)C(=O)N3CCC4(CC3)OCCO4)cc1 inhibitor non-inhibitor - - - 4249121 Cc1ccc(C)n1CCN2CCN(CC(=O)Nc3cc(ccc3Cl)C(F)(F)F)CC2 - inhibitor - - - 4249194 COc1ccc(cc1)C(=O)NCc2cn3ccccc3n2 inhibitor - - non-inhibitor - 4249246 O=C1NN(C(=O)c2ccccc12)c3cccc4cccnc34 inhibitor - - - - 4249269 O=C(OCN1N=Nc2ccccc2C1=O)c3cccnc3 - - - non-inhibitor inhibitor 4249273 COc1cccc(c1)c2cc(nc(n2)N3CCOCC3)C(F)(F)F inhibitor - - non-inhibitor - 4249341 CN1C(=O)\C(=N/C(=O)C)\c2c3ccccc3c(O)c4cccc1c24 inhibitor - - non-inhibitor - 4249432 CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(CCOC)/C/1=N/C(=O)C(C)(C)C inhibitor - - non-inhibitor - 4249453 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)Nc4ccc5OCCOc5c4 - non-inhibitor inhibitor - - 4249488 COc1cccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCCN4CCOCC4)c(O)c3c2)c1 - - inhibitor - inhibitor 4249546 Oc1ccc(Cl)cc1N2C(SCC2=O)c3ccccc3F - inhibitor - - - 4249564 CC1CCN(CC1)C(=O)c2oc(COc3ccccc3Cl)cc2 inhibitor inhibitor - - - 4249569 Cc1c(oc2ccc(cc12)S(=O)(=O)N3CCOCC3)C(=O)NC4CCCc5ccccc45 non-inhibitor - inhibitor - - 4249617 CC1=Nc2c(cnn2c3ccc(F)cc3)C(=O)N1c4ccc(C)c(C)c4 inhibitor - - - - 4249697 FC(F)(F)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c3cccc4cccnc34)c1 inhibitor - inhibitor - - 4249821 CC1=Nc2ccccc2C(=O)N1NC(=O)c3ccccc3Cl - - inhibitor non-inhibitor - 4249966 COc1ccc(cc1)S(=O)(=O)N2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2 - - non-inhibitor - inhibitor 4250068 CC(C)c1ccc(O)c(NC(=O)c2nc[nH]n2)c1 - - - non-inhibitor inhibitor 4250100 CCCCN(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)c2ccccc2 - - - non-inhibitor inhibitor 4250124 Fc1ccc(cc1)n2nc3CS(=O)(=O)Cc3c2NC(=O)CCC4CCCCC4 non-inhibitor - - - inhibitor 4250170 O=C(NCC1COc2ccccc2O1)C3CCN(CC3)S(=O)(=O)c4cccc5nsnc45 non-inhibitor - - inhibitor - 4250207 O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c3cccc4cccnc34 non-inhibitor - - inhibitor - 4250265 Cc1cccc(c1)c2oc(C)c(CN3CCCC(C3)C(=O)NC4CCCCC4)n2 - - - inhibitor inhibitor 4250303 O=C(NCC1CCCO1)C2N(Cc3ccc4OCOc4c3)C(=O)c5ccccc25 - non-inhibitor - - inhibitor 4250357 Fc1ccccc1CN2CCNC2=O inhibitor - - - - 4250361 COC(=O)c1ccccc1NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34 - inhibitor inhibitor - - 4250513 Cc1ccc(CNC(=O)c2nnn(c2N)c3cccc(C)c3)cc1 inhibitor - - - - 4250651 CCOc1ccc(NC(=O)N(C(C)c2ccncc2)C3CCCCC3)cc1 - inhibitor inhibitor - - 4251016 CSc1nncc(n1)c2ccc(F)c(F)c2 inhibitor - - - non-inhibitor 4251055 CCC(C)NC(=O)c1cnn2c(C)c3CCCCc3nc12 inhibitor - non-inhibitor - - 4251141 COc1ccc(cc1)n2ccnc2SCC(=O)Nc3ccccc3 - inhibitor inhibitor - - 4251188 COc1ccc2c(CCc3c2onc3C(=O)N4CCCCCC4)c1 inhibitor - - - - 4251248 CCC(C)N1C(C(=O)NC2CCCCC2C)C34OC(C=C3)C(C4C1=O)C(=O)Nc5cccc(OC)c5 non-inhibitor - - inhibitor - 4251314 COc1ccc(cc1OC)c2cc(nc(NC3CCCC3)n2)C(F)(F)F inhibitor - inhibitor - - 4251450 COc1cccc(c1)C2=NOC(C2)C(=O)Nc3cccnc3 inhibitor inhibitor - - - 4251500 CCCCCC(=O)Nc1cccc(c1)c2oc3cccnc3n2 inhibitor - - - - 4251528 COCCCNC(=O)C1CCC(=O)N1Cc2ccccc2Cl - - inhibitor - non-inhibitor 4251786 CCOc1ccccc1C2C(=C(C)Nc3nc(nn23)c4ccc(OC)cc4)C(=O)N - inhibitor - inhibitor - 4251814 CN1C(=C(NC(=O)OCCNC(=O)Nc2ccccc2)SC1=S)C inhibitor - inhibitor - - 4251901 Cc1ccc2nc(oc2c1)c3cccnc3 inhibitor - - inhibitor - 4251946 COc1ccc(cc1)S(=O)(=O)N2CCCN(CCC(=O)Nc3cccc(c3)C(F)(F)F)CC2 - inhibitor - inhibitor - 4251992 CCOc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)C(=O)C inhibitor - - - non-inhibitor 4252151 COc1cccc(Cn2nnc3c(O)nc(nc23)C4CCCN(C4)C(=O)c5ccccc5Cl)c1 - - inhibitor - inhibitor 4252229 O=C(Nc1ccccn1)C(NS(=O)(=O)c2cccc3nsnc23)c4ccccc4 - - inhibitor non-inhibitor - 4252268 CC1CCCCN1C(=O)c2oc3nc4cc(C)ccc4cc3c2 inhibitor - - non-inhibitor - 4252282 Fc1ccc(cc1)N2CCN(CC2)C(=O)CCS(=O)(=O)c3cccs3 - inhibitor inhibitor - - 4252393 O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N3CCC4(CC3)OCCO4 inhibitor - - non-inhibitor - 4253497 [NaH].CC[C@@](O)(C(=O)O)C1=C(CO)C(=O)N2Cc3cc4ccccc4nc3C2=C1 inhibitor - - - - 4254276 CN1[C@@H](C\C(=N\O)\C[C@@H]1c2ccccc2)c3ccccc3.CC4(C)[C@@H]5CC[C@@]4(CS(=O)(=O)O)C(=O)C5 inhibitor - - - - 4262034 CCOc1ccc(cc1Cl)C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c4cccs4 - - inhibitor - inhibitor 4263901 OC1Cc2c(O)cc(O)cc2OC1C3=CC(=O)C(=C4C(=C(O)C=C(C5Oc6cc(O)cc(O)c6CC5O)C4=C3)O)O - - - - inhibitor 4303567 COc1ccc(cc1)C2=CC(=O)c3c(OC(=O)C)cc(OC(=O)C)cc3O2 - - - - inhibitor 4304691 OC1=C(Oc2ccc3occc3c2C1=O)c4ccccc4 - - - - inhibitor 4342730 COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(=C)CO - - - - inhibitor 4372720 COc1ccc(C(=O)C2C3C4COC(O4)C(=O)C3C5C=Cc6ccccc6N25)c(OC)c1 - - - - inhibitor 4565183 COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2cc1OC - - - - inhibitor 4572500 COc1ccc2C(O)C(Cc3ccc(OC)c(OC)c3)COc2c1 - - - - inhibitor 4574925 CC(=CCc1c2OC(C)(C)C=Cc2c(OC(=O)C)c3C(=O)C(=C(Oc13)c4ccccc4)OC(=O)C)C - - - - inhibitor 4587968 COc1c2C=CC(C)(C)Oc2ccc1C3=COc4cc5OC(C)(C)C(O)Cc5cc4C3=O - - - - inhibitor 4620898 COc1ccc2C=C3c4cc(OC)c(OC)cc4OCC3(O)Oc2c1 - - - - inhibitor 4643334 COc1ccc2C(=O)C(Cc3ccc(OC)c(OC)c3)COc2c1 - - - - inhibitor 4673190 COC(=O)c1c(C)c2Oc3c(Cl)c(OC(=O)C)c(Cl)c(C)c3C(=O)Oc2cc1OC - - - - inhibitor 4677798 CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12 - - - - inhibitor 4979942 OC(CCC1C(N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4 - - - - inhibitor 5273621 COC1=CC(=O)OC(=C1)\C=C\c2ccccc2 - - - - inhibitor 5280371 Oc1c2C=CC(=O)Oc2cc3occc13 - - - - inhibitor 5280795 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C - - - - inhibitor 5280934 CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O - - - - inhibitor 5280960 Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1 - - - - inhibitor 5281004 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO - - - - inhibitor 5281034 C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)\C(=C/O)\C[C@]4(C)[C@H]3CC[C@]12C - - - - inhibitor 5281567 COC1=CC(=O)O[C@H](C1)\C=C\c2ccc3OCOc3c2 - - - - inhibitor 5281576 C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 - - - - inhibitor 5281701 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)c(O)c(O)c3 - - - - inhibitor 5282096 OC\C=C\c1ccc(O)c(O)c1 - - - - inhibitor 5284469 ClCC1(CCl)C(=C)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl - - - - inhibitor 5287174 COc1ccc(\C=C\C(=O)c2cccs2)cc1OC - - - - inhibitor 5287281 C\C=C(/C)\C(=O)OC1C(OC(=O)C)C(C)(C)Oc2ccc3C=CC(=O)Oc3c12 - - - - inhibitor 5287792 Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccccc4 - - - - inhibitor 5287844 ONC1=C2C=CC=CC2=N/C/1=C/3\C(=O)Nc4cc(Br)ccc34 - - - - inhibitor 5288209 C\C(=C/C=C/C(=C/C(=O)Nc1ccc(O)cc1)/C)\C=C\C2=C(C)CCCC2(C)C - - - - inhibitor 5289419 COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)\c2c1 - - - - inhibitor 5311257 COc1ccc(cc1)c2oc3cc(OC)ccc3c2C(=O)c4ccc(cc4)C#N - - - - inhibitor 5311276 CCCOc1ccc(Br)cc1c2cc([nH]c2c3ccncc3)c4ccc(Cl)cc4 - - - - inhibitor 5311299 COc1cc(N)c(Cl)cc1C(=O)OCCN2CCCCC2 - - - - inhibitor 5312331 CCCCCCCCCCC\C=C/C(C)(C)\C=C/CCCC(=O)O inhibitor - - - non-inhibitor 5315334 C\C=C(\C)/C(=O)OC1Cc2c(OC1(C)C)ccc3C=CC(=O)Oc23 - - - - inhibitor 5317564 CC(=CCC\C(=C\COc1c2OC(=O)C=Cc2cc3ccoc13)\C)C - - - - inhibitor 5318562 CC1=CC(=O)c2c(O)cc(O)c(C)c2O1 - - - - inhibitor 5320010 COc1ccc2[C@@H](OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34 - - - - inhibitor 5326976 CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 - - - - inhibitor 5337402 COc1ccc(\C=C\C(=O)c2cccs2)c(OC)c1 - - - - inhibitor 5353527 CC(C)CCCC(C)C1CCC2\C(=C\C=C\3/CC(O)CCC3=C)\CCCC12C - - - - inhibitor 5353574 CN(NO)C1=CC(=O)C=CC1=O inhibitor - - - non-inhibitor 5353610 CC(C)C(C)\C=C\C(C)C1CCC2\C(=C\C=C\3/CC(O)CCC3=C)\CCCC12C - - - - inhibitor 5354284 CC1=CC(=O)Oc2cc(O)cc(O)c12 - - - - inhibitor 5357218 Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1 - - - - inhibitor 5375083 CC1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 - - - - inhibitor 5377381 Oc1cc(O)c2C(=O)C(=COc2c1)c3ccccc3 - - - - inhibitor 5379071 COc1cc(O)c(C(=O)\C=C\c2ccc(OC)c(O)c2)c(OC)c1 - - - - inhibitor 5397276 COc1ccccc1C2=COc3cc(O)ccc3C2=O - - - - inhibitor 5459440 S=C(CCCC#C)Nc1ccccc1 inhibitor - - - non-inhibitor 5459522 CC(Cc1ccccc1)C(=O)NCCO - - - - inhibitor 5459523 CC(Cc1ccccc1)C(=O)NCCc2c[nH]c3ccccc23 - - - - inhibitor 5459524 CC(Cc1ccccc1)C(=O)N[C@@H](CO)Cc2ccccc2 - - - - inhibitor 5459525 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C=C\[C@@H](C)C(=O)NCc3ccccc3 - - - - inhibitor 5459528 CC(Cc1ccccc1)C(=O)NCc2cc(C)n(C)n2 - - - - inhibitor 5459529 CC(Cc1ccccc1)C(=O)NCc2nn(nc2C)c3ccccc3 - - - - inhibitor 5459535 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C=C\[C@@H](C)C(=O)N(C)Cc3ccccc3 - - - - inhibitor 5459538 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C=C\[C@@H](C)C(=O)NCc3cc(C)n(C)n3 - - - - inhibitor 5459539 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NC3CCCCC3)\C - - - - inhibitor 5459540 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N3CCN(C)CC3)\C - - - - inhibitor 5459541 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N(C)Cc3cccnc3)\C - - - - inhibitor 5459542 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cc(F)cc(F)c3)\C - - - - inhibitor 5459543 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cc(C)on3)\C - - - - inhibitor 5459544 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3nn(nc3C)c4ccccc4)\C - - - - inhibitor 5459545 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3nc4ccccc4s3)\C - - - - inhibitor 5459546 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cccnc3)\C - - - - inhibitor 5459548 CC(Cc1ccccc1)C(=O)NCc2ccncc2 - - - - inhibitor 5459549 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C=C\[C@@H](C)C(=O)NCc3ccc(OC)c(O)c3 - - - - inhibitor 5459550 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C=C\[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34 - - - - inhibitor 5459551 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCCc3c[nH]c4ccc(OC)cc34)\C - - - - inhibitor 5459552 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCCN3CCOCC3)\C - - - - inhibitor 5459553 CNC(=O)[C@H](C)\C=C\C(NC(=O)OCc1ccccc1)c2ccc(cc2)C(=O)OC - - - - inhibitor 5459554 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C=C\[C@@H](C)C(=O)NCCN3CCCC3 - - - - inhibitor 5459555 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCCO)\C - - - - inhibitor 5459556 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)Nc3ccc(OC)cc3)\C - - - - inhibitor 5459557 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N[C@@H](CO)Cc3ccccc3)\C - - - - inhibitor 5459558 CCNC(=O)[C@H](C)\C=C\C(NC(=O)OCc1ccccc1)c2ccc(cc2)C(=O)OC - - - - inhibitor 5459559 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C=C\[C@@H](C)C(=O)N[C@H](C)CO - - - - inhibitor 5459560 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)Nc3ccccc3)\I - - - - inhibitor 5459561 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCC3CC3)\I - - - - inhibitor 5459562 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccc(OC)c(O)c3)\I - - - - inhibitor 5459564 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3oc(C)cc3)\I - - - - inhibitor 5459566 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccncc3)\I - - - - inhibitor 5459567 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N(C)Cc3cccnc3)\F - - - - inhibitor 5459568 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCCc3c[nH]c4ccc(OC)cc34)\F - - - - inhibitor 5459569 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCCO)\F - - - - inhibitor 5459570 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)Nc3ccc(OC)cc3)\F - - - - inhibitor 5459571 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N[C@@H](CO)Cc3ccccc3)\F - - - - inhibitor 5459572 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3nc4ccccc4s3)\F - - - - inhibitor 5459574 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NC3CCCCC3)\F - - - - inhibitor 5459575 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCCN3CCOCC3)\F - - - - inhibitor 5459576 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cc(F)cc(F)c3)\F - - - - inhibitor 5459577 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cc(C)on3)\F - - - - inhibitor 5459579 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cccnc3)\F - - - - inhibitor 5459580 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccc(cc3)c4ccccc4)\F - - - - inhibitor 5459581 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccc(OC)c(OC)c3)\F - - - - inhibitor 5459583 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N(C)C)\c3cccnc3 - - - - inhibitor 5459584 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N(C)Cc3ccccc3)\c4cccnc4 - - - - inhibitor 5459585 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccc(OC)c(O)c3)\c4cccnc4 - - - - inhibitor 5459586 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccc(cc3)S(=O)(=O)C)\c4cccnc4 - - - - inhibitor 5459587 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)\c5cccnc5 - - - - inhibitor 5459588 COCCNC(=O)[C@H](C)\C=C(\C(NC(=O)OCc1ccccc1)c2ccc(cc2)C(=O)OC)/c3cccnc3 - - - - inhibitor 5459590 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCC3CC3)\c4cccnc4 - - - - inhibitor 5459591 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)Nc3ccccc3)\c4cccnc4 - - - - inhibitor 5459593 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3nc4ccccc4n3C)\c5cccnc5 - - - - inhibitor 5459594 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3oc(C)cc3)\c4cccnc4 - - - - inhibitor 5459595 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccncc3)\c4cccnc4 - - - - inhibitor 5459596 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccccc3)\c4cccnc4 - - - - inhibitor 5459597 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccc(OC)c(OC)c3)\c4cccnc4 - - - - inhibitor 5459598 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cc(F)cc(F)c3)\c4cccnc4 - - - - inhibitor 5459599 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cc(C)on3)\c4cccnc4 - - - - inhibitor 5459600 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3ccc(cc3)c4ccccc4)\c5cccnc5 - - - - inhibitor 5459601 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NC3CCCCC3)\c4cccnc4 - - - - inhibitor 5459602 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)Nc3ccc(OC)cc3)\c4cccnc4 - - - - inhibitor 5459603 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCCF)\c3cccnc3 - - - - inhibitor 5459604 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N(C)Cc3cccnc3)\c4cccnc4 - - - - inhibitor 5459605 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3nc4ccccc4s3)\c5cccnc5 - - - - inhibitor 5459606 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)NCc3cccnc3)\c4cccnc4 - - - - inhibitor 5459607 COC(=O)c1ccc(cc1)C(NC(=O)OCc2ccccc2)\C(=C\[C@@H](C)C(=O)N[C@@H](CO)Cc3ccccc3)\c4cccnc4 - - - - inhibitor 5459609 CCCCCCN(C(C(=O)NCCCC)c1ccc(O)cc1)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)c5ccccc5 - - - - inhibitor 5459612 CCCCCCN(C(C)C(=O)NCCCC)C(=O)CCCCCN1C(=O)NC(C(=C1C)C(=O)OCc2ccccc2)c3ccc(cc3)c4ccccc4 - - - - inhibitor 5459614 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccccc2c3ccccc3)C(=O)OCc4ccccc4 - - - - inhibitor 5459617 CCCCNC(=O)C(N(CCN1CCOCC1)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)c6ccccc6 - - - - inhibitor 5459618 CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2CCCCC2)C(=O)OCc3ccccc3 - - - - inhibitor 5459626 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=C(C(NC2=O)c3ccc(cc3)C(F)(F)F)C(=O)OCc4ccccc4)C - - - - inhibitor 5459627 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=C(C(NC2=O)c3ccc(cc3)C(C)(C)C)C(=O)OCc4ccccc4)C - - - - inhibitor 5459628 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4cccc(c4)[N+](=O)[O-] - - - - inhibitor 5459630 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(Cl)cc4 - - - - inhibitor 5459631 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)[N+](=O)[O-] - - - - inhibitor 5459632 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc5ccccc5c4 - - - - inhibitor 5459633 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccccc4c5ccccc5 - - - - inhibitor 5459634 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=C(C(NC2=O)C3CCCCC3)C(=O)OCc4ccccc4)C - - - - inhibitor 5459635 CCCCNC(=O)C(N(Cc1ccccc1)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)c5ccccc5)c6ccc(OCC(=O)OC)c(c6)C(=O)OC - - - - inhibitor 5459636 CCCCNC(=O)C(N(CCc1ccccc1)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)c5ccccc5)c6ccc(OCC(=O)OC)c(c6)C(=O)OC - - - - inhibitor 5459637 CCCCNC(=O)C(N(Cc1ccccn1)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)c5ccccc5)c6ccc(OCC(=O)OC)c(c6)C(=O)OC - - - - inhibitor 5459638 CCCCNC(=O)C(N(CCc1ccccn1)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)c5ccccc5)c6ccc(OCC(=O)OC)c(c6)C(=O)OC - - - - inhibitor 5459640 CCCCCCN(C(C(=O)NCCCC)c1ccc(O)c(c1)C(=O)OC)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)c5ccccc5 - - - - inhibitor 5459641 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)cc1)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)c5ccccc5 - - - - inhibitor 5459643 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=O)NC(C3CC3)C(=C2C)C(=O)OCc4ccccc4 - - - - inhibitor 5459649 CC(C)CC1(C=CCN1C(=O)C)C(=O)NCc2cc(F)cc(c2)C(F)(F)F - - - - inhibitor 5459654 CC(C)CC1(C=CCN1C(=O)C)C(=O)NCCc2c[nH]c3ccccc23 - - - - inhibitor 5459661 CC(C)CC1(C=CCN1C(=O)c2ccccc2)C(=O)NCCN3CCOCC3 - - - - inhibitor 5459663 CC(C)CC1(C=CCN1C(=O)c2ccccc2)C(=O)NCC3CC3 - - - - inhibitor 5459665 CC(C)CC1(C=CCN1C(=O)c2ccccc2)C(=O)NCCc3c[nH]c4ccccc34 - - - - inhibitor 5459666 CC(C)CC1(C=CCN1C(=O)c2ccccc2)C(=O)NCc3oc(C)cc3 - - - - inhibitor 5459670 CC(=O)N1CC=CC1(C)C(=O)NCc2cc(F)cc(c2)C(F)(F)F - - - - inhibitor 5459676 CC(=O)N1C2(CCCCC2)C=CC1(C)C(=O)NCc3cc(F)cc(c3)C(F)(F)F - - - - inhibitor 5459677 COC(=O)N1CC=CC1(C)C(=O)NCc2cc(F)cc(c2)C(F)(F)F - - - - inhibitor 5459692 COC(=O)CNC(=O)C1(C)C=CCN1C(=O)c2ccccc2 - - - - inhibitor 5459693 CN(C)c1ccc(CNC(=O)C2(C)C=CCN2C(=O)c3ccccc3)cc1 - - - - inhibitor 5459697 CC1(C=CCN1C(=O)c2ccccc2)C(=O)NCCc3c[nH]c4ccccc34 - - - - inhibitor 5459699 COCCNC(=O)[C@@]1(C)C=C[C@@H](Cc2ccccc2)N1C(=O)c3ccccc3 - - - - inhibitor 5459700 C[C@@]1(C=C[C@@H](Cc2ccccc2)N1C(=O)c3ccccc3)C(=O)NCc4cc(F)cc(c4)C(F)(F)F - - - - inhibitor 5459701 C[C@@]1(C=C[C@@H](Cc2ccccc2)N1C(=O)c3ccccc3)C(=O)NCCN4CCOCC4 - - - - inhibitor 5459702 C[C@@]1(C=C[C@@H](Cc2ccccc2)N1C(=O)c3ccccc3)C(=O)NCC4CC4 - - - - inhibitor 5459703 C[C@@]1(C=C[C@@H](Cc2ccccc2)N1C(=O)c3ccccc3)C(=O)NCCc4c[nH]c5ccccc45 - - - - inhibitor 5459704 C[C@@]1(C=C[C@@H](Cc2ccccc2)N1C(=O)c3ccccc3)C(=O)NCCCNc4ncc(cc4Cl)C(F)(F)F - - - - inhibitor 5459705 CC(=O)N1C2(CCCCC2)C=CC1(C)C(=O)NCCN3CCOCC3 - - - - inhibitor 5459706 CC(=O)N1C2(CCCCC2)C=CC1(C)C(=O)NCc3ccccn3 - - - - inhibitor 5459710 CC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc3cc(F)cc(c3)C(F)(F)F - - - - inhibitor 5459711 CC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCCN3CCOCC3 - - - - inhibitor 5459715 CC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc3oc(C)cc3 - - - - inhibitor 5459722 COCCNC(=O)C1(C)C=CC2(CCCCC2)N1C(=O)c3ccccc3 - - - - inhibitor 5459723 CC1(C=CC2(CCCCC2)N1C(=O)c3ccccc3)C(=O)NCc4cc(F)cc(c4)C(F)(F)F - - - - inhibitor 5459724 CC1(C=CC2(CCCCC2)N1C(=O)c3ccccc3)C(=O)NCCN4CCOCC4 - - - - inhibitor 5459725 CC1(C=CC2(CCCCC2)N1C(=O)c3ccccc3)C(=O)NCC4CC4 - - - - inhibitor 5459727 CC1(C=CC2(CCCCC2)N1C(=O)c3ccccc3)C(=O)NCCCNc4ncc(cc4Cl)C(F)(F)F - - - - inhibitor 5459728 COC(=O)[C@@]1(C)C=C[C@@H](Cc2ccccc2)N1C - - - - inhibitor 5459731 C[C@@H]1C=C[C@@](Cc2ccccc2)(N1C(=O)c3ccccc3)C(=O)NCCN4CCOCC4 - - - - inhibitor 5459732 C[C@@H]1C=C[C@@](Cc2ccccc2)(N1C(=O)c3ccccc3)C(=O)NCC4CC4 - - - - inhibitor 5459733 C[C@@H]1C=C[C@@](Cc2ccccc2)(N1C(=O)c3ccccc3)C(=O)NCCc4c[nH]c5ccccc45 - - - - inhibitor 5459736 C[C@@H]1C=C[C@@](Cc2ccccc2)(N1C(=O)C)C(=O)NCc3cc(F)cc(c3)C(F)(F)F - - - - inhibitor 5459737 C[C@@H]1C=C[C@@](Cc2ccccc2)(N1C(=O)C)C(=O)NCCN3CCOCC3 - - - - inhibitor 5459741 C[C@@H]1C=C[C@@](Cc2ccccc2)(N1C(=O)C)C(=O)NCc3oc(C)cc3 - - - - inhibitor 5459743 COC(=O)CNC(=O)[C@@]1(C)C=C[C@@H](Cc2ccccc2)N1C(=O)OC - - - - inhibitor 5459744 COC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc3ccc(cc3)N(C)C - - - - inhibitor 5459745 COC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc3ccccn3 - - - - inhibitor 5459751 CNC(=O)[C@@]1(Cc2ccccc2)C=C[C@@H](C)N1C(=O)OC - - - - inhibitor 5459753 COC(=O)N1[C@H](C)C=C[C@]1(Cc2ccccc2)C(=O)NCCCNc3ncc(cc3Cl)C(F)(F)F - - - - inhibitor 5461299 CCCC\C=C\[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3OC - - - - inhibitor 5461300 CCCC[C@@H]1C[C@H]1[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4OC - - - - inhibitor 5461301 C[C@]1(C[C@H]1C=C)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 - - - - inhibitor 5461303 COC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccc(Br)cc2)c3ccccc3 - - - - inhibitor 5461306 CN(C)C(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@]3(C)C[C@H]3[C@H](NC(=O)OCc4ccccc4)c5ccccc5)c6ccccc6 - - - - inhibitor 5461309 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(cc4)C(=O)OC - - - - inhibitor 5461310 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c2ccccc2)c3ccc(cc3)C(=O)OC - - - - inhibitor 5461312 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)Oc2ccccc2)c3ccc(cc3)C(=O)OC - - - - inhibitor 5461313 CN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 - - - - inhibitor 5461315 CNC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 - - - - inhibitor 5461318 COC(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)c2ccc(Br)cc2)c3ccccc3 - - - - inhibitor 5461319 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]2(C)C[C@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4 - - - - inhibitor 5461321 C[C@]1(C[C@H]1CCO)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 - - - - inhibitor 5461322 CC(C)(C)[Si](OCC[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4)(c5ccccc5)c6ccccc6 - - - - inhibitor 5461323 COC(=O)[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccccc4 - - - - inhibitor 5461330 CNC(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)[C@]2(C)C[C@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4)c5ccccc5 - - - - inhibitor 5461331 CN(C)C(=C)[C@]1(C)C[C@H]1[C@H](NC(=O)CNC(=O)OCc2ccccc2)c3ccccc3 - - - - inhibitor 5461332 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]2(C)C[C@@H]2[C@@H](NC(=O)OCc3ccccc3)c4ccccc4 - - - - inhibitor 5461333 COC(=O)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 - - - - inhibitor 5461334 CN(C)C(=O)[C@H]1C[C@@H]1[C@H](NC(=O)OCc2ccccc2)c3ccccc3 - - - - inhibitor 5461335 COC(=O)[C@@H]1CCCN1C(=O)[C@H]2C[C@@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4 - - - - inhibitor 5461338 CCCC\C(=C\[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)\C - - - - inhibitor 5461339 C\C(=C/[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)\CO[Si](c4ccccc4)(c5ccccc5)C(C)(C)C - - - - inhibitor 5461351 CC(C)NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 - - - - inhibitor 5461352 CC(C)NC(=O)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 - - - - inhibitor 5461354 C[C@H](NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)c4ccccc4 - - - - inhibitor 5461357 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]2C[C@@H]2[C@H](NC(=O)OCc3ccccc3)c4ccccc4 - - - - inhibitor 5461522 ClC1=C(NC2CCc3ccccc23)C(=O)c4ncccc4C1=O - - - - inhibitor 5461523 CC1(C)OCC(CSC2=C(SCC3COC(C)(C)O3)C(=O)c4ncccc4C2=O)O1 - - - - inhibitor 5461618 CC1=C(C(NC(=O)N1CCCCCC(=O)O)c2ccccc2)C(=O)OCc3ccccc3 inhibitor - - - non-inhibitor 5461698 CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN2C(=O)NC(C(=C2C)C(=O)OCc3ccccc3)c4ccc(cc4)C5CCCCC5 - - - - inhibitor 5461724 CC(C)(C)NC(=O)C(N(CCN1CCOCC1)C(=O)CCCNC(=O)c2ccccc2)c3ccc(I)cc3 - - - - inhibitor 5701997 CN1CC(CNC(=O)OCc2ccccc2)C[C@@H]3C1Cc4cn(C)c5cccc3c45 - - - - inhibitor 5711223 COc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1 - - - - inhibitor 5761068 Oc1ccc(\C=C\C(=O)c2cccs2)cc1 - - - - inhibitor 5761071 O=C(\C=C\c1ccc2OCOc2c1)c3cccs3 - - - - inhibitor 5771787 CCCC\C=C\C(NC(=O)C(C)(C)C)c1ccccc1 inhibitor - - - inhibitor 5771795 CCCC\C=C\C(NC(=O)OCC#C)c1ccccc1 inhibitor - - - inhibitor 5771856 CCC\C=C(/CCC)\C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3 inhibitor - - - inhibitor 5810067 CC(=CCc1c(O)cc2OC=C(C(=O)c2c1O)c3ccc4OCOc4c3)C - - - - inhibitor 5946498 COc1ccc2C(=O)\C(=C\c3ccc(OC)c(O)c3)\COc2c1 - - - - inhibitor 5953849 COc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1OC - - - - inhibitor 5955473 COc1cc(O)c(C(=O)\C=C\c2ccc(O)c(OC)c2)c(OC)c1 - - - - inhibitor 5962587 CC(=O)Oc1ccc(\C=C\c2cc(OC(=O)C)cc(OC(=O)C)c2)cc1 - - - - inhibitor 5983661 CC1(C)Oc2cc3OC=C(C(=O)c3c(O)c2C=C1)c4ccc5OCOc5c4 - - - - inhibitor 6150640 COc1cc2OCC3=C(C(=O)c4c(O)cc(O)cc4O3)c2cc1OC - - - - inhibitor 6184667 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c2ccc(cc2)C(=O)O - - - - inhibitor 6371716 CCOC(=O)CCCCCCC\C=C\C\C=C\C\C=C\CC - - - - inhibitor 6436135 CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C3CCC3)c1)C(=O)O - - - - inhibitor 6439929 C\C=C/1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C - - - - inhibitor 6560199 C\C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 - - - - inhibitor 6603772 ClC(Cl)[C@@H](c1ccc(Cl)cc1)c2ccccc2Cl - inhibitor - non-inhibitor - 6604045 C[C@]12Cc3cn4c(nc3C=C1CC[C@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#N)nc7ccccc47 inhibitor - - - non-inhibitor 6604368 CCCC[C@H](CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NC[C@@H](CC)CCCC)N)N - - - inhibitor non-inhibitor 6604613 C[C@](O)(CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C)C=C - inhibitor - non-inhibitor - 6604614 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 inhibitor - non-inhibitor - - 6604633 C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@H](C2)OC(=O)C3=C inhibitor inhibitor - - - 6604677 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@H]7CCCN7C1=O)C(C)C inhibitor - - non-inhibitor - 6604681 COc1cc2CCN(C)[C@@H]3Cc4cc(OC)c(OC)cc4c(c1O)c23 - - non-inhibitor inhibitor - 6605025 CC(C)C[C@@H](CC(=O)N[C@@H](CCCN)CC(=O)N[C@@H]1CCNC[C@H]1C(=O)N[C@@H](CC(C)C)CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)[C@@H]2CCCC[C@H]2N - inhibitor - non-inhibitor - 6605057 CCCn1c(nc2c(NCCCN3CCOCC3)nc(C)nc12)c4ccc(F)cc4 - - - - inhibitor 6605061 CCCn1c(nc2c(NC(C)CCCN(CC)CC)nc(C)nc12)c3ccc(F)cc3 - - - - inhibitor 6605064 CCCn1c(nc2c(NCCN3CCOCC3)nc(C)nc12)c4ccc(F)cc4 - - - - inhibitor 6605067 CCCn1c(nc2c(NCC(C)(C)CN(C)C)nc(C)nc12)c3ccc(F)cc3 - - - - inhibitor 6605068 CCCn1c(nc2c(NCCCN3CCCCC3C)nc(C)nc12)c4ccc(F)cc4 - - - - inhibitor 6605069 CCCn1c(nc2c(NCCN3CCSCC3)nc(C)nc12)c4ccc(F)cc4 - - - - inhibitor 6605070 CCCn1c(nc2c(NCCCCN(CC)CC)nc(C)nc12)c3ccc(F)cc3 - - - - inhibitor 6605072 CCCn1c(nc2c(NC3CCN(Cc4ccccc4)C3)nc(C)nc12)c5ccc(F)cc5 - - - - inhibitor 6605075 CCCn1c(nc2c(NCCCCN3CCCC3)nc(C)nc12)c4ccc(F)cc4 - - - - inhibitor 6605081 CCCn1c(nc2c(nc(C)nc12)N3CCCN(Cc4ccccc4)CC3)c5ccc(F)cc5 - - - - inhibitor 6605082 CCCn1c(nc2c(nc(C)nc12)N3CCN(Cc4nc(OC)cc(OC)n4)CC3)c5ccc(F)cc5 - - - - inhibitor 6605084 CCCn1c(nc2c(nc(C)nc12)N3CCN(CCn4ccnc4)CC3)c5ccc(F)cc5 - - - - inhibitor 6605085 CCCn1c(nc2c(nc(C)nc12)N3CCN(CCC(=O)OCC)CC3)c4ccc(F)cc4 - - - - inhibitor 6605087 CN(C)CCCn1c(nc2c(NCc3ccccc3)nc(C)nc12)c4ccccc4 - - - - inhibitor 6605092 Cc1nc(NCc2ccccc2)c3nc(c4ccccc4)n(CCCN5CCOCC5)c3n1 - - - - inhibitor 6605094 Cc1nc(N2CCOCC2)c3nc(c4ccccc4)n(CCCN5CCOCC5)c3n1 - - - - inhibitor 6605095 CCCCNc1nc(C)nc2c1nc(c3ccccc3)n2C(C)CCCN(CC)CC - - - - inhibitor 6605096 CCN(CC)CCCC(C)n1c(nc2c(NCc3ccccc3)nc(C)nc12)c4ccccc4 - - - - inhibitor 6605097 CCN(CC)CCCC(C)n1c(nc2c(NC3CCCCC3)nc(C)nc12)c4ccccc4 - - - - inhibitor 6605101 CCN(CC)CCCC(C)n1c(nc2c(nc(C)nc12)N(CCOC)CCOC)c3ccccc3 - - - - inhibitor 6605109 CCCCNc1nc(C)nc2c1nc(c3ccccc3)n2CCN4CCCCC4 - - - - inhibitor 6605110 Cc1nc(NCc2ccccc2)c3nc(c4ccccc4)n(CCN5CCCCC5)c3n1 - - - - inhibitor 6605111 Cc1nc(NC2CCCCC2)c3nc(c4ccccc4)n(CCN5CCCCC5)c3n1 - - - - inhibitor 6605112 COCCNc1nc(C)nc2c1nc(c3ccccc3)n2CCN4CCCCC4 - - - - inhibitor 6605113 Cc1nc(N2CCOCC2)c3nc(c4ccccc4)n(CCN5CCCCC5)c3n1 - - - - inhibitor 6605114 Cc1nc(NCc2ccccc2)c3nc(c4ccccc4)n(CCN5CCOCC5)c3n1 - - - - inhibitor 6605115 Cc1nc(Nc2ccccc2)c3nc(c4ccccc4)n(CCN5CCOCC5)c3n1 - - - - inhibitor 6605117 COCCN(CCOC)c1nc(C)nc2c1nc(c3ccccc3)n2CCN4CCOCC4 - - - - inhibitor 6605118 CCCCNc1nc(C)nc2c1nc(c3ccccc3)n2CCN4CCCC4 - - - - inhibitor 6605119 Cc1nc(NCc2ccccc2)c3nc(c4ccccc4)n(CCN5CCCC5)c3n1 - - - - inhibitor 6605124 CCCCNc1nc(C)nc2c1nc(c3ccccc3)n2CC(C)(C)CN(C)C - - - - inhibitor 6605125 CN(C)CC(C)(C)Cn1c(nc2c(NCc3ccccc3)nc(C)nc12)c4ccccc4 - - - - inhibitor 6605127 CCCCNc1nc(C)nc2c1nc(c3ccccc3)n2CCCN4CCCCC4C - - - - inhibitor 6605128 CC1CCCCN1CCCn2c(nc3c(NCc4ccccc4)nc(C)nc23)c5ccccc5 - - - - inhibitor 6605130 CC1CCCCN1CCCn2c(nc3c(NC4CCCCC4)nc(C)nc23)c5ccccc5 - - - - inhibitor 6605133 COCCN(CCOC)c1nc(C)nc2c1nc(c3ccccc3)n2CCCN4CCCCC4C - - - - inhibitor 6605135 CCN(CC)CCCCn1c(nc2c(NCc3ccccc3)nc(C)nc12)c4ccccc4 - - - - inhibitor 6605140 CCN(CC)CCCCn1c(nc2c(nc(C)nc12)N(CCOC)CCOC)c3ccccc3 - - - - inhibitor 6605141 CCCCNc1nc(C)nc2c1nc(c3ccccc3)n2C4CCN(Cc5ccccc5)C4 - - - - inhibitor 6605142 Cc1nc(NCc2ccccc2)c3nc(c4ccccc4)n(C5CCN(Cc6ccccc6)C5)c3n1 - - - - inhibitor 6605143 COCCNc1nc(C)nc2c1nc(c3ccccc3)n2C4CCN(Cc5ccccc5)C4 - - - - inhibitor 6605144 CC(CN(C)C)n1c(nc2c(NCc3ccccc3)nc(C)nc12)c4ccccc4 - - - - inhibitor 6605145 CC(CN(C)C)n1c(nc2c(NC3CCCCC3)nc(C)nc12)c4ccccc4 - - - - inhibitor 6605154 CCCCNc1nc(C)nc2c1nc(c3ccccc3)n2CC4CCCN4CC - - - - inhibitor 6605155 CCN1CCCC1Cn2c(nc3c(NCc4ccccc4)nc(C)nc23)c5ccccc5 - - - - inhibitor 6605156 CCN1CCCC1Cn2c(nc3c(NC4CCCCC4)nc(C)nc23)c5ccccc5 - - - - inhibitor 6605157 CCN1CCCC1Cn2c(nc3c(NCCOC)nc(C)nc23)c4ccccc4 - - - - inhibitor 6605159 CCN1CCCC1Cn2c(nc3c(nc(C)nc23)N(CCOC)CCOC)c4ccccc4 - - - - inhibitor 6605160 CCN(CC)CCn1c(nc2c(NCc3ccccc3)nc(C)nc12)c4ccccc4 - - - - inhibitor 6605178 CCCn1c(C)nc2c(NCCN3CCCC3)nc(C)nc12 - - - - inhibitor 6605197 CCCn1c(C)nc2c(nc(C)nc12)N3CCCN(Cc4ccccc4)CC3 - - - - inhibitor 6612602 Cc1ccc2OC(=O)c3c(oc4cc(O)c(O)cc34)c2c1 - - - - inhibitor 6618581 Cc1ccc(cc1)C(=O)[C@@H]2[C@H]3C4COC(O4)C(=O)[C@@H]3[C@H]5C=Cc6ccccc6N25 - - - - inhibitor 6708578 C[C@]12CCC(=O)C=C1CCc3ccc(O)cc23 - - - - inhibitor 6708756 COc1cccc2C(=O)C=C(Oc12)c3ccccc3OC - - - - inhibitor 6710684 CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc2cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c2 - - - - inhibitor 6710704 COc1cc(OC)c2C(=O)C(=COc2c1)c3ccccc3 - - - - inhibitor 6710737 COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC(=O)c3cc(ccc23)C(C)C - - - - inhibitor 6732845 COc1ccc2CCC3[C@@](C)(CO)CCC[C@]3(C)c2c1 - - - - inhibitor 6852403 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C7CCCN7C1=O)C(C)C - - - - inhibitor 6857761 COc1ccc2C(=O)\C(=C/c3ccc(O)c(O)c3)\COc2c1 - - - - inhibitor 6857785 COC(=O)\C(=C/CC12OC(C)(C)C3CC(C=C4C(=O)c5c(OC)c6C=CC(C)(CCC=C(C)C)Oc6c(CC=C(C)C)c5OC134)C2=O)\C - - - - inhibitor 6857790 COc1c2C=CC(C)(C)Oc2ccc1C3=COc4cc5OC(C)(C)C(Cc5cc4C3=O)OC(=O)C - - - - inhibitor 6857791 COc1ccc2C(=O)\C(=C/c3ccc(OC)c(OC)c3)\COc2c1 - - - - inhibitor 6857793 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(O)c2C=C1)C(O)C5(C\C=C(\C)/C(=O)O)OC6(C)C)C - - - - inhibitor 6878030 Cc1nn(c(C)c1\C=N\N2CCN(Cc3ccccc3)CC2)c4ccccc4 - - - - inhibitor 6918184 CC(=O)N(OCc1ccccc1)[C@H]2[C@H](O)C(C)(C)Oc3ccc(cc23)C#N - - - - inhibitor 6992288 COc1cc2CCN(C)[C@H]3Cc4cc(OC)c(OC)cc4c(c1O)c23 - - - - inhibitor 7251175 CC(=CCC\C(=C/COc1c2C=CC(=O)Oc2cc3occc13)\C)C - - - - inhibitor 7564970 CC(=O)[C@H]1[C@@H]2[C@H]3CO[C@H](O3)C(=O)[C@@H]2[C@H]4N1C=Cc5ccccc45 inhibitor - - non-inhibitor - 7566702 COc1cc2c(C(=O)c3ccccc3)c4N(C)CCc5cc(OC)c(OC)c(c2cc1OC)c45 - - - - inhibitor 7971951 COc1ccc(cc1)C(=O)C(OC(=O)CNC(=O)c2occc2)c3ccccc3 - inhibitor - - - 7973139 COc1ccccc1NC(=O)C(C\C=C(/C)\Cl)C(=O)C - inhibitor non-inhibitor - - 7973436 O=C(CC1c2ccccc2Oc3ccccc13)N4CCN(CC4)c5ccccn5 - inhibitor inhibitor - - 7973621 Cc1oc(cc1)C2N(CCN3CCOCC3)C(=O)C(=C2C(=O)c4ccccc4)O non-inhibitor - inhibitor - - 7973909 COc1ccc(cc1)C(=O)Nc2cc(OC)cc(OC)c2 - inhibitor - inhibitor - 7974048 Brc1oc(cc1)C(=O)Nc2nc(cs2)c3ccccc3 inhibitor - - non-inhibitor - 7974448 COC(=O)CSc1nnc2N(C3CCCCC3)C(=O)c4c5CCCCc5sc4n12 - inhibitor - non-inhibitor - 7974664 CN(C)\C=N\c1ccc2nn(nc2c1)c3ccccc3 inhibitor - - - non-inhibitor 7975458 CCN(CC)C(=O)C1=Cc2cccc(CC=C)c2OC1=O inhibitor - - non-inhibitor - 7975494 CCOc1cccc(OCCCNCCCOC)c1 inhibitor - non-inhibitor - - 7975616 CCCC(=O)Nc1nnc(Cc2ccccc2)s1 - - inhibitor non-inhibitor - 7977295 CC(C)c1cc(Nc2cccc(O)c2)cc(C(C)C)c1O - inhibitor inhibitor - - 7977747 Brc1cncc(c1)C(=O)Nc2ccc(cc2)N3CCCCC3 inhibitor - - - inhibitor 9547731 CN1C(=O)N(Cc2ccccc2)C(=C(C(=O)COC(=O)c3cc(nc4ccccc34)c5occc5)C1=O)N - - - - inhibitor 9547735 CN1C(=C(C(=O)COC(=O)c2cc(nc3ccccc23)c4occc4)C(=O)N(Cc5ccccc5)C1=O)N - - - - inhibitor 9547740 CN1C(=O)N(CC2CC2)C(=C(C(=O)COC(=O)c3cc(nc4ccccc34)c5occc5)C1=O)N - - - - inhibitor 9547741 CN1C(=O)N(CC2CC2)C(=C(C(=O)COC(=O)c3cc(nc4c(cccc34)C(F)(F)F)C(F)(F)F)C1=O)N - - - - inhibitor 9549284 N\C(=C(\C#N)/c1ccccc1C(F)(F)F)\Sc2ccc(N)cc2 - - - - inhibitor 9806489 CCCCCS(=O)(=O)CCCCCCCCCCn1c(c(C)c2cc(O)ccc12)c3ccc(O)cc3 - - - - inhibitor 9810101 CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)\C=C\CC(C)(C)N - - - - inhibitor 9811493 NC(=NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C3c4ccccc4NC(=O)c5ccccc35)CCCC1)C(=O)NCCN6C(=O)N(N(C6=O)c7ccccc7)c8ccccc8)N - - - - inhibitor 9820766 CC(C)c1ccccc1S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-] - - - - inhibitor 9829836 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2 - - - - inhibitor 9887884 Fc1cc(CC2(Cc3ccnc(F)c3)c4ccccc4C(=O)c5ccccc25)ccn1 - - - - inhibitor 9911463 COc1ccc2c(c1)c(CCN3CCOCC3)c(C)n2C(=O)c4cccc(Cl)c4Cl - - - - inhibitor 9934458 Cc1cc(SCc2sc(nc2C)c3ccc(c(F)c3)C(F)(F)F)ccc1OCC(=O)O - - - - inhibitor 9954280 OC(=O)c1c(Sc2ccccc2)c3cc(Cl)ccc3n1Cc4ccc(Cl)cc4 - - - - inhibitor 10222761 CCOC(=O)C1CSC(Cc2ccc(OCc3ccc(cc3)[N+](=O)[O-])cc2)N1 - - - - inhibitor 11110776 C[C@]12CC[C@H]3[C@@H](CCC4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O - - - non-inhibitor inhibitor 11110899 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4ccc(I)cc4)nc(Cl)nc23 non-inhibitor - - - inhibitor 11110952 Cl.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1 inhibitor - - - - 11110992 Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O inhibitor - - - non-inhibitor 11111002 CN1CCCC1CCOC(C)(c2ccccc2)c3ccc(Cl)cc3.OC(=O)\C=C\C(=O)O - inhibitor - - - 11111013 Cl.COc1ccc2C[C@H]3N(C)CCc4cccc(c34)c2c1O - inhibitor - - - 11111027 [I-].C[N+]1(C)CCC(CC1)OC(=O)C(c2ccccc2)c3ccccc3 inhibitor - - - - 11111076 COC1=C(OC)C(=O)c2ccccc2C1=O inhibitor - - - inhibitor 11111102 CN(N=O)c1cc(O)ccc1O - - inhibitor - non-inhibitor 11111137 Cl.CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C inhibitor - - - - 11111749 CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 - non-inhibitor inhibitor - - 11111829 CCc1ccccc1OC[C@@H](O)CN[C@H]2CCc3ccccc3C2.OC(=O)C(=O)O - inhibitor - - - 11111895 Oc1ccc(cc1O)C(=O)\C(=C\c2c[nH]c3ccccc23)\C#N inhibitor - - - inhibitor 11111929 CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C - - - - inhibitor 11111946 N\C(=C(/C#N)\C(=C(\N)/Sc1ccccc1N)\C#N)\Sc2ccccc2N - - - - inhibitor 11111962 C[C@]12Cc3cn4c(nc3C=C1CCC5[C@@H]6CC[C@@](O)(C#N)[C@@]6(C)CCC25)nc7ccccc47 - inhibitor inhibitor - - 11111983 Cl.CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc3ccccc3 inhibitor - - - - 11112130 Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 - - - inhibitor non-inhibitor 11112496 Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3 - - - inhibitor non-inhibitor 11112676 CCCC[C@H](CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC[C@@H](CC)CCCC - - - inhibitor non-inhibitor 11113012 CN1CCCN=C1\C=C/c2sccc2C.O[C@H]([C@H](O)C(=O)O)C(=O)O inhibitor - - - - 11113019 CN1CCCN=C1\C=C/c2cccs2.O[C@H]([C@H](O)C(=O)O)C(=O)O inhibitor - - - - 11113533 NC(=S)\C(=C\c1ccc(O)c(O)c1)\C#N inhibitor - - - - 11113545 CCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1 inhibitor - inhibitor - - 11113684 Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 - - - - inhibitor 11113722 CN\C(=N\C#N)\NCCSCc1csc(N=C(N)N)n1 - non-inhibitor - inhibitor - 11113904 COc1cc2CC(=O)NN=C(c3ccc(N)cc3)c2cc1OC - - - non-inhibitor inhibitor 11113911 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C - - - non-inhibitor inhibitor 11113983 CC(=O)C1=C(O)[C@@H]2[C@H]3[C@H](Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O - - - - inhibitor 11114038 CCCCN1CCC[C@@H]1CNC(=O)c2cc(C#N)c3ccccc3c2OC - non-inhibitor - - inhibitor 11114118 CC#CCOC(=O)c1c(C)nc2sc3CC(O)CCc3c2c1N inhibitor - - - inhibitor 11114225 O\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14 inhibitor - - - inhibitor 11114282 CC1(C)C(=O)N=C2C1=C(O)C(=O)c3ccccc23 inhibitor - - inhibitor - 11313361 COC1CCC(CC1)C(=O)c2ccc3nc4OCCCc4cc3c2 - - - - inhibitor 11382492 Oc1ccc(NC(=O)CCCc2ccc(cc2)c3ccccc3F)cc1 - - - - inhibitor 11869417 C1Oc2ccc(cc2O1)[C@@H]3OC[C@@H]4[C@H]3CO[C@@H]4c5ccc6OCOc6c5 - - - - inhibitor 11948935 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCc5ccccc5)C(=O)NC3=O - - - - inhibitor 11948936 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C)N(C(=O)OC4=NCc5ccccc5)C1=O)C(=O)N(C)C3=O - - - - inhibitor 11948937 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCc5ccccc5)C(=O)N(CC)C3=O - - - - inhibitor 11948938 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCc5ccccc5)C(=O)N(C3=O)c6ccccc6 - - - - inhibitor 11948939 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C)N(C(=O)OC4=NCc5ccccc5)C1=O)C(=O)N(C3=O)c6ccccc6 - - - - inhibitor 11948940 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCc5ccccc5)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948941 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC(=O)OC)C(=O)NC3=O - - - - inhibitor 11948943 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC(=O)OC)C(=O)N(C)C3=O - - - - inhibitor 11948945 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC(=O)OC)C(=O)N(CC)C3=O - - - - inhibitor 11948947 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C)N(C(=O)OC4=NCC(=O)OC)C1=O)C(=O)N(C3=O)c5ccccc5 - - - - inhibitor 11948948 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC(=O)OC)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948950 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCCc5c[nH]c6ccccc56)C(=O)NC3=O - - - - inhibitor 11948951 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C)N(C(=O)OC4=NCCc5c[nH]c6ccccc56)C1=O)C(=O)NC3=O - - - - inhibitor 11948952 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCCc5c[nH]c6ccccc56)C(=O)N(C)C3=O - - - - inhibitor 11948953 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCCc5c[nH]c6ccccc56)C(=O)N(CC)C3=O - - - - inhibitor 11948954 CCN1C(=O)[C@@H]2CCC3=C(CC)C(=O)N4C(=O)OC(=NCCc5c[nH]c6ccccc56)[C@]4(C)[C@@H]3[C@@H]2C1=O - - - - inhibitor 11948955 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCCc5c[nH]c6ccccc56)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948956 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C)N(C(=O)OC4=NCCc5c[nH]c6ccccc56)C1=O)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948957 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C)N(C(=O)N(Cc5ccccc5)C4=O)C1=O)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948960 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCc6ccccc6)C1=O)C(=O)N(C3=O)c7ccccc7 - - - - inhibitor 11948962 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCc6c[nH]c7ccccc67)C(=O)N(C3=O)c8ccccc8 - - - - inhibitor 11948964 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCCc6c[nH]c7ccccc67)C1=O)C(=O)N(C3=O)c8ccccc8 - - - - inhibitor 11948965 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCc6c[nH]c7ccccc67)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948966 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCCc6c[nH]c7ccccc67)C1=O)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948967 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCc6c[nH]c7ccccc67)C(=O)N(CC)C3=O - - - - inhibitor 11948968 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCc6c[nH]c7ccccc67)C(=O)N(C)C3=O - - - - inhibitor 11948969 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCCc6c[nH]c7ccccc67)C1=O)C(=O)N(C)C3=O - - - - inhibitor 11948970 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCc6c[nH]c7ccccc67)C(=O)NC3=O - - - - inhibitor 11948971 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCCOC)C1=O)C(=O)N(C3=O)c6ccccc6 - - - - inhibitor 11948972 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCOC)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948974 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCCOC)C1=O)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948975 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCOC)C(=O)N(CC)C3=O - - - - inhibitor 11948976 CCN1C(=O)[C@@H]2CCC3=C(CC)C(=O)N4C(=O)OC(=NCCOC)[C@]4(Cc5ccccc5)[C@@H]3[C@@H]2C1=O - - - - inhibitor 11948977 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCOC)C(=O)N(C)C3=O - - - - inhibitor 11948978 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCCOC)C1=O)C(=O)N(C)C3=O - - - - inhibitor 11948979 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCCOC)C(=O)NC3=O - - - - inhibitor 11948980 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC(=O)OC)C(=O)N(C3=O)c6ccccc6 - - - - inhibitor 11948982 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC(=O)OC)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948983 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC(=O)OC)C(=O)N(C)C3=O - - - - inhibitor 11948984 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCC(=O)OC)C1=O)C(=O)N(C)C3=O - - - - inhibitor 11948985 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC(=O)OC)C(=O)NC3=O - - - - inhibitor 11948987 CCN1C(=O)[C@@H]2CCC3=C(CC)C(=O)N4C(=O)OC(=NCc5ccccc5)[C@]4(Cc6ccccc6)[C@@H]3[C@@H]2C1=O - - - - inhibitor 11948988 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCc6ccccc6)C1=O)C(=O)NC3=O - - - - inhibitor 11948989 CCN1C(=O)[C@@H]2CCC3=C(CC)C(=O)N4C(=O)N(CCOC)C(=O)[C@]4(Cc5ccccc5)[C@@H]3[C@@H]2C1=O - - - - inhibitor 11948990 CCN1C(=O)[C@@H]2CCC3=C(CC)C(=O)N4C(=O)N(Cc5ccccc5)C(=O)[C@]4(Cc6ccccc6)[C@@H]3[C@@H]2C1=O - - - - inhibitor 11948991 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)N(CC(=O)OC)C4=O)C1=O)C(=O)N(C3=O)c6ccccc6 - - - - inhibitor 11948992 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC5CC5)C(=O)NC3=O - - - - inhibitor 11948993 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC5CC5)C(=O)N(C)C3=O - - - - inhibitor 11948994 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC5CC5)C(=O)N(CC)C3=O - - - - inhibitor 11948995 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC5CC5)C(=O)N(C3=O)c6ccccc6 - - - - inhibitor 11948996 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCC5CC5)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11948997 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC6CC6)C(=O)NC3=O - - - - inhibitor 11948998 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC6CC6)C(=O)N(C)C3=O - - - - inhibitor 11948999 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC6CC6)C(=O)N(CC)C3=O - - - - inhibitor 11949000 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC6CC6)C(=O)N(C3=O)c7ccccc7 - - - - inhibitor 11949001 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N1C(=O)OC4=NCC6CC6)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11949004 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(C)N(C(=O)OC4=NCC5CC5)C1=O)C(=O)N(C3=O)c6ccccc6 - - - - inhibitor 11949005 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCC6CC6)C1=O)C(=O)NC3=O - - - - inhibitor 11949006 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCC6CC6)C1=O)C(=O)N(C)C3=O - - - - inhibitor 11949007 CCN1C(=O)[C@@H]2CCC3=C(CC)C(=O)N4C(=O)OC(=NCC5CC5)[C@]4(Cc6ccccc6)[C@@H]3[C@@H]2C1=O - - - - inhibitor 11949008 CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@]4(Cc5ccccc5)N(C(=O)OC4=NCC6CC6)C1=O)C(=O)N(C3=O)c7ccccc7 - - - - inhibitor 11949012 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCCOC)C(=O)N(CC)C3=O - - - - inhibitor 11949013 CCN(CC)C(=O)OC1=C(CC)C2=CC[C@@H]3[C@H]([C@H]2[C@]4(C)N1C(=O)OC4=NCCOC)C(=O)N(CC(=O)OC)C3=O - - - - inhibitor 11949016 CCN1C(=O)[C@@H]2CCC3=C(CC)C(=O)N4C(=O)N(CC5CC5)C(=O)[C@]4(Cc6ccccc6)[C@@H]3[C@@H]2C1=O - - - - inhibitor 11949095 CCN1C(=O)[C@@H]2CCC3=C(CC)C(=O)N4C(=O)N(CC(=O)OC)C(=O)[C@]4(C)[C@@H]3[C@@H]2C1=O - - - - inhibitor 11949100 COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc3ccc(Cl)cc3 - - - - inhibitor 11949102 COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc3ccc(cc3)C(C)(C)C - - - - inhibitor 11949104 COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc3c(F)cccc3Cl - - - - inhibitor 11949105 COC(=O)[C@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc3c(F)cccc3Cl - - - - inhibitor 11949106 COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc3ccccc3OC(=O)c4cccs4 - - - - inhibitor 11949107 COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc3ccccc3OS(=O)(=O)c4ccc(C)cc4 - - - - inhibitor 11949113 COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1CC3CCCCC3 - - - - inhibitor 11949114 COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc3ccc(OC)cc3 - - - - inhibitor 11949115 COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc3ccc(Cl)cc3 - - - - inhibitor 11949117 COC(=O)[C@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc3c(F)cccc3Cl - - - - inhibitor 11949119 COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc3ccccc3OS(=O)(=O)c4ccc(C)cc4 - - - - inhibitor 11949120 COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc3ccc(cc3)c4ccccc4 - - - - inhibitor 11949136 COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc3cc(OC)cc(OC)c3 - - - - inhibitor 11949137 COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1CC(c3ccccc3)c4ccccc4 - - - - inhibitor 11949138 COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc3ccc(cc3)C(C)(C)C - - - - inhibitor 11949152 COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc3ccccc3OS(=O)(=O)c4ccc(C)cc4 - - - - inhibitor 11949157 COc1c(O)c(O)cc2c3C(=O)Oc4ccc(C)cc4c3oc12 - - - - inhibitor 11949158 CC1(C)CC(=O)c2c(C1)oc3cc4OCOc4cc23 - - - - inhibitor 11949166 C(N1C[C@@H]2C(c3ccccc3)C4(CC2(C4)[C@H]1c5ccccc5)c6ccccc6)c7cccnc7 - - - - inhibitor 11949171 FC(F)(F)c1ccc(cc1)C2[C@H]3CN(Cc4cccnc4)[C@H](c5ccccc5)C36CC2(C6)c7ccccc7 - - - - inhibitor 11949172 CN1C[C@@H]2C(c3ccc(Cl)nc3)C4(CC2(C4)[C@H]1c5ccccc5)c6ccccc6 - - - - inhibitor 11949176 Clc1ccc(cn1)C2[C@H]3CN(Cc4cccnc4)[C@H](c5ccccc5)C36CC2(C6)c7ccccc7 - - - - inhibitor 11949178 COC(=O)c1ccc(cc1)C23CC4(C2)[C@H](CN(CC5CCCCC5)[C@@H]4c6ccccc6)C3c7ccccc7 - - - - inhibitor 11949181 COC(=O)c1ccc(cc1)C23CC4(C2)[C@H](CN(Cc5cccnc5)[C@@H]4c6ccccc6)C3c7ccccc7 - - - - inhibitor 11949186 COC(=O)c1ccc(cc1)C23CC4(C2)[C@H](CN(Cc5cccnc5)[C@@H]4c6ccccc6)C3c7ccc(cc7)C(F)(F)F - - - - inhibitor 11949188 COC(=O)c1ccc(cc1)C23CC4(C2)[C@H](CN(CC5CCCCC5)[C@@H]4c6ccccc6)C3c7ccc(Cl)nc7 - - - - inhibitor 11949191 COC(=O)c1ccc(cc1)C23CC4(C2)[C@H](CN(Cc5cccnc5)[C@@H]4c6ccccc6)C3c7ccc(Cl)nc7 - - - - inhibitor 11949192 CN1C[C@@H]2C(c3ccccc3)C4(CC2(C4)[C@H]1c5ccccc5)c6cccnc6 - - - - inhibitor 11949193 C(C1CCCCC1)N2C[C@@H]3C(c4ccccc4)C5(CC3(C5)[C@H]2c6ccccc6)c7cccnc7 - - - - inhibitor 11949194 FC(F)(F)c1ccc(CN2C[C@@H]3C(c4ccccc4)C5(CC3(C5)[C@H]2c6ccccc6)c7cccnc7)cc1 - - - - inhibitor 11949196 C(N1C[C@@H]2C(c3ccccc3)C4(CC2(C4)[C@H]1c5ccccc5)c6cccnc6)c7cccnc7 - - - - inhibitor 11949198 N#Cc1ccc(cc1)C23CC4(C2)[C@H](CN(CC5CCCCC5)[C@@H]4c6ccccc6)C3c7ccccc7 - - - - inhibitor 11949201 N#Cc1ccc(cc1)C23CC4(C2)[C@H](CN(Cc5cccnc5)[C@@H]4c6ccccc6)C3c7ccccc7 - - - - inhibitor 11949202 CN1C[C@@H]2C(c3ccc(cc3)C(F)(F)F)C4(CC2(C4)[C@H]1c5ccccc5)c6ccc(cc6)C#N - - - - inhibitor 11949206 FC(F)(F)c1ccc(cc1)C2[C@H]3CN(Cc4cccnc4)[C@H](c5ccccc5)C36CC2(C6)c7ccc(cc7)C#N - - - - inhibitor 11949211 CN1C[C@@H]2C(c3ccc(cc3)C(F)(F)F)C4(CC2(C4)[C@H]1c5ccccc5)c6cccnc6 - - - - inhibitor 11949212 FC(F)(F)c1ccc(cc1)C2[C@H]3CN(CC4CCCCC4)[C@H](c5ccccc5)C36CC2(C6)c7cccnc7 - - - - inhibitor 11949215 FC(F)(F)c1ccc(cc1)C2[C@H]3CN(Cc4cccnc4)[C@H](c5ccccc5)C36CC2(C6)c7cccnc7 - - - - inhibitor 11949216 CN1C[C@@H]2C(c3ccc(Cl)nc3)C4(CC2(C4)[C@H]1c5ccccc5)c6cccnc6 - - - - inhibitor 11949217 Clc1ccc(cn1)C2[C@H]3CN(CC4CCCCC4)[C@H](c5ccccc5)C36CC2(C6)c7cccnc7 - - - - inhibitor 11949218 FC(F)(F)c1ccc(CN2C[C@@H]3C(c4ccc(Cl)nc4)C5(CC3(C5)[C@H]2c6ccccc6)c7cccnc7)cc1 - - - - inhibitor 11949220 Clc1ccc(cn1)C2[C@H]3CN(Cc4cccnc4)[C@H](c5ccccc5)C36CC2(C6)c7cccnc7 - - - - inhibitor 11949221 COC(=O)c1cccc(c1)C23CC4(C2)[C@H](CN(C)[C@@H]4c5ccccc5)C3c6ccccc6 - - - - inhibitor 11949222 COC(=O)c1cccc(c1)C23CC4(C2)[C@H](CN(CC5CCCCC5)[C@@H]4c6ccccc6)C3c7ccccc7 - - - - inhibitor 11949223 COC(=O)c1cccc(c1)C23CC4(C2)[C@H](CN(Cc5ccc(cc5)C(F)(F)F)[C@@H]4c6ccccc6)C3c7ccccc7 - - - - inhibitor 11949225 COC(=O)c1cccc(c1)C23CC4(C2)[C@H](CN(Cc5cccnc5)[C@@H]4c6ccccc6)C3c7ccccc7 - - - - inhibitor 11949226 COC(=O)c1cccc(c1)C23CC4(C2)[C@H](CN(C)[C@@H]4c5ccccc5)C3c6ccc(cc6)C(F)(F)F - - - - inhibitor 11949230 COC(=O)c1cccc(c1)C23CC4(C2)[C@H](CN(Cc5cccnc5)[C@@H]4c6ccccc6)C3c7ccc(cc7)C(F)(F)F - - - - inhibitor 11949232 COC(=O)c1cccc(c1)C23CC4(C2)[C@H](CN(CC5CCCCC5)[C@@H]4c6ccccc6)C3c7ccc(Cl)nc7 - - - - inhibitor 11949235 COC(=O)c1cccc(c1)C23CC4(C2)[C@H](CN(Cc5cccnc5)[C@@H]4c6ccccc6)C3c7ccc(Cl)nc7 - - - - inhibitor 11954219 CCOC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)N\C(=C/C(=O)c4ccc(cc4)C(F)(F)F)\C - - - - inhibitor 12283192 Cc1csc(n1)c2nc3ccccc3n2C - - - - inhibitor 12283197 N1C(=C2N=C3C=CC=CC3=N2)SC=C1c4ccccc4 - - - - inhibitor 12283198 Cn1c(nc2ccccc12)c3nc(cs3)c4ccccc4 - - - - inhibitor 12598304 CC[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@]2(O)C#C - - - - inhibitor 14160162 CC(=O)OCC1OC(C=CC1OC(=O)C)c2ccc3OCOc3c2 - inhibitor - - inhibitor 14721893 COC(=O)c1cccc(c1)n2nnnc2S inhibitor - - - non-inhibitor 14722152 CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N3CCCC(C)C3 - inhibitor - non-inhibitor - 14722158 Cc1cc(N)n2ncc(c3ccc(Cl)cc3)c2n1 inhibitor - - non-inhibitor - 14722168 CCN(CC)c1ncnc2c1sc3nc(C)cc(C)c23 inhibitor - - non-inhibitor - 14722192 Clc1ccc(CCNc2nc3ccccc3s2)cc1 - inhibitor - inhibitor - 14722195 CCOc1cccc(c1)C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c4occc4 non-inhibitor - inhibitor - - 14722201 COC(=O)c1cn(CC(=O)N2CCCCC2C)c3ccccc13 - inhibitor inhibitor - - 14722207 Clc1ccc(cc1)N2CCN(CC2)C(=O)CSC3=NCCS3 - inhibitor - non-inhibitor - 14722641 COc1ccccc1CN(Cc2cc3cc4OCCOc4cc3nc2O)Cc5nnnn5Cc6occc6 - inhibitor - - inhibitor 14722642 CCOc1ccc2nc(O)c(CN(CCCO)Cc3nnnn3CCc4ccccc4)cc2c1 - - - - inhibitor 14722650 CCOc1cc(c(OCC)cc1n2cnnn2)S(=O)(=O)N(Cc3ccccc3)Cc4ccccc4 - - inhibitor non-inhibitor - 14722657 CCC(C)(C)n1nnnc1C(C(C)C)N(Cc2occc2)Cc3cc4cc5OCOc5cc4nc3O - inhibitor - - inhibitor 14722666 CCOc1ccc2nc(O)c(CN(CCc3ccccc3)C(=O)N4CCCC4)cc2c1 - - inhibitor - inhibitor 14723141 CCN(CC)S(=O)(=O)c1ccc2SC(=O)c3cccc1c23 inhibitor inhibitor - - - 14723163 CN(C)Cc1c(O)c2cc(C)ccc2nc1c3ccccc3 - - - inhibitor non-inhibitor 14723168 CCOC(=O)C1C(CC(=CC1=O)c2ccc(NS(=O)(=O)C)cc2)c3occc3 - - inhibitor non-inhibitor - 14723173 Oc1c2CCCc2nc3c(cnn13)c4ccccc4 inhibitor - - - non-inhibitor 14723177 Cc1ccc(Cn2nnc3c(O)nc(nc23)C4CCCN(C4)C(=O)Nc5ccc(F)cc5F)cc1 - - - - inhibitor 14723377 Cc1cccc(c1)C(=O)N2CCC(CC2)c3onc(n3)c4ccc(cc4)S(=O)(=O)N5CCOCC5 non-inhibitor - - inhibitor - 14723415 CCc1ccc2nc(Nc3nc(O)cc(COC)n3)nc(C)c2c1 - - inhibitor non-inhibitor - 14723694 Cn1cc(c2oc(nn2)c3ccccc3)c4ccccc14 inhibitor - - inhibitor - 14723715 Clc1cccc(NC(=O)CSc2oc(Cn3nnc4ccccc34)nn2)c1 - - - - inhibitor 14723726 COC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1c3ccccc3 - inhibitor - non-inhibitor - 14723733 O=C(CSc1nnc(COc2ccccc2)n1c3ccccc3)c4ccccc4 - inhibitor inhibitor - - 14723766 COc1cccc(c1)C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c4occc4 non-inhibitor - inhibitor - - 14723789 O=C(Cn1cc(C(=O)c2occc2)c3ccccc13)NCc4occc4 - inhibitor - - - 14723801 CCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc4ccccc4s3 - - inhibitor non-inhibitor - 14723808 CC(C)c1nc2ccccn2c1NC3CCCCC3 - - - inhibitor - 14723822 CCCn1nnc(NC(=O)c2oc(cc2)c3cccc(Cl)c3)n1 inhibitor - - non-inhibitor - 14723837 C1CCC(C1)n2nnnc2C(N3CCN4CCCC4C3)c5ccc6ncccc6c5 non-inhibitor - - - inhibitor 14723889 Cn1c(cc2sccc12)C(=O)Nc3ccccc3 inhibitor inhibitor - - - 14723898 CC(C)(Cc1ccccc1)NC(=O)C=C non-inhibitor - inhibitor - - 14723912 Clc1ccc(NC(=O)Nc2nccs2)cc1 inhibitor - - - non-inhibitor 14723915 CCOC(=O)Nc1ccc2OCOc2c1 inhibitor - - - - 14724066 Cc1ccccc1CSc2nsc(N)n2 - - inhibitor - - 14724088 COc1ccccc1OP(=O)(C)Nc2c(C)cccc2C - inhibitor non-inhibitor - - 14724116 Cc1cc(C)n(n1)c2nc(Nc3ccccc3C)nc(n2)n4nc(C)cc4C non-inhibitor - - - inhibitor 14724124 CCn1c(COc2ccc(OC)cc2)nc3ccccc13 - inhibitor - - inhibitor 14724131 Cc1cccc(NCCNc2cccc(C)c2)c1 inhibitor inhibitor - - - 14724146 CCOC(=O)CSc1nnc(Cc2ccccc2)n1c3cccc(Cl)c3 - - - inhibitor inhibitor 14724170 CC(NC(=O)CCSc1nc(cc(n1)C(F)(F)F)c2occc2)c3ccccc3 - inhibitor - - - 14725795 COCCCN1C(=O)c2c3CCCc3sc2N=C1SCc4oc(nn4)c5ccccc5 - - inhibitor non-inhibitor - 14726066 Cc1cc(C(C#N)c2cccc(Cl)c2)n3ncnc3n1 inhibitor - - non-inhibitor - 14726076 CCn1nnnc1SCC(=O)c2ccc3OCCOc3c2 inhibitor - - - non-inhibitor 14726102 CC1CC(C)CN(Cc2nc(N)nc(Nc3ccccc3)n2)C1 - non-inhibitor - inhibitor - 14726108 O=C(CCc1ccccc1)Nc2nncs2 inhibitor - - - - 14726109 COc1ccccc1NC(=O)N2CCCC2C(=O)NCc3ccc4OCOc4c3 - - non-inhibitor - inhibitor 14726308 CCC12CN3CC(CC)(CN(C1)C3c4cccnc4)C2=O - - - non-inhibitor inhibitor 14726317 Clc1ccc(cc1)c2csc(NCC=C)n2 inhibitor inhibitor - - - 14726371 CCc1nc(N2CCC3(CC2)OCCO3)c4nnn(Cc5ccccc5Cl)c4n1 inhibitor - - non-inhibitor - 14727019 CCN(CC)c1ccc2C(=CC(=O)Oc2c1)Cl inhibitor - - - - 14727074 CCCOc1ccc(Cn2c(C)nc(c2SCC(O)COC)[N+](=O)[O-])cc1[N+](=O)[O-] non-inhibitor inhibitor - - - 14727134 CCCCn1nnnc1SCC(=O)c2cc(Cl)ccc2OC inhibitor inhibitor - - - 14727137 Clc1ccccc1c2onc(c2)C(=O)NCc3ccccn3 inhibitor - - - - 14727151 Cc1cc(C)nc(Nc2n[nH]c(n2)c3cccc4ccccc34)n1 inhibitor - non-inhibitor - - 14727156 CCc1ccc(cc1)C(=O)CN(C#N)c2nc(C)cc(C)n2 - inhibitor - inhibitor - 14727166 CCCN1C(=O)C(CC2=Nc3ccccc3C(=O)N2C)c4ccccc14 - inhibitor - - inhibitor 14727172 COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c3occc3 - inhibitor inhibitor - - 14727189 Clc1ccc(cc1Cl)C2=NOC(C2)C(=O)NCc3ccccn3 inhibitor - - non-inhibitor - 14727206 CC(C)n1nnnc1SCC(=O)NCc2ccc3OCOc3c2 - inhibitor - - inhibitor 14727207 Cn1ncc(C#N)c1NC(=O)C2CC(=NO2)c3ccc(Cl)cc3 - inhibitor - inhibitor - 14727216 CN1CCN(CC1)C(=O)CCCOc2ccc(Cl)cc2C - inhibitor - - - 14727217 O=C1Sc2ccccc2N1CCCOc3ccccc3 - inhibitor - - - 14727229 Clc1ccccc1OCc2oc(cc2)C(=O)OCc3ccccn3 inhibitor - - - - 14727239 Clc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1 inhibitor - - inhibitor - 14727243 Cc1ccc(OCCCN2C(=O)Sc3ccccc23)cc1 non-inhibitor inhibitor - - - 14727245 Cn1c(NCc2cccnc2)ncc1c3ccc(Br)cc3 - - - inhibitor inhibitor 14727250 CCn1ccc(n1)C(=O)Oc2ccc(Cl)cc2 - - inhibitor - non-inhibitor 14727267 CCOC(=O)C1=C(CN2C(C)Cc3ccccc23)NC(=O)NC1c4ccccc4 - inhibitor - non-inhibitor - 14727268 Cc1cc2nc([nH]c2cc1C)C3CCCN(C3)C(=O)NCc4ccccc4 - - - inhibitor inhibitor 14727290 Fc1ccc(CN2C=CC=C(NC(=O)NC3CCCCC3)C2=O)cc1 - inhibitor - non-inhibitor - 14727296 Cc1ccc(CN2C=CC=C(NC(=O)NC3CCCCC3)C2=O)cc1 - - inhibitor non-inhibitor - 14727299 CC(C)n1nnnc1SCC(=O)NCCc2ccccc2 - inhibitor - - - 14727313 CC(C)n1nnnc1SCC(=O)N2C(C)Cc3ccccc23 - inhibitor - non-inhibitor - 14727318 CC(C)OC(=O)c1cc2c(ccn2C)n1CC(=O)N3CCC(Cc4ccccc4)CC3 - - - - inhibitor 14727323 Fc1ccc(NC(=O)CSc2nnnn2C3CCCC3)cc1 - inhibitor - - - 14729723 CCOC(=O)c1ccc(NC2=NC(=O)c3cccnc3S2)cc1 - - inhibitor non-inhibitor - 14730073 COC(=O)\C=C\CSC1=N\C(=C\c2ccc(cc2)n3cncn3)\C(=O)N1 inhibitor - - - inhibitor 14730114 CCn1c(C)nc2C(=O)c3ccccc3C(=O)c12 inhibitor - - non-inhibitor - 14730506 CC(=O)N1CCN(CC1)c2ccccc2NC(=O)COc3ccc(Br)cc3 - - - - inhibitor 14730570 CC(C)CCn1c(Oc2ccccc2Cl)nc3N(C)C(=O)N(C)C(=O)c13 - - inhibitor non-inhibitor - 14730637 COc1ccc(Cl)cc1NC(=O)C23CCC(C)(C(=O)O2)C3(C)C - inhibitor - non-inhibitor - 14731223 CC(=C)c1cccc(c1)C(C)(C)NC(=O)N2CCN(C\C=C\c3ccccc3)CC2 - - inhibitor - non-inhibitor 14731252 COc1cc(CNC(C)(C)CO)ccc1OCC(=O)Nc2ccc(Br)cc2 - - - inhibitor non-inhibitor 14731453 Cc1ccc(NC(=O)c2cc(ccc2N3CCOCC3)N4C(=O)C5CC=CCC5C4=O)cc1Cl inhibitor - - non-inhibitor - 14732051 Clc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 - - - inhibitor non-inhibitor 14732078 CCOc1ccc(cc1)C2=[N+]([O-])c3ccccc3N(OCc4ccccn4)C2=O - - inhibitor non-inhibitor - 14732354 COc1ccccc1C(=O)O\N=C\2/CCCc3c2ccc(OC)c3[N+](=O)[O-] inhibitor inhibitor - - - 14732428 CC1CSC2=Nc3sc4CCCCc4c3C(=O)N12 inhibitor - - non-inhibitor - 14732501 Cc1n[nH]c(SCc2cccc(Oc3ccccc3)c2)n1 - inhibitor - - - 14732645 Cc1ccccc1n2ncc3c(cc(cc23)[N+](=O)[O-])[N+](=O)[O-] inhibitor inhibitor - - - 14732883 Cc1ccc(CC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F)cc1 - - - - inhibitor 14732895 [I-].COC(=O)c1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3ccc(OC)c(OC)c3OC - inhibitor - - - 14732899 Cc1ccc(Nc2nnns2)cc1 inhibitor - - inhibitor - 14732900 CN1CCN(CC1)c2nc(nc(S)c2C(=O)C)c3ccccc3 - non-inhibitor inhibitor - - 14732905 CN1CCN(CC1)C(=O)c2oc(COc3ccc(cc3)C(C)(C)C)cc2 - - - inhibitor non-inhibitor 14733416 COC(=O)c1ccccc1Oc2c(F)c(F)nc(N3CCOCC3)c2F - inhibitor - - non-inhibitor 14733825 Clc1ccc(COC(=O)CCc2oc(c3ccccc3)c(n2)c4ccccc4)cc1 - inhibitor - non-inhibitor - 14734251 CC1(C)CC(=O)C2=C(C1)N(Cc3cccnc3)C(=O)C2(NC(=O)c4cccnc4)C(F)(F)F - - inhibitor non-inhibitor - 14734355 CCCCN(CC)C(=O)Cc1ccccc1OC - inhibitor non-inhibitor - - 14734519 CN(CCO)c1cc(Sc2nc3ccccc3s2)c4nonc4c1[N+](=O)[O-] - - inhibitor - - 14734768 COc1ccc(NC(=O)CCOc2ccccc2)cc1 inhibitor inhibitor - - - 14734803 Brc1ccc(OCC(=O)N2CCC(C2)c3ccccc3)cc1 inhibitor inhibitor - - - 14735050 Fc1ccccc1OCCCCSc2ncccn2 - inhibitor - - non-inhibitor 14735104 Cc1nnc(C)n1\N=C\c2ccc(cc2)c3ccccc3 inhibitor non-inhibitor - - - 14735110 COc1ccc2\C(=N\OC(=O)c3ccccc3SC)\CCCc2c1[N+](=O)[O-] inhibitor inhibitor - - - 14735228 Cc1nc2c(cnn2c(C)c1Cc3ccc(Cl)cc3)C(=O)N4CCOCC4 - inhibitor inhibitor - - 14735394 CC(NC(=O)c1ccc(cc1)N2CCCC2=O)c3ccccc3 - non-inhibitor - inhibitor - 14735735 C1CCC2(CC1)Cc3ccccc3c4nnc(c5cccnc5)n24 - - - non-inhibitor inhibitor 14735982 O=C(NN=C1C(=O)c2ccccc2C1=O)c3ccccc3 - inhibitor - - non-inhibitor 14736472 Cc1ccc(cc1)N2C(=S)SC(=C2N)C(=O)NCc3occc3 inhibitor - - - - 14736515 CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1 inhibitor inhibitor - - - 14736604 FC(F)(F)c1cccc(c1)N2CCN(CC3CC4CC3C=C4)CC2 - inhibitor - inhibitor - 14736953 Cc1ccc(cc1)c2cc(N)n(n2)c3ccc(C)cc3 - - inhibitor - - 14737246 CNc1nc(NCCOC23CC4CC(CC(C4)C2)C3)nc(OCC(F)(F)F)n1 - inhibitor - non-inhibitor - 14737249 COc1ccc2C(C3=C(O)CCCC3=O)C4=C(CCCC4=O)Oc2c1 inhibitor - - - non-inhibitor 14737259 COc1cc(OC)c(C#N)c(c1)S(=O)(=O)Cc2ccccc2 - inhibitor - non-inhibitor - 14737407 COC(=O)C1=C(N)N(C2=C(C1c3ccc4OCOc4c3)C(=O)CCC2)c5ccccc5C(F)(F)F - - - - inhibitor 14737448 CN(C(=O)Oc1cccc2ccc(C)nc12)c3ccc(C)cc3 - inhibitor - non-inhibitor - 14737478 Cc1c(nnn1c2nonc2N)C(=O)N3CCCCCC3 - inhibitor - - - 14737481 CC(=O)C1=C(C)N(CC=C)C(=S)N=C1N2CCN(CC2)c3ccccc3 non-inhibitor inhibitor - - - 14737572 CC(C)CNC(=O)c1oc(COc2ccc(Cl)cc2Cl)cc1 - inhibitor inhibitor - - 14737577 COC(=O)c1ccccc1NC(=O)c2c(Br)cnn2C inhibitor - - non-inhibitor - 14737599 CC(C)CCNC(=O)c1cnn2c(O)c(Cc3ccccc3F)c(C)nc12 - - inhibitor - - 14737914 CN(CCCNC(=O)C1=CC=CN2C(=O)c3ccccc3N=C12)Cc4ccccc4 - - - inhibitor inhibitor 14738123 COc1ccc(\C=N\Nc2nonc2N)cc1 inhibitor - - - non-inhibitor 14738200 COC(=O)CCSc1cc(cc2c1c(nn2c3ccccc3)C4OCCS4)[N+](=O)[O-] - - inhibitor - - 14738414 COc1cccc(c1)\N=C\2/Oc3c(C)ncc(CO)c3C=C2C(=O)N inhibitor - - non-inhibitor - 14738484 CC(=O)NCCN1C(=Nc2ccccc2C1=O)SCc3ccc(C)cc3 - inhibitor inhibitor - - 14738489 Clc1ccccc1CNC(=O)c2ccc3C(=O)N(CCCN4CCCC4=O)C(=S)Nc3c2 non-inhibitor - inhibitor - - 14738535 CCOC(=O)NCN1C(=O)C2C3CC(C=C3)C2C1=O - - non-inhibitor - inhibitor 14738614 O=C(N1CCN(CC1)c2ncccn2)c3ccc4nc(c5occc5)c(nc4c3)c6occc6 - - inhibitor non-inhibitor - 14738667 CCOC(=O)c1cnc2cc(nn2c1c3ccccc3)c4ccc(C)cc4 inhibitor - - non-inhibitor - 14739056 CCOC(=O)Nc1ccc(C)cc1NC(=O)OCC inhibitor - - - non-inhibitor 14739371 CCOC(=O)C1CCCN(C1)C(=O)CSCc2ccccc2 non-inhibitor - inhibitor - - 14739401 OC1=C(C(N(Cc2occc2)C1=O)c3ccccc3)C(=O)c4cccs4 - non-inhibitor inhibitor - - 14739423 Cc1ccc(OCCCC(=O)N2CCOCC2)cc1 - inhibitor - non-inhibitor - 14739483 Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)C)cc1C - inhibitor - - - 14739733 CC(=O)OCc1nc2ccccc2s1 inhibitor - - non-inhibitor - 14739846 CSc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1 - - - inhibitor non-inhibitor 14740127 CC(C)(C)\N=C(/S)\Nc1ccc(Nc2ccccc2)cc1 - inhibitor inhibitor - - 14740230 Cc1oc(cc1)C(c2oc(C)cc2)c3cccc(c3O)[N+](=O)[O-] - inhibitor inhibitor - - 14740359 Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)N3CCN(CC3)c4ccccc4 - - inhibitor - inhibitor 14740360 COc1ccc(cc1)c2c(C)nn(Cc3ccccc3)c2N - inhibitor inhibitor - - 14740687 CC1=CC(C)(C)N(C(=O)c2ccccc2)c3ccc(C)cc13 - - - non-inhibitor inhibitor 14740711 COc1ccc(cc1)N2C(=S)SC(=C2N)C(=O)NCc3occc3 - - inhibitor - - 14740837 CCCCN1C(=O)NC(=O)\C(=C(\CC)/Nc2ccc(OC)cc2OC)\C1=O - - - - inhibitor 14740853 CCCN1C2=C(CCCC2)C(=C(C(=O)NCc3ccccc3)C1=O)O inhibitor - - inhibitor - 14740865 Clc1ccc(cc1)C2CN=NC23CCc4ccccc4C3=O - inhibitor - - - 14740939 COC(=O)C(NC(=O)c1ccc(Cl)cc1)(Nc2nc(C)cs2)C(F)(F)F - inhibitor inhibitor - - 14741027 CCC(O)CNc1nc(nc2sc3COC(C)(C)Cc3c12)n4nc(C)cc4C - - - non-inhibitor inhibitor 14741028 CN(C)CCSc1nc(nc2sc3CCCCc3c12)n4nc(C)cc4C - - - inhibitor - 14741032 COc1ccc2[nH]c3c(NCCCN4CCCC4=O)ncnc3c2c1 - - inhibitor non-inhibitor - 14741037 CC(C)c1ccc(CN(C2CCS(=O)(=O)C2)C(=O)C3COc4ccccc4O3)cc1 - inhibitor - - - 14741098 Cc1ccc(cc1)C2=NN(C(C2)c3cccs3)S(=O)(=O)C - inhibitor - - non-inhibitor 14741127 CCn1c(SCc2nc3ccccc3[nH]2)nnc1c4ccc(OC)cc4 - inhibitor - - inhibitor 14741167 CSc1[nH]c(nc1S(=O)(=O)c2ccccc2)c3ccc(C)cc3 - inhibitor - non-inhibitor - 14741242 O=C(NCCCN1CCOCC1)C2COc3ccccc3O2 non-inhibitor - - inhibitor - 14741252 Clc1ccc(cc1)C2=NN(CCC(=O)NCCN3CCOCC3)C(=O)c4ccccc24 non-inhibitor - - - inhibitor 14741257 CON(c1nc(nc(n1)N(C)C)N(C)C)S(=O)(=O)c2ccccc2Cl - inhibitor - - - 14741300 C=CC\N=C(/NC#N)\SCc1ccccc1 inhibitor - - - non-inhibitor 14741440 Cc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)C3=Cc4ccccc4OC3=O)cc1 - - - non-inhibitor inhibitor 14741450 CCN(CC)Cc1c(O)c(Cl)cc2C3=C(CCCC3)C(=O)Oc12 - - - inhibitor non-inhibitor 14741457 CCCc1ccc(Oc2cc(C)nc(n2)N3CCOCC3)cc1 inhibitor - - - non-inhibitor 14741495 [K+].[O-]\N=C(/C#N)\c1nc(cs1)c2ccccc2 inhibitor - - - - 14741538 Cc1cccc(C2NC(=O)c3c(C)c(C)sc3N2)c1O inhibitor - - non-inhibitor - 14741540 CCc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)C3=Cc4ccccc4OC3=O)cc1 - - inhibitor non-inhibitor - 14741541 CCCC(=O)Nc1nc2nc(cc(c3ccccc3)n2n1)c4ccccc4 inhibitor - inhibitor - - 14741590 CC(NC(=O)c1ccccc1)c2nc3ccccc3n2Cc4ccccc4F - inhibitor inhibitor - - 14741594 CCOC(=O)C1=C2SCC(=O)N2C(=C(C1)C#N)N inhibitor - - - non-inhibitor 14741617 CCCN(CCC)\C=N\c1sc2CCCCCc2c1C#N - inhibitor - - inhibitor 14741632 CCN(CC)Cc1nc(O)c2c(n1)c3ccccc3CC24CCCC4 inhibitor - - - - 14741648 CCCCC1(C)Nc2ccccc2c3nc4ccccc4n13 - inhibitor - - inhibitor 14741662 CCOc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)c3oc4ccccc4c3C)cc1 - inhibitor inhibitor - - 14741692 Oc1ccccc1P(=O)(O)CP(=O)(c2ccccc2)c3ccccc3 - - inhibitor - - 14741701 CC(C)CN(CC(C)C)Cc1c(O)ccc2C3=C(CCC3)C(=O)Oc12 - - - inhibitor - 14741703 CCC\N=C\c1c(CCC)nn(c1O)c2nc3ccccc3s2 inhibitor - inhibitor - - 14741821 CCn1c(COc2ccc(C)cc2)nnc1SCc3ccc(cc3)C#N - - - non-inhibitor inhibitor 14742019 Cc1cccc(NC(=O)CSc2nnc(c3occc3)c(n2)c4occc4)c1C - inhibitor inhibitor - - 14742062 COC(=O)CNC(=O)CN1C(=O)N(C(N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c3ccc(Cl)cc3 - - - - inhibitor 14742107 C\C(=C\1/C(=O)NC(=O)N(C1=O)c2ccccc2)\NCc3occc3 - inhibitor - - non-inhibitor 14742113 Cc1cc(OC(=O)CCCNC(=O)OC(C)(C)C)c2C3=C(CCC3)C(=O)Oc2c1 inhibitor - - - non-inhibitor 14742161 CCOC(=O)\C(=C/1\SC(CC)C(=O)N1c2ccc(Br)cc2)\C#N - inhibitor - - - 14742192 COc1ccc(cc1)N2C(=O)NC(=O)\C(=C(\C)/NCCCn3ccnc3)\C2=O - - - inhibitor non-inhibitor 14742195 Fc1ccc(cc1)C2CC(=O)c3cnc(NCC4CCCO4)nc3C2 - inhibitor - non-inhibitor - 14742247 CN1C(C2=C(Oc3ccccc13)N(C)C(=O)N(C)C2=O)c4cccc(c4)[N+](=O)[O-] non-inhibitor - inhibitor - - 14742257 COn1c2CCc3nonc3c2nc1c4ccccc4 inhibitor - - non-inhibitor - 14742383 Cc1nnc2c(Oc3ccccc3)nc4ccccc4n12 inhibitor - - - - 14742384 CCCOc1ccc(cc1)c2nc(OC)c3ccccc3n2 inhibitor - - non-inhibitor - 14742457 CCC(=O)N(C)\C=C\1/Sc2ccccc2C1=O inhibitor - - non-inhibitor - 14742458 CC(=O)N(\N=C\1/Sc2ccccc2C1=O)c3ccccc3C - inhibitor - non-inhibitor - 14742720 CN(C)CCN1C(=O)N(Cc2occc2)C(=O)c3c4CCCCCc4sc13 inhibitor - - inhibitor - 14742737 Oc1ccc(C2Nc3cccc4cccc(N2)c34)c(O)c1 inhibitor inhibitor - - - 14742739 Oc1ccc2oc3CCCCc3c2c1 inhibitor - - non-inhibitor - 14742819 Cc1nc(\N=C(/N)\S)sc1C(=O)Nc2ccccc2 inhibitor - - non-inhibitor - 14742830 COc1ccc2[nH]c(SCC(=O)c3occc3)nc2c1 inhibitor - - - - 14743091 COc1cc2c(C(=O)N3CCN(C)CC3)c(C)n(c4ccccc4)c2cc1Br - - - non-inhibitor inhibitor 14743140 CCOC(=O)CNC(=O)CSc1nnc(c2ccncc2)n1c3ccc(Cl)cc3 non-inhibitor - - - inhibitor 14743165 CCOC(=O)c1oc2nc(CC(C)C)c3CCCc3c2c1N inhibitor - - - inhibitor 14743168 O=C(CN1C(=O)N(Cc2occc2)C(=O)c3c4CCCCCc4sc13)c5ccccc5 - inhibitor inhibitor - - 14743175 [O-][N+](=O)c1ccc(Cl)c(\C=N\N2CCN(Cc3ccccc3)CC2)c1 inhibitor - - - non-inhibitor 14743249 CC(C)ON1C(=Nc2ccccc2C1=O)SC(C)C inhibitor - - - non-inhibitor 14743319 Cc1nn2C(C3=C(O)CCCC3=Nc2c1c4ccccc4)c5ccccc5 non-inhibitor - - - inhibitor 14743343 Cc1cc(C)nc(Nc2n[nH]c(COc3cccc4ccccc34)n2)n1 - non-inhibitor - - inhibitor 14743505 COc1ccc(cc1)C(=O)NCS(=O)(=O)c2ccc(C)cc2 - inhibitor - non-inhibitor - 14743548 CCCCCCN1C=CC(=C\C=C(/C#N)\C(=O)OCC)C=C1 non-inhibitor - inhibitor - - 14743550 Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N4CCN(CC4)c5ccccc5 - - - non-inhibitor inhibitor 14743553 CCOC(=O)c1ccccc1\N=C\C2=C(O)CCCC2 inhibitor - - - non-inhibitor 14743558 CCC(=O)Nc1cccc(c1)c2oc(nn2)c3cccc(NC(=O)CC)c3 non-inhibitor inhibitor - - - 14743560 COc1cccc(\C=N\NC(=O)CO\N=C(/C)\c2cccs2)c1OC inhibitor - - non-inhibitor - 14743565 CCCc1nn(c2OC(=C(C#N)C(c3cccs3)c12)N)c4ccccc4 inhibitor - inhibitor - - 14743665 Cc1cc2nnc(SCCCCN3C(=O)c4ccccc4C3=O)n2c5ccccc15 - - - non-inhibitor inhibitor 14743822 CC12COC3(CC1CCC23C)C(=O)Nc4nccs4 - inhibitor inhibitor - - 14743841 O=C(CC1CCCC1)Nc2ccc3CCCc3c2 - inhibitor non-inhibitor - - 14743885 CCN1CCc2nc(NC(=O)CC(c3ccccc3)c4ccccc4)sc2C1 - inhibitor - inhibitor - 14743916 CCCC(C(=O)Nc1nccs1)c2ccccc2 inhibitor inhibitor - - - 14743956 COc1ccc(Nc2nc(N3CCCCC3)c4ccccc4n2)cc1 inhibitor - - inhibitor - 14744051 COc1cc(ccc1OCc2c(C)onc2C)C(=O)OC(C)C(=O)Nc3ccc4OCOc4c3 - - - - inhibitor 14744319 CC(Sc1cc(C)c2ccccc2n1)C(=O)NC3=C(C)N(C)N(C3=O)c4ccccc4 inhibitor - - non-inhibitor - 14744336 COc1ccc2CC(=O)N(C(=O)c2c1)c3ccccc3 - - - non-inhibitor inhibitor 14744365 CC(C)c1ccccc1n2c(SCC(=O)N3CCN(CC3)c4ccccc4)nnc2c5cccnc5 non-inhibitor - - - inhibitor 14744366 CCCN1C(=C(C(=O)CSc2nc(C)cs2)C(=O)N(C)C1=O)N - inhibitor - - inhibitor 14744434 SC1=NC2=C(C(N1)c3ccc(Cl)cc3)C(=O)N(C(N2)c4ccc(Cl)cc4)c5ccc(Cl)cc5 - inhibitor - - inhibitor 14744453 CCN(CC)C(=O)CCNS(=O)(=O)c1ccc(C)cc1 - inhibitor - non-inhibitor - 14744458 COc1ccccc1CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2 - - inhibitor - inhibitor 14744479 Clc1ccc(s1)S(=O)(=O)N2CCc3ccccc3C2 - inhibitor - - non-inhibitor 14744491 CC1=Nc2ccccc2/C/1=C\c3nc(oc3O)c4ccc(cc4)C(F)(F)F inhibitor - - non-inhibitor - 14744501 OP(=O)(c1ccccc1)c2nc3ccccc3n2CC=C - inhibitor - non-inhibitor - 14744528 COc1cc2CCN(CC(=O)Nc3ccc4OCOc4c3)Cc2cc1OC - - - inhibitor inhibitor 14744534 CCNC(=O)NC(=O)CSc1nc2ccccc2n1CC(C)C - inhibitor - - - 14744555 COc1ccc(OCCSc2nc[nH]n2)cc1 inhibitor - - - - 14744578 O=C(Nc1nnc(s1)C2CC2)c3ccncc3 - - inhibitor non-inhibitor - 14744583 Cc1ccc(N\C(=C(\C(=O)c2ccc(C)c(c2)[N+](=O)[O-])/[n+]3ccccc3)\[S-])cc1C - inhibitor non-inhibitor - - 14744585 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl - inhibitor inhibitor - - 14744594 CC(C)CNS(=O)(=O)c1cc(C(=O)N2CC(C)OC(C)C2)c(Cl)cc1Cl non-inhibitor - - - inhibitor 14744714 COC(=O)c1ccc(CSc2nnc(NC(C)C)s2)cc1 - inhibitor - non-inhibitor - 14744774 CC(=O)N1CCN(CC1)C(=O)CC2OC(=O)c3ccccc23 - inhibitor - non-inhibitor - 14744800 CC(Sc1nnc(C(C)N(C)C)n1c2ccc(Cl)cc2)C(=O)Nc3ccc4OCOc4c3 - - - - inhibitor 14744849 COc1ccc(CCN2CC(=O)C(=C2N)c3nc(C)cs3)cc1OC - - inhibitor non-inhibitor - 14744869 Nc1nnc(SCCOc2cccc(Br)c2)s1 inhibitor inhibitor - - - 14744871 CC(C)\N=C\1/SC=C(N1\N=C\c2ccc(O)c(O)c2)c3occc3 - inhibitor - - - 14744908 Cc1csc(NC(=O)Cc2c[nH]c3ccccc23)n1 - inhibitor - - - 14744985 CSc1cccc(NC(=O)c2ccc(Cl)nc2)c1 inhibitor - - - non-inhibitor 14744993 COc1ccccc1NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)Nc3cc(C)on3 - inhibitor - - inhibitor 14745011 COc1ccc(CNC(=O)c2cnc(C)cn2)cc1 - - - non-inhibitor inhibitor 14745111 CCc1nnc(NC(=O)c2cc(nn2c3ccccc3)c4ccccc4)s1 - - inhibitor non-inhibitor - 14745112 Cc1onc(NC(=O)CSc2n[nH]c(n2)c3cccs3)c1 inhibitor - - non-inhibitor - 14745116 O=C(CSc1nnc(c2cccc(c2)S(=O)(=O)N3CCOCC3)n1C4CCCCCC4)NCc5ccccc5 - - - inhibitor inhibitor 14745121 CN(C)c1ccc(\C=C\2/SC(=S)N(Nc3ncc(cc3Cl)C(F)(F)F)C2=O)cc1 inhibitor - - non-inhibitor - 14745131 CC(=O)NCCC(=O)Nc1sc2CCCCc2c1c3nc4ccccc4[nH]3 inhibitor - - non-inhibitor - 14745136 O=C(N1CCN(C\C=C\c2ccccc2)CC1)C3=NN(Cc4ccccc4)C(=O)c5ccccc35 - - inhibitor - inhibitor 14745171 CC(C)CCNC(=O)COC(=O)c1cc(C)nc2ccccc12 inhibitor - - non-inhibitor - 14745179 Cc1cccc(NC(=O)C2=CC(=O)c3ccccc3O2)n1 inhibitor - inhibitor - - 14745191 CC(C)C(C)NC(=O)CSc1nnc(c2cc(nc3ccccc23)c4ccc(C)cc4)n1N - - inhibitor non-inhibitor - 14745228 O=C1N(CSc2nnnn2c3ccccc3)N=Nc4ccccc14 - inhibitor - - - 14745229 Cc1cc(N)n(n1)c2ccc3ccccc3c2 inhibitor - - - - 14745230 Fc1ccc(F)c(NC(=O)Cn2c(nc3ccccc23)c4cscn4)c1 inhibitor inhibitor - - - 14745271 CCc1nnc(S)n1\N=C\c2ccc3OCOc3c2 inhibitor non-inhibitor - - - 14745310 CSCC[C@H](NC(=O)C1=NN(C)C(=O)c2ccccc12)c3nc4ccccc4[nH]3 - - inhibitor non-inhibitor - 14745317 CCNC1=NN=C(CS1)c2ccc(C)cc2 - inhibitor inhibitor - - 14745412 Cc1cccc(C)c1NC(=O)\C(=C\c2cccs2)\C#N - inhibitor - inhibitor - 14745417 CC1=CC=CN2C(=O)C(=C(N=C12)N3CCCC3)\C=N\O inhibitor - - - - 14745418 Cc1cc2ccccn2c1C(=O)c3nc(ncc3Cl)N4CCOCC4 - inhibitor - non-inhibitor - 14745428 CN1N(C(=O)C(=C1C)\N=C(/S)\C=C\2/N(C)c3ccccc3C2(C)C)c4ccccc4 non-inhibitor - - - inhibitor 14745494 O=C(CN1C(=O)Oc2ccccc12)NC(=O)NCc3ccccc3 - inhibitor - non-inhibitor - 14745526 Cc1ccc(cc1)\N=C\c2cc(C)n(C3CCCC3)c2C inhibitor - inhibitor - - 14745528 COc1cc(\C=C(/C#N)\c2nc3CCC(C)Cc3s2)ccc1O inhibitor - - - - 14745531 COc1ccc(cc1OC)C2(C)NC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O - - inhibitor - inhibitor 14745588 O=C(N\N=C\c1ccncc1)c2nc(c3ccccc3)n4CCCCCc24 - - inhibitor - inhibitor 14745788 FC(F)Sc1ccc(NC2=NN=C(CS2)c3ccc4OCCOc4c3)cc1 - inhibitor - - - 14745853 CCOc1ccc(cc1)n2c(O)nnc2SCC(=O)Nc3ccccc3C non-inhibitor inhibitor - - - 14745859 Fc1ccc2nc(NC(=O)C3CCCO3)sc2c1 inhibitor - - - non-inhibitor 14745866 Clc1ccc(cc1)C(=O)NC(Cc2c[nH]c3ccccc23)c4nnc5CCCCCn45 - - non-inhibitor - inhibitor 14745870 CN1CCC2C(C1)c3cc(C)ccc3N2C(=O)Nc4cccc(Cl)c4 - - - inhibitor non-inhibitor 14745920 CCS(=O)(=O)c1ccc2oc(Nc3cc(C)cc(C)c3)nc2c1 inhibitor - inhibitor - - 14745934 Cc1ccc(cc1)N2C(=O)\C(=C\Nn3cnnc3)\c4ccccc4C2=O - inhibitor inhibitor - - 14745962 CC(=O)Nc1ccc(NC(=O)CSc2nnc(c3ccccc3)n2Cc4ccc5OCOc5c4)cc1 - inhibitor - - inhibitor 14745984 Cc1nc2C(=O)c3ccccc3C(=O)c2n1C4CCCCC4 inhibitor inhibitor - - - 14745996 COCC(C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c1C - inhibitor - - inhibitor 14745998 Cc1nn(c(C)c1NS(=O)(=O)c2ccc3ccccc3c2)c4ccc(F)cc4 - inhibitor - - inhibitor 14746025 Cc1cc2ccccn2c1C(=O)c3ccc(Cl)cc3 inhibitor inhibitor - - - 16078986 S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1 - - - - inhibitor 16102146 CC1=CC[C@@H]2[C@@H](C1)c3c(O)cc(CC#CCCCNS(=O)(=O)C)cc3OC2(C)C - - - - inhibitor 16667736 CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)\C=C/c3scnc3C)\c4csc(N)n4 - - - - inhibitor 16667741 COc1ccc2C(=O)C(Cc3ccc(O)c(OC)c3)COc2c1 - - - - inhibitor 16757636 COC(=O)[C@@]1(O)OC[C@]23C(CC(OC(=O)C)[C@]4(COC(C(O)[C@](C)(C12)C56O[C@@]5(C)C7CC6OC8OC=C[C@@]78O)C34)C(=O)OC)OC(=O)\C(=C\C)\C - - - - inhibitor 16757641 CCCCC(=O)O[C@]1(C(C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)C(O)C[C@@]12C)C(=O)CO - - - - inhibitor 16757656 C[C@@]12Cc3cnoc3C=C1CCC4C2CC[C@@]5(C)C4CC[C@@]5(O)C#C - - - - inhibitor 16757677 C[C@]12CCC3C(CCc4cc(O)ccc34)C1CCC2OC(=O)CCC5CCCC5 - - - - inhibitor 16757679 C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@]2(O)C#C - - - - inhibitor 16757681 CC1CC2C3CC(F)C4=CC(=O)C=C[C@@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@]1(O)C(=O)COC(=O)C(C)(C)C - - - - inhibitor 16757691 CCCCCC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@@]4(C)C3CC[C@@]12C)C(=O)C - - - - inhibitor 16757695 CC(=O)N1CCN(CC1)c2ccc(OCC3CO[C@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2 - - - - inhibitor 16757758 CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@@]2(O1)C(=O)CO - - - - inhibitor 16757792 COC1C[C@@H](O[C@H]2C(C)C(OC3OC(C)CC([C@H]3OC(=O)C)N(C)C)C(C)C[C@]4(CO4)C(=O)C(C)[C@@H](OC(=O)C)C(C)C(C)OC(=O)C2C)OC(C)[C@@H]1OC(=O)C - - - - inhibitor 16757823 CC(=O)OC1C(O)C2C(C)(C)CCC(O)[C@]2(C)[C@]3(O)C(=O)C[C@](C)(O[C@]13C)C=C - - - - inhibitor 16757829 CCC(=O)O[C@]1(C(C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)C(O)C[C@@]12C)C(=O)CCl - - - - inhibitor 16757838 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(O[C@@H]4OC5COC(OC5C(O)C4O)c6cccs6)c7cc8OCOc8cc27 - - - - inhibitor 16757840 CC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@]2(C)CCC1=O - - - - inhibitor 16757843 CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](O[C@@H]3OC(C)CC(C3O)N(C)C)[C@](C)(CC(C)C(=O)[C@@H](C)C(O)[C@]1(C)O)OC - - - - inhibitor 16757848 C[C@@]12CCC(=O)C=C1C=CC3C2CC[C@]4(C)C3CC[C@@]45CCC(=O)O5 - - - - inhibitor 16757861 CC(=O)OC1CC2C(C)(C)C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(OC(=O)C5O[C@]45[C@]13C)c6cocc6 - - - - inhibitor 16757867 CC[C@@]1(O)CC(O)c2c(O)c3C(=O)c4c(O)ccc(O)c4C(=O)c3cc2C1C(=O)OC - - - - inhibitor 16757868 CC1=C(O)C(=O)C=C2C1=CC=C3[C@]2(C)CC[C@@]4(C)C5C[C@@](C)(CC[C@@]5(C)CC[C@@]34C)C(=O)O - - - - inhibitor 16757876 CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@@]4(C)C3CC[C@]12C - - - - inhibitor 16757881 CCOC(=O)CCC(=O)O[C@H]1C(O[C@@H]2C(C)[C@H](O[C@H]3C[C@@](C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)[C@@](C)(O)C(O)[C@H](C)C(=O)C(C)C[C@]2(C)O)OC(C)CC1N(C)C - - - - inhibitor 16757887 COc1cc(cc(OC)c1OC)C2C3[C@H](COC3=O)C(O)c4cc5OCOc5cc24 - - - - inhibitor 16757906 CC1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)C(O)C[C@]2(C)C1(OC(=O)c5occc5)C(=O)CCl - - - - inhibitor 16757919 CC(=O)OC1C[C@@]2(C)C(OC(=O)C3O[C@]23[C@]4(C)C(CC5C(C)(C)C(CC(OC(=O)C)[C@@]5(C)C14)OC(=O)C)OC(=O)C)c6cocc6 - - - - inhibitor 16757922 COC(=O)CC1C(C)(C)C(=O)C2CC3C(CC[C@@]4(C)C(OC(=O)C=C34)c5cocc5)[C@@]1(C)C2=O - - - - inhibitor 16757924 CC1(C)C2CC(O)[C@]3(C)C(CC[C@@]4(C)C(OC(=O)C5O[C@]345)c6cocc6)[C@@]2(C)C=CC1=O - - - - inhibitor 16757925 CC(=O)OC1CC(OC(=O)C)[C@@]2(C)C3CC[C@@]4(C)C(OC(=O)C5O[C@]45[C@]3(C)C(O)CC2C1(C)C)c6cocc6 - - - - inhibitor 16757926 COC(=O)CC1C(C)(C)C(=O)C=C[C@@]1(C)C2CC[C@@]3(C)C(OC(=O)C=C3C2=C)c4cocc4 - - - - inhibitor 16757928 CC1(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)C(OC(=O)C5O[C@]345)c6cocc6)[C@]2(C)C=CC1=O - - - - inhibitor 16757929 CC(=O)OC1CC(OC(=O)C)[C@@]2(C)C3CC[C@@]4(C)C(OC(=O)C5O[C@]45[C@]3(C)C(=O)CC2C1(C)C)c6cocc6 - - - - inhibitor 16757930 CC(=O)OC1CC(OC(=O)C)[C@@]2(C)C3CC[C@@]4(C)C(C(=O)C5O[C@]45[C@]3(C)C(CC2C1(C)C)OC(=O)C)c6cocc6 - - - - inhibitor 16757931 CCC(C)C(=O)OC1C2CC3=C4CC(=O)OC(c5cocc5)[C@]4(C)CCC3[C@](C)(C(CC(=O)OC)C1(C)C)C2=O - - - - inhibitor 16757932 COC(=O)CC1C(C)(C)C(=O)CC2O[C@@]34CC(=O)OC(c5cocc5)[C@]3(C)CCC(C4=C)[C@]12C - - - - inhibitor 16757933 COC(=O)C(OC(=O)C)C1C(C)(C)C(=O)CC2O[C@@]34CC(=O)OC(c5cocc5)[C@]3(C)CCC(C4=C)[C@@]12C - - - - inhibitor 16757934 COC(=O)C(O)C1C(C)(C)C(=O)CC2O[C@@]34CC(=O)OC(c5cocc5)[C@]3(C)CCC(C4=C)[C@]12C - - - - inhibitor 16757935 COC(=O)CC1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O - - - - inhibitor 16757937 CCC(C)C(OC(=O)C)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3cocc3)[C@@]12C)[C@@]4(C)C(CC(=O)O[C@@](C)(COC(=O)C)C4CC(=O)OC)OC(=O)C - - - - inhibitor 16757938 COC(=O)C(O)C1C(C)(C)C(OC(=O)\C(=C\C)\C)[C@@H]2C=C3C(CC[C@]4(C)C3CC(=O)OC4c5cocc5)[C@@]1(C)C2=O - - - - inhibitor 16757939 CCC(C)C(=O)O[C@@H]1C[C@@]2(C)C(OC(=O)CC23OC4(C)O[C@@]15[C@@]6(C)C(CC(=O)OC)C7(C)CC6(O)[C@@](O)(C7OC(=O)C8(C)OC8C)C(OC(=O)C)[C@@]35O4)c9cocc9 - - - - inhibitor 16757943 COC(=O)C(O)C1C(C)(C)C(OC(=O)C)C2CC3=C4CC(=O)OC(c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O - - - - inhibitor 16757944 COC(=O)CC1C(C)(C)C(O)CC2O[C@@]34CC(=O)OC(c5cocc5)[C@]3(C)CCC(C4=C)[C@@]12C - - - - inhibitor 16757949 CC(=O)OC1CC(OC(=O)C)[C@@]2(C)C3CC[C@@]4(C)C(OC(=O)C=C4[C@]3(C)C(CC2C1(C)C)OC(=O)C)c5cocc5 - - - - inhibitor 16757950 CC1(C)C2C=C[C@@]3(C)C(CC[C@@]4(C)C(OC(=O)C5OC345)c6cocc6)[C@@]2(C)C=CC1=O - - - - inhibitor 16757951 CC(=O)OC1CC(OC(=O)C)[C@]2(C)C(CC(OC(=O)C)[C@]3(C)C2CC[C@@]4(C)C(OC(=O)C5O[C@]345)c6cocc6)C1(C)C - - - - inhibitor 16757956 CC(=O)OC1CC2C(C)(C)C(OC(=O)C)C=C[C@@]2(C)C3CC[C@@]4(C)C(OC(=O)C=C4[C@]13C)c5cocc5 - - - - inhibitor 16757957 CC(=O)OC1CC[C@@]2(C)C3CC[C@@]4(C)C(OC(=O)C=C4[C@]3(C)C(CC2C1(C)C)OC(=O)C)c5cocc5 - - - - inhibitor 16757958 COC(=O)CC1C(C)(C)C(O)C2CC3=C4C=C(OC)OC(c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O - - - - inhibitor 16757972 CC1(C)C(O)CC(O)[C@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)C(OC(=O)C5OC345)c6cocc6 - - - - inhibitor 16757974 COC(=O)CC1C(C)(C)C(O)C2CC3=C4CC(O)OC(c5cocc5)[C@]4(C)CCC3[C@@]1(C)C2=O - - - - inhibitor 16757976 CC1(C)C=CC(=O)[C@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)C(OC(=O)C5OC345)c6cocc6 - - - - inhibitor 16757978 CC(=O)OC1CC2C(C)(C)C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(OC(=O)C=C4[C@]13C)c5cocc5 - - - - inhibitor 16757979 CC(=O)OC1CC2C(C)(C)C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(OC(=O)C=C4[C@]13C)c5cocc5 - - - - inhibitor 16757982 CC1(C)C2CC(O)[C@]3(C)C(CC[C@@]4(C)C(OC(=O)C=C34)c5cocc5)[C@@]2(C)CCC1=O - - - - inhibitor 16757983 COC(=O)CC1C(C)(C)C(OC(=O)C)C2CC3C(CC[C@]4(C)C3CC(=O)OC4c5cocc5)[C@@]1(C)C2=O - - - - inhibitor 16757986 CCC(C)C(=O)OC1C[C@@]2(C)C(OC(=O)CC23OC4(C)OC15[C@@]6(C)C(CC(=O)OC)[C@@]7(C)CC6(O)[C@@](O)(C7OC(=O)C8(C)OC8C)C(OC(=O)C(C)C)C35O4)c9cocc9 - - - - inhibitor 16757993 CC1(C)C(O)CC(O)[C@]2(C)C1CC(O)[C@]3(C)C2CC[C@@]4(C)C(OC(=O)C5O[C@]345)c6cocc6 - - - - inhibitor 16757996 Cc1ccc2c(CC[C@H]3CC(=O)CC[C@@]23C)c1 - - - - inhibitor 16757997 COC(=O)[C@@]1(C)CCC[C@]2(C)C1CCc3c(C(C)C)c(O)ccc23 - - - - inhibitor 16757999 COC(=O)C1OC(=O)C2OC23[C@@]1(C)CCC4[C@]5(C)C(CC(OC(=O)C)C(C)(C)C5CC(O)[C@@]34C)OC(=O)C - - - - inhibitor 16758000 COC(=O)CC1C(C)(C)C(CC2O[C@@]34CC(=O)OC(c5cocc5)[C@]3(C)CCC(C4=C)[C@@]12C)OC(=O)C - - - - inhibitor 16758016 CC(=O)OC1CC2C(C)(C)C(O)CC(O)[C@@]2(C)C3CC[C@]4(C)C(OC(=O)C=C4[C@]13C)c5cocc5 - - - - inhibitor 16758017 COc1ccc2C(=O)[C@@H]3C(COc4cc(OC)c(OC)cc34)Oc2c1CC=C(C)C - - - - inhibitor 16758023 CC1=CC(=O)C2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCc3cocc3 - - - - inhibitor 16758026 C[C@@](O)(CCC1C(=C)CC(O)C2C(C)(C)CCCC12C)C=C - - - - inhibitor 16758027 CC(=O)OC1CC(=C)C(CC[C@@](C)(O)C=C)C2(C)CCCC(C)(C)C12 - - - - inhibitor 16758028 C[C@@](O)(CCC1C(=C)CCC2[C@@](C)(CO)CCC[C@@]12C)C=C - - - - inhibitor 16758030 CC(=O)OC1CCC(=C)[C@@H]2CC(C)(C)C2C\C=C\1/C - - - - inhibitor 16758035 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3O[C@]45C6CC(C=C4C(=O)c3c(OC(=O)C)c2C=C1)C(=O)C5(C\C=C(/C)\C(=O)O)OC6(C)C)C - - - - inhibitor 16758039 CC1CC[C@]2(CCC3(C)C(=CC(=O)C4[C@]5(C)CCC(OC(=O)C)C(C)(C)C5CC[C@]34C)C2C1C)C(=O)O - - - - inhibitor 16758063 CC(C)c1ccc2c(CCC3C4=C(CC[C@]23C)C(=O)OC4)c1O - - - - inhibitor 16758075 COc1cc(cc(OC)c1OC)C2C3[C@H](COC3=O)C(OC(=O)C)c4cc5OCOc5cc24 - - - - inhibitor 16758076 CC(C)C(C)\C=C\C(C)C1CCC2C3=CCC4CC(=O)CC[C@@]4(C)C3CC[C@@]12C - - - - inhibitor 16758077 CC1(C)OC2CC(=O)OC[C@]23C4CC[C@@]5(C)C(OC(=O)C6O[C@]56[C@]4(C)C(=O)CC13)c7cocc7 - - - - inhibitor 16758081 COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)C - - - - inhibitor 16758084 CC(=O)OC1CC2C(C)(C)C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(OC(=O)C5OC45[C@]13C)c6cocc6 - - - - inhibitor 16758087 CC1(C)C2CC(O)[C@]3(C)C(CC[C@@]4(C)C(OC(=O)C5OC345)c6cocc6)[C@@]2(C)C7O[C@H]7C1=O - - - - inhibitor 16758103 CC(=O)OC1CC(O)C(C)(C)C2CC(OC(=O)C)[C@]3(C)C(CC[C@@]4(C)C(OC(=O)C5OC345)c6cocc6)[C@]12C - - - - inhibitor 16758107 COc1cccc2c1CCC3CC(=O)CC[C@@]23C - - - - inhibitor 16758108 COc1ccc2CC[C@@H]3CC(=O)CC[C@@]3(C)c2c1 - - - - inhibitor 16758111 CCC1CCC2O[C@]3(CCC(C)C(CC(C)O)O3)C(C)[C@@H](OC(=O)\C=C\C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C(=O)[C@](C)(O)C(O)C(C)C\C=C\C=C\1)C2C - - - - inhibitor 16758112 CC(CCC=C(C)C)C1CC[C@@]2(C)C3=C(CC[C@@]12C)C4(C)CCC(O)C(C)(C)C4CC3 - - - - inhibitor 16758117 CC(=O)OC1CC[C@]2(C)[C@@H](CCC3C4CC=C(C(=O)C)[C@@]4(C)C(=O)CC23)C1 - - - - inhibitor 16758123 C1Oc2ccc(cc2O1)C3OCC4[C@@H]3COC4c5ccc6OCOc6c5 - - - - inhibitor 16758126 COC(=O)CC1C(C)(C)C(=O)C=CC1(C)C2CC[C@@]3(C)C(OC(=O)C4OC34C2=C)c5cocc5 - - - - inhibitor 16758133 CCCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)[C@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O - - - - inhibitor 16758143 CC(=O)OC1CC2C(C)(C)C(O)CC[C@@]2(C)C3CC[C@@]4(C)C(OC(=O)C5OC45[C@]13C)c6cocc6 - - - - inhibitor 16758150 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC[C@H]4CC(O)CC[C@@]4(C)C3C(=O)C[C@@]12C - - - - inhibitor 16758152 CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)[C@H]12 - - - - inhibitor 16758158 COC(=O)CC1C(C)(C)C(=O)C2CC3=C(CC[C@@]4(C)C(OC(=O)C=C34)c5cocc5)[C@@]1(C)C2=O - - - - inhibitor 16758159 CC(=O)OC1CC2C(C)(C)C(O)CC[C@@]2(C)C3CC[C@@]4(C)C(OC(=O)C5O[C@]45[C@]13C)c6cocc6 - - - - inhibitor 16758167 CC(C)c1cc2CCC3C(C)(C)CCC[C@@]3(C(=O)O)c2c(O)c1O - - - - inhibitor 16758173 CC(=O)OC1C[C@@]2(C)C(CCC2C(=O)C)C3CCC4=CC(=O)CC[C@@]4(C)C13 - - - - inhibitor 16758645 O[C@@H]1C\C(=N\OCc2ccccc2)\[C@@H]3CC[C@H]4[C@H]([C@H]3[C@@H]1O)C(=O)N(Cc5ccc6OCOc6c5)C4=O - - non-inhibitor - inhibitor 16758648 O[C@@H]1C\C(=N\OCCCC#C)\[C@@H]2CC[C@H]3[C@H]([C@H]2[C@@H]1O)C(=O)N(Cc4ccc5OCOc5c4)C3=O - - non-inhibitor - inhibitor 16758837 COc1ccc(OC2C=CC(OC2CO)c3ccccc3)cc1 - - non-inhibitor - inhibitor 16758950 COc1ccc(OC2C=CC(CC=C)OC2COC(=O)c3ccc(Br)cc3)cc1 - inhibitor - - inhibitor 16758977 COc1cccc(\C=C\C(O)C(=C)C)c1 - inhibitor - - inhibitor 16758985 COc1ccc(\C=C\N(CCc2ccc(OC)c(OC)c2)C(=O)C(F)(F)F)cc1 - inhibitor - - inhibitor 16759002 COC(=O)NC(C(C(=O)C)C(=O)OC)c1occc1 - - - - inhibitor 16759036 CCCCCCCC1=Cc2ccccc2C(CC(=O)C)N1C(=O)OC - inhibitor - - non-inhibitor 16759037 COC(=O)NC(\C(=C(/C)\NCc1ccccc1)\C(=O)OC)c2ccc(Cl)cc2 - inhibitor - - non-inhibitor 16759047 Cc1ccc(\C=C\C2=CC3(C)CC2(C)C(CC3=O)c4ccc(C)cc4)cc1 - - - non-inhibitor inhibitor 16759056 COC(CC\C=C(/C)\C(=O)N)C(OCc1ccc(OC)cc1)\C(=C/CCCC=C)\C - - non-inhibitor - inhibitor 16759071 CCCCCCC#Cc1cc(OC)c(OC)cc1C(N2CC(C)c3ccccc23)N4CC(C)c5ccccc45 - - - - inhibitor 16759079 COc1ccc(\C=C\C(O)C(=C)C)cc1 - - - non-inhibitor inhibitor 16759110 CC(=O)OCC1OC(C=CC1OC(=O)C)C#Cc2ccc(C)cc2C - - - inhibitor inhibitor 16759147 CC(C)(C)c1cc(\C=C(\C#N)/[N+]#[C-])cc(c1O)C(C)(C)C - - - - inhibitor 16759247 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O - - - - inhibitor 16759256 NC1=NC(=O)c2nc(Sc3ccc(Cl)cc3)n(C4OC(CO)C(O)C4O)c2N1 - - - - inhibitor 16759257 C[C@@H]1[C@H]2[C@@H](C3C[C@@H]4[C@H]([C@@H]5C3=C1C(=O)N6C(=O)OC(=NCCc7c[nH]c8ccccc78)[C@]56Cc9ccccc9)C(=O)N(C4=O)c%10ccccc%10)C(=O)N(C2=O)c%11ccccc%11 - - - - inhibitor 16759258 CCN1C(=O)[C@@H]2CC3[C@@H]4[C@H]([C@@H](C)C5=C3[C@@H]([C@@H]2C1=O)[C@]6(C)N(C(=O)OC6=NCC7CC7)C5=O)C(=O)N(CC)C4=O - - - - inhibitor 16759259 COCCN=C1OC(=O)N2C(=O)C3=C4C(C[C@@H]5[C@H]([C@H]4[C@@]12Cc6ccccc6)C(=O)N(CC(=O)OC)C5=O)[C@@H]7[C@H]([C@H]3C)C(=O)N(CC(=O)OC)C7=O - - - - inhibitor 16759260 COCCN=C1OC(=O)N2C(=O)C3=C4C(C[C@@H]5[C@H]([C@H]4[C@@]12Cc6ccccc6)C(=O)N(C5=O)c7ccccc7)[C@@H]8[C@H]([C@H]3C)C(=O)N(C8=O)c9ccccc9 - - - - inhibitor 16759262 C[C@]12CCCC(=C)[C@@H]1CC3C(C2)OC(=O)C3=C - - - - inhibitor 16759263 CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(=O)C)C3CC(=O)[C@@]2(O)C1 - - - - inhibitor 16759276 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(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 - - - - inhibitor 16759289 CN(C)C1[C@@H]2CC3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(\N)/O)\C1=O - - - - inhibitor 16759291 CC(=C)[C@@H]1[C@H]2OC(=O)C1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@]35C - - - - inhibitor 16759295 CC(C)C1N2C(=O)[C@@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C7CCCN7C1=O)C(C)C - - - - inhibitor 16759296 CC(C)[C@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)C7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O - - - - inhibitor 16759300 CCC(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)C12 - - - - inhibitor 16759307 CN1C[C@H](C=C2[C@@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@@]5(C)O[C@]6(O)C7CCCN7C(=O)[C@@H](Cc8ccccc8)N6C5=O - - - - inhibitor 17384872 C[C@H]([C@@H]1C[C@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4cc(C)n(C)n4 - inhibitor - - inhibitor 17384877 C[C@H]([C@@H]1C[C@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)N[C@@H](CO)Cc4ccccc4 - - - - inhibitor 17384880 C[C@H]([C@H]1C[C@@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccc(cc4)S(=O)(=O)C - inhibitor - - inhibitor 17384890 C[C@H]([C@@H]1C[C@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3)C(=O)NCc4ccccn4 - inhibitor - - inhibitor 17384909 C[C@H](CO)NC(=O)[C@H](C)[C@@H]1C[C@]1(C)[C@@H](NC(=O)OCc2ccccc2)c3ccccc3 - - - - inhibitor 17384942 COC(=O)[C@@H]1C[C@@H]1[C@@H](NC(=O)c2cc(C)nn2C)c3ccccc3 - - non-inhibitor - inhibitor 17384943 COC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)c2cc(C)nn2C)c3ccccc3 inhibitor - - - inhibitor 17384969 C[C@H]([C@H]1C[C@@]1(C)[C@@H](N)c2ccccc2)C(=O)Nc3ccc4ccccc4c3 - non-inhibitor - - inhibitor 17384992 C[C@H]([C@@H]1C[C@]1(C)[C@@H](NC(=O)c2ccncc2Cl)c3ccccc3)C(=O)Nc4ccc5ccccc5c4 - non-inhibitor - - inhibitor 17385013 CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c2ccccc2)c3ccccc3)C4(CC(=C)c5cccc(OC)c5)CC4 inhibitor - - - inhibitor 17385059 CCCC[C@@H]1C[C@@H]1[C@@H](NC(=O)c2occc2)c3ccc(cc3)c4ccccc4 inhibitor - inhibitor - - 17385082 CCC\C=C(\CCC)/[C@@H](NS(=O)(=O)C)c1ccccc1 - inhibitor non-inhibitor - - 17385094 CCC[C@@H]1C[C@]1(CCC)[C@@H](NP(=O)(c2ccccc2)c3ccccc3)c4ccc(Cl)cc4 - - - inhibitor inhibitor 17385100 CCC\C=C(\CCC)/[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccc(cc3)C(F)(F)F non-inhibitor - - - inhibitor 17385106 CCCC[C@@H]1C[C@@H]1[C@@H](NC(=O)c2occc2)c3ccccc3 inhibitor inhibitor - - - 17385113 CCCC\C=C/[C@H](NC(=O)c1occc1)c2ccccc2 inhibitor - - - inhibitor 17385120 CCC\C=C(\CCC)/[C@@H](NC(=O)OCC(C)C)c1ccc(cc1)C(=O)OC - - inhibitor non-inhibitor - 17385121 CCC\C=C(\CCC)/[C@@H](NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3 - - - - inhibitor 17385128 CCC[C@@H]1C[C@]1(CCC)[C@@H](NC(=O)c2occc2)c3ccc(Cl)cc3 - inhibitor - inhibitor - 17385139 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(O)c(O)c7 - - - - inhibitor 17385141 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccccn6 non-inhibitor - - - inhibitor 17385152 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7nc8ccccc8[nH]7 - - - non-inhibitor inhibitor 17385182 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO - - - - inhibitor 17385185 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6CO non-inhibitor - - - inhibitor 17385205 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)CC(=O)[C@H]3CC(=O)C(=O)N5CCCC5 - - - non-inhibitor inhibitor 17385218 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCCNc6ccc(cc6Cl)C(F)(F)F non-inhibitor - - - inhibitor 17385224 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7c[nH]c8ccc(OC)cc78 - - inhibitor - inhibitor 17385240 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCc6ccc(O)c(O)c6 - - - - inhibitor 17385241 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(nc6)C(F)(F)F non-inhibitor - - - inhibitor 17385249 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(OC)c(OC)c6 - - - - inhibitor 17385253 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(nc6)C(F)(F)F - - - non-inhibitor inhibitor 17385255 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(C)c(F)c6F non-inhibitor - - - inhibitor 17385260 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(O)c(OC)c6 - - inhibitor - inhibitor 17385261 COC(=O)[C@@]1(Cc2ccccc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C - - - non-inhibitor inhibitor 17385262 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O - - inhibitor - inhibitor 17385264 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6c(O)c(C)cnc6CO - - inhibitor - inhibitor 17385268 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7ccc(cc7)S(=O)(=O)C - non-inhibitor - - inhibitor 17385269 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6cc(C)n(C)n6 - - - - inhibitor 17385272 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5Cc7c(O)c(C)cnc7CO - - inhibitor - inhibitor 17385273 COC(=O)Cn1c2C[C@@H]3CN(C(=O)c4ccccc4)[C@](Cc5ccc(F)cc5)([C@@H]3c2cc1C(=O)N(C)C)C(=O)OC - - - non-inhibitor inhibitor 17385274 COC(=O)[C@@]1(Cc2ccccc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCN6CNCC6=O - - - non-inhibitor inhibitor 17385279 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCSCCO - - - non-inhibitor inhibitor 17385282 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5C - - - non-inhibitor inhibitor 17385284 COC(=O)[C@@]1(Cc2ccccc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCN7CNCC7=O - - inhibitor - inhibitor 17385287 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5Cc6ccc(cc6)S(=O)(=O)C - - - - inhibitor 17385288 COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]3C(=CC(=O)C3=C)CN1C(=O)c4ccccc4 - - inhibitor - inhibitor 17385295 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N6CCCC6)n5CCc7ccc(O)c(O)c7 - - inhibitor - inhibitor 17385297 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]3[C@@H](CN1C(=O)c4ccccc4)Cc5c3cc(C(=O)N(C)C)n5CCO - - - - inhibitor 17385300 COC(=O)[C@@]1(Cc2ccccc2)NCC3=C(C(C)C)C(=O)[C@H](C)C3=C1 - - - - inhibitor 17385304 CC1=C([C@@H](NC(=O)N1CCCCCC(=O)O)c2ccc3ccccc3c2)C(=O)OCc4ccccc4 - - inhibitor - inhibitor 17385305 CC1=C([C@@H](NC(=O)N1CCCCCC(=O)O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCc3ccccc3 - non-inhibitor - - inhibitor 17385312 CCCCCC1=C2CN[C@@](Cc3ccccc3)(C=C2[C@@H](C)C1=O)C(=O)OC - inhibitor inhibitor - - 17385313 CCCc1cc2[C@H]3[C@@H](CN(C(=O)c4ccccc4)[C@@]3(C)C(=O)OC)[C@@H](C)c2n1Cc5ccc(OC)cc5 - inhibitor - - inhibitor 17385321 CC1=C([C@@H](NC(=O)N1CCCCCC(=O)O)c2ccc(Cl)cc2)C(=O)OCc3ccccc3 - - - non-inhibitor inhibitor 17385325 CCCc1cc2[C@@H]3[C@H](CN(C(=O)c4ccccc4)[C@]3(C)C(=O)OC)[C@H](C)c2n1Cc5cccc(Cl)c5 - - inhibitor - inhibitor 17385329 COC(=O)[C@@]1(CC(C)C)NCC2=C(C(=O)[C@H](C)C2=C1)c3ccccc3 - - inhibitor non-inhibitor - 17385333 CCCCCC1=C2CN[C@@](CCC)(C=C2[C@@H](C)C1=O)C(=O)OC - - inhibitor - - 17385338 COC(=O)[C@@]1(Cc2ccccc2)NCC3=C(C)C(=O)[C@H](C)C3=C1 inhibitor - non-inhibitor - - 17385340 CC[C@@H]1[C@H](CO)[C@H](CO)[C@H]2CC[C@@H]3[C@@H](OC)OC[C@@]4(C)[C@@H]3C2=C1CN4C(=O)OC(C)(C)C - - - non-inhibitor inhibitor 17386002 CCOc1cc(\C=C\2/CCC\C(=C/c3cc(Cl)c(O)c(OCC)c3)\C2=O)cc(Cl)c1O inhibitor - - - non-inhibitor 17386655 CC\N=C\1/C=CC(=CC(=C1O)C(=O)\C=C\c2ccc3OCOc3c2)Br - inhibitor - inhibitor - 17387462 CC(C)c1ccc(\C=N\NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)C)cc1 - - inhibitor - - 17387466 COC(=O)CCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl - inhibitor - non-inhibitor - 17387490 CCOc1nnc(C)c2c(C)n(nc12)c3ccc(Cl)cc3 inhibitor - - - non-inhibitor 17387500 Cc1oc(\C=N\NC(=O)C2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 non-inhibitor - - - inhibitor 17387505 CCCN1\C(=N\c2ccc(OC)cc2)\S\C(=C/c3ccc(C)s3)\C1=O - - inhibitor non-inhibitor - 17387518 COc1ccc(cc1)n2nnnc2\C=C/Nc3ccccc3C(=O)c4ccccc4 - inhibitor - - non-inhibitor 17387532 C=CCSC1=NN2C(=Nc3ccccc3C2=O)S1 inhibitor - - - - 17387535 CCOC(=O)c1cnn(c1NC(=O)C2CCC2)c3ccc(cc3)C(C)C - inhibitor - inhibitor - 17387537 Cc1ccccc1C(=O)NC(NCc2occc2)C(Cl)(Cl)Cl - - inhibitor non-inhibitor - 17387540 O=C(NC1CCCCCC1)\C(=C\c2c[nH]nc2c3ccccc3)\C#N - - - - inhibitor 17387550 COc1ccc(\C=N\NC(=O)CCCC(=O)NC2CCCCC2)cc1 - - inhibitor non-inhibitor - 17387585 CC(C)(C)N(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c2ccccc2 - inhibitor inhibitor - - 17387639 COc1cc(OC)nc(Oc2ccccc2C(=O)Oc3ccc(C)cc3)n1 - inhibitor - non-inhibitor - 17387661 COC(=O)c1ccccc1OCC(=O)N2CCN(CC2)c3ccc(Cl)cc3 - inhibitor - non-inhibitor - 17387674 COc1ccc(OC)c(\C=N\NC(=O)c2csc3ccccc23)c1 inhibitor - - - non-inhibitor 17387708 Clc1ncn(n1)C23CC4CC(CC(C4)(C2)C(=O)NC56CC7CC(CC(C7)C5)C6)C3 non-inhibitor inhibitor - - - 17387745 CC\C(=N/Nc1ccccc1)\c2cnnc(SC)n2 inhibitor - inhibitor - - 17387772 CC(C)(C)c1ccc(cc1)C2CC2C(=O)N\N=C\c3cc4ccccc4nc3Cl - - inhibitor non-inhibitor - 17387775 Cc1scc(C(=O)N\N=C(/S)\NCC2CCCO2)c1C - inhibitor - - non-inhibitor 17387799 O=C(NC1CCCCC1)C23CC4CC(C2)CC(C4)(C3)n5cncn5 - - inhibitor - inhibitor 17387829 COc1ccc(cc1)C(=O)NC(C)c2cc(OC)c(OC)cc2Br - - - - inhibitor 17387831 CC(N1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)C(=O)Nc4ccc(C)cc4 - - - non-inhibitor inhibitor 17387888 CCCCC(=O)NC(=S)Nc1cccc(NC(=O)CC)c1 - inhibitor - non-inhibitor - 17387903 CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)NCc3ccccc3 non-inhibitor - - - inhibitor 17387962 CC(C)CC\N=C(/S)\NC1CCCC1 - inhibitor - - - 17387993 Clc1cccc(OCc2cccc(c2)C(=O)NCc3ccccc3)c1 - inhibitor - - non-inhibitor 17388318 Cc1cccc(Nc2ccccc2C(=O)OCC(=O)NCc3occc3)c1C - inhibitor - - - 17388601 CC1=NN(C(=O)C1C(c2cccc(O)c2)c3c(C)nn(c3O)c4ccc(F)cc4)c5ccc(F)cc5 - - inhibitor - non-inhibitor 17388606 O=S(=O)(N1CCCCC1)c2cnccc2N3CCN(CC3)\N=C\c4ccccc4 non-inhibitor - - - inhibitor 17401113 COc1ccc(\C=C\2/N=C(SC)N(C)C2=O)cc1 inhibitor - - non-inhibitor - 17401146 Cc1c(C)n(C)c2ccc(cc12)C(=O)Nc3cccc4ccccc34 inhibitor inhibitor - - - 17401148 Cc1ccc(\C=N\NC(=O)CSc2nnc(COc3ccccc3)n2CC=C)cc1 inhibitor - - - inhibitor 17401149 COc1ccccc1NCc2nnc(SCC(=O)N\N=C\c3occc3)n2c4ccc(Cl)cc4Cl - inhibitor - - inhibitor 17401155 CCCC\N=C(/S)\NNC(=O)c1csc2CC(C)CCc12 - inhibitor - - - 17401159 CCOc1ccc(OCCOCCN2CCc3ccccc3C2)cc1 - - - inhibitor - 17401166 Cc1c(cnn1C)c2c3CCCCCCc3nc(N)c2C#N - - - - inhibitor 17401170 CCC1(C)Cc2c(CO1)sc3N=NN(CC(=O)Nc4cccc5ccccc45)C(=O)c23 - - inhibitor - inhibitor 17401206 CSc1ccc(CNc2ccc(C)c(C)c2)cc1 inhibitor inhibitor - - - 17401248 Cc1cccc(C)c1n2nnnc2C(C)(C)\N=C\c3ccc(Cl)cc3 non-inhibitor inhibitor - - - 17401306 Cc1cccc(N\C(=N\S(=O)(=O)c2ccccc2)\C(F)(F)F)c1 - - inhibitor non-inhibitor - 17401317 CCN(CC)C(=O)C1CCCN(C1)c2ccc(cc2\C=N\NC(=O)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-] - - - non-inhibitor inhibitor 17401351 Cc1ccc(OCCNC(=O)c2cncc(Br)c2)cc1C - inhibitor - - inhibitor 17401377 CC1(C)C2(C)CCC1(C2Br)C(=O)Nc3cccc4ccccc34 - inhibitor inhibitor - - 17401382 CCC1(C)Cc2c(CO1)sc3N=NN(CC(=O)Nc4ccc(C)cc4)C(=O)c23 - inhibitor - - - 17401417 COc1cccc(c1)C(=O)N\N=C\c2c[nH]nc2c3ccc(OC)cc3OC - - - non-inhibitor inhibitor 17401420 CCCOC(=O)c1c(C)c(sc1NC(=O)\C=C\c2cnn(C)c2C)C(=O)OCC - inhibitor - non-inhibitor - 17401421 CCc1ccccc1NC(=O)C2C(c3ccccc3)C2(Cl)Cl - inhibitor - - - 17401422 Cc1cccc(NC(=O)C23CCC(C)(C2Br)C3(C)C)c1 - inhibitor - - - 17401428 CSc1ccc(CNc2ccccc2)cc1 - inhibitor - non-inhibitor - 17401456 CCOc1ccc(cc1)C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2 inhibitor inhibitor - - - 17401474 Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c3cnn4c(cc(nc34)c5ccccc5)C(F)F - inhibitor inhibitor - - 17401487 CCN1C(=S)N(CC(=O)Nc2cc(Cl)ccc2Cl)N=C1c3ccccc3Cl - inhibitor - - inhibitor 17401866 Cc1ccc(cc1)C2=NN(CC(=O)NCc3occc3)C(=O)C=C2 - inhibitor inhibitor - - 17401917 CCO\C(=C/1\C(C(=C(SCC(=O)N)N=C1C)C#N)c2ccccc2)\O - inhibitor - non-inhibitor - 17401981 NC1=CC(=O)N=C(SCC(=O)Nc2cccc3ccccc23)N1CCc4ccccc4 - - - non-inhibitor inhibitor 17401982 CCOC(=O)c1nnn(c2nc(OC)nc(n2)N3CCCCC3)c1c4ccccc4 - inhibitor - - - 17402043 CN1C(=O)\C(=C/c2ccccc2)\Sc3ccc(cc13)C(=O)N4CCN(CC4)c5ccccn5 - inhibitor - non-inhibitor - 17402106 COc1cccc2[C@@H]([C@H](CO)COc12)N(C)C(=O)Nc3ccc(Cl)cc3Cl non-inhibitor - - inhibitor - 17402107 Fc1ccc(Cn2c(SCc3ccc(F)c(F)c3)nnc2C(F)(F)F)cc1 - inhibitor - - - 17402111 CCOC(=O)CSc1n[nH]c(NC(=O)c2cccc(C)c2)n1 - inhibitor - - inhibitor 17402213 Cn1nc(c2ccccc2)c3cc(sc13)c4nnc(SCC=C)n4C inhibitor - - - inhibitor 17402218 CC(C)(C)c1cc2cccnc2n1Cc3cccc(F)c3 - - non-inhibitor inhibitor - 17402222 COc1cnc(SCc2ccc(Cl)cc2)nc1Cl - inhibitor - - non-inhibitor 17402227 COc1cnc(nc1Oc2ccc(Cl)c3ccccc23)c4ccccn4 inhibitor - - non-inhibitor - 17402247 CC1(C)CN(N(C(=O)c2ccc(F)cc2)C1=O)c3ccccc3 - inhibitor - non-inhibitor - 17402257 COc1cccc(CSc2nnc(n2Cc3ccc(F)cc3)C(F)(F)F)c1 - inhibitor - inhibitor - 17402262 CCC(C)Nc1c(cc(C)cc1[N+](=O)[O-])[N+](=O)[O-] inhibitor inhibitor - - - 17402301 [O-][N+](=O)c1cccnc1NCCNc2ncc(cc2Cl)C(F)(F)F inhibitor inhibitor - - - 17402384 CCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)c(Cl)c1Cl - - inhibitor - inhibitor 17402394 CSc1ccc(cc1NC(=O)c2cccc(Cl)c2)C#N inhibitor - - inhibitor - 17402398 [O-][N+](=O)c1cc(\C=N\OC(=O)c2c(F)cccc2F)ccc1N3CCCCC3 inhibitor - - non-inhibitor - 17402449 COC(=O)c1cc(C#N)c(Oc2ccc(OC)cc2)nc1C inhibitor - - - - 17402497 NC(=N)Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1 - inhibitor - - non-inhibitor 17402506 COc1cc(c(Cl)cc1Cl)n2ccnc2SC - inhibitor - non-inhibitor - 17402526 COc1ccc(cc1)c2cc([nH]n2)C3CCN(CC3)c4cc(Cl)nc(N)n4 - inhibitor - non-inhibitor - 17402536 Nc1nc(Cl)cc(n1)N2CCC(CC2)c3cc([nH]n3)c4ccc(Cl)cc4Cl inhibitor inhibitor - - - 17402572 FC(F)(F)c1nc2ccccc2nc1N\N=C\c3ccccc3 inhibitor - - - - 17402586 CCCSc1nc(C)cc(C)c1S(=O)(=O)c2ccccc2C - inhibitor - - non-inhibitor 17402609 OC(CN(Cc1ccc(Cl)cc1)C(=O)Nc2cccc(c2)C(F)(F)F)C(F)(F)F - inhibitor inhibitor - - 17402620 Clc1ccc(cc1Cl)C(=O)NNC(=O)c2ccccc2n3cccc3 - inhibitor - - - 17402667 Cc1nc2ccccn2c1C(=O)CSc3ccccc3Cl inhibitor inhibitor - - - 17402698 Cc1ccc(CNC(=O)Cn2cncn2)cc1 - inhibitor non-inhibitor - - 17402700 Cc1cccc(Oc2ncc(cn2)c3ccc(Cl)cc3)c1C inhibitor - non-inhibitor - - 17402708 COc1ccc(\C=C\C(=O)c2cocc2)cc1 inhibitor - - - non-inhibitor 17402744 N\C(=N/c1cc2ccccc2c3ccccc13)\S inhibitor - inhibitor - - 17402794 Cc1cc(nc(n1)n2cccc2)c3cccs3 inhibitor inhibitor - - - 17402864 Clc1ccc(CSc2oc(nn2)C3=CC=CN(Cc4ccccc4)C3=O)c(Cl)c1 inhibitor inhibitor - - - 17402876 C\C(=N/OC(=O)NC1CCCCC1)\c2sc(nc2C)c3ccccc3 inhibitor inhibitor - - - 17402889 [O-][N+](=O)C1=CC(=CN(Cc2c(Cl)cccc2Cl)C1=O)C(F)(F)F - inhibitor - - - 17402893 Cc1cccc(NC(=O)c2ccc(CN3C=C(C=CC3=O)C(F)(F)F)cc2)c1 - - inhibitor - - 17402954 Clc1ccc(cc1)C(=O)Nc2ncc3CCc4ccccc4c3n2 inhibitor - - - inhibitor 17402959 Cn1nc(c(\C=N\OC(=O)c2ccc(Cl)cc2)c1Cl)C(F)(F)F - inhibitor - - non-inhibitor 17402992 CCn1c(SCc2cccc(Cl)c2)nnc1c3cnn(c4ccccc4)c3C(F)(F)F - inhibitor - non-inhibitor - 17403050 Nc1c(cnn1c2cccc(c2)[N+](=O)[O-])c3ccccc3 inhibitor - - non-inhibitor - 17403060 Cc1ccc(cc1)N2NC(=O)c3cccnc23 inhibitor - - - non-inhibitor 17403068 Clc1ccc(CSc2oc(nn2)C3=CC=CN(Cc4ccccc4)C3=O)cc1Cl non-inhibitor inhibitor - - - 17403185 COc1ccccc1OCC(=O)N\N=C\2/SCC(=O)N2Cc3ccccc3 inhibitor - - - inhibitor 17403206 Clc1ccc(NC(=O)CN(Cc2occc2)C(=O)c3ccccc3)cc1Cl - inhibitor inhibitor - - 17403265 [O-][N+](=O)c1cc(cc(c1Oc2ccc3C4=C(CCCC4)C(=O)Oc3c2)[N+](=O)[O-])C(F)(F)F inhibitor inhibitor - - - 17403270 O=C(COC(=O)c1cccc(n1)C(=O)OCC(=O)c2cccs2)c3cccs3 - - inhibitor inhibitor - 17403283 C\C(=C/c1occc1)\C=N\NC(=O)Cc2cccs2 - - inhibitor - non-inhibitor 17403312 COc1ccc(cc1)\C(=N\c2ccccc2)\S inhibitor inhibitor - - - 17403339 CCCCC(=O)NNC(=S)NC(=O)c1cccc(c1)[N+](=O)[O-] - - inhibitor non-inhibitor - 17403356 COc1ccccc1N2CCN(CC2)C(=O)\C=C\c3ccc4OCOc4c3 - - - - inhibitor 17403467 COc1ccc(COC(=O)N\N=C(/C)\CC(=O)Nc2c(C)cc(C)cc2C)cc1 - - - non-inhibitor inhibitor 17403475 COC(=O)c1ccc(N\C(=N\C2CCCCC2)\S)cc1 - inhibitor - - non-inhibitor 17403479 COc1ccc2[nH]c(Sc3c(nc(C)n3Cc4ccccc4)[N+](=O)[O-])nc2c1 - inhibitor - - - 17403487 Cn1c(SCC(=O)N\N=C\C=C/c2occc2)nc3ccccc13 inhibitor - - - non-inhibitor 17403587 COc1cc(\C=N\Nc2nc3ccccc3[nH]2)cc(OC)c1OC inhibitor - - - non-inhibitor 17403617 CCOc1ccc(N2C(=O)C3C4CCC(C=C4)C3C2=O)c(c1)[N+](=O)[O-] - inhibitor - - - 17403677 Cc1nn(c(C)c1\C=N\NC(=O)c2cc([nH]n2)c3ccc(Cl)s3)c4ccccc4 - inhibitor inhibitor - - 17406566 CCc1ccc(Nc2ncccc2C#N)cc1 inhibitor - - - - 17406574 Cc1ccc(cc1C)N2C(=S)NC(=O)\C(=C/N3CCN(CC3)C(=O)c4occc4)\C2=O non-inhibitor - - inhibitor - 17406577 Fc1ccc(cc1)c2csc(n2)N3CCC(C3)c4ccccc4 inhibitor - - non-inhibitor - 17406590 COc1cc(cc(OC)c1OC)c2oc(SCC3(OCCO3)c4ccc(Br)cc4)nn2 - inhibitor - - - 17406629 COC(=O)c1ccccc1\N=C\C2=C(O)c3c(C)nn(c3CC2)c4ccccn4 inhibitor inhibitor - - - 17406635 COc1ccc2Sc3ccccc3C(=O)c2c1OC inhibitor - - non-inhibitor - 17406641 COc1ccc(\C=C/2\SC(=NC2=O)N\N=C\3/CC4CCC3(C)C4(C)C)cc1 - - inhibitor non-inhibitor - 17406650 COc1ccc(\C=N\NC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)cc1C inhibitor inhibitor - - - 17406654 C=CCNC(=O)c1ccc2nc(c3ccccc3)c(nc2c1)c4ccccc4 - - - non-inhibitor inhibitor 17406659 CCCC\N=C(/S)\NNC(=O)CCn1nc(C)c(Br)c1C - - - non-inhibitor inhibitor 17406669 Cc1ccccc1C(=O)N\N=C\c2ccncc2 - - - - inhibitor 17406675 Cc1cccc(NC(=O)CCSc2nc(C)cc(C)n2)c1 - inhibitor - - - 17406699 CC1(C)SC(=S)N(NC(=O)Nc2ccccc2)C1N(O)C(=O)Nc3ccccc3 - - inhibitor - inhibitor 17406706 COc1ccccc1OCCN2C(=O)S\C(=C/c3occc3)\C2=O - inhibitor - - - 17406720 Cc1ccc(cc1)c2cc(C(=O)NN=C3CCCC3)c4ccccc4n2 - - - - inhibitor 17406721 CCCCCCCCSc1oc(CSc2nc3nc(C)cc(C)n3n2)nn1 - inhibitor - - - 17406734 CC(C)Sc1cc(nc(n1)c2ccc(Cl)cc2)N3CCOCC3 inhibitor - - non-inhibitor - 17406761 COc1ccc(cc1)C(=O)c2cnc3ccccc3c2c4ccccc4 - inhibitor inhibitor - - 17406779 COc1ccccc1\C=N\NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2 inhibitor - - - inhibitor 17406780 Brc1cccc(c1)C(=O)N\N=C\c2oc(Sc3ccccn3)cc2 - inhibitor inhibitor - - 17406790 CC1=Nc2sccc2C(=O)N1c3cccc(Cl)c3 - inhibitor - - non-inhibitor 17406820 Fc1ccc(NCc2ccccc2F)cc1Cl inhibitor inhibitor - - - 17406821 Clc1cccc(OP(=O)(Nc2ccccc2)Nc3ccccc3)c1 - inhibitor - - non-inhibitor 17406855 CC(NC(=O)c1oc(Cn2cc(cn2)[N+](=O)[O-])cc1)c3ccccc3 - - inhibitor non-inhibitor - 17406857 COC(=O)c1sccc1NC(=O)CSc2ccc(Cl)cc2 - inhibitor - - non-inhibitor 17406858 Cc1cccc(OCC(=O)NC(=S)N2CCCc3ccccc23)c1 - inhibitor - non-inhibitor - 17406866 Cc1ncsc1C(=O)N2N=C3C(CCC/C/3=C\c4ccccc4)C2c5ccccc5 - - inhibitor - inhibitor 17406868 CCC1=C(O)C=C(N(C1=O)c2ccccc2)c3cccnc3 - inhibitor - non-inhibitor - 17406931 Cc1ccc(OCCNC(=O)c2cc(ccc2Cl)n3cnnc3)cc1C - - - non-inhibitor inhibitor 17406951 CCCCN1C(=O)N(CC=C)C(=O)\C(=C/Nc2cccc(c2)[N+](=O)[O-])\C1=O inhibitor - - - non-inhibitor 17406957 o1c(\C=C\c2ccccc2)nnc1c3cccs3 inhibitor - - - non-inhibitor 17406974 Cn1c(N\N=C\c2c[nH]c3ccccc23)nc4ccccc14 inhibitor - - inhibitor - 17407010 Cc1ccc(C)c(N\C(=N\NC(=O)c2oc(Br)cc2)\S)c1 - - inhibitor non-inhibitor - 17407015 CCOc1c2ccc(cc2nn1CC)C(=O)N[C@H](C)C3CCCCC3 - - - inhibitor - 17407035 Cc1cc(nn1CC(=O)N\N=C(/S)\Nc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-] - - - non-inhibitor inhibitor 17407188 CCOc1c2ccc(cc2nn1CC)C(=O)NCc3ccc4OCOc4c3 inhibitor - - - non-inhibitor 17407246 [O-][N+](=O)c1ccccc1C2=NOC(C2)C(=O)NCc3ccccc3C(F)(F)F - inhibitor - non-inhibitor - 17407258 COc1ccc(cc1)C(=O)NC(=S)NNC(=O)CCc2ccccc2 - - inhibitor - - 17407320 C\C(=N/NC(=O)c1ccc(Cl)cc1)\c2ccc(Br)s2 inhibitor - - non-inhibitor - 17407462 Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2 non-inhibitor - inhibitor - - 17407514 O=C(OCc1nc2ccccc2[nH]1)C34CC5CC(CC(C5)C3)C4 - inhibitor - - inhibitor 17407569 CCC12C=CCN3CCC4(C13)C(N(C)c5cc(OC)c(Br)cc45)C(O)(C2OC(=O)C)C(=O)OC non-inhibitor - - inhibitor - 17407725 COc1ccc(cc1)C(=O)\C=C\2/N(C)C(C)(C)Cc3ccccc23 - - - inhibitor inhibitor 17407728 COc1ccc(NC(=S)N(CCc2nc3cc(C)c(C)cc3[nH]2)Cc4cccnc4)cc1 - - inhibitor - inhibitor 17407755 COc1ccc(cc1OC)C(=O)N\N=C\2/SCC(=O)N2Cc3ccc4OCOc4c3 - - - - inhibitor 17407826 CN(C#N)c1nc(Cl)nc(Nc2ccc(C)cc2)n1 inhibitor - - non-inhibitor - 17408007 Clc1ccc(cc1)n2nnnc2CN3CCOCC3 inhibitor - - - non-inhibitor 17408012 Cc1ccc(OCC(=O)NNC(=O)C2CCN(CC2)c3ncccn3)cc1 non-inhibitor inhibitor - - - 17408104 Cc1ccn2c(NC(=O)c3ccccc3)c(nc2c1)c4cccs4 - - - - inhibitor 17408163 Cc1cc(C)c(C(=O)N)c(SCC(=O)c2ccc(Cl)cc2)n1 - inhibitor - non-inhibitor - 17408178 CCCCC(=O)N\N=C(/C)\CC(=O)Nc1cc(Cl)ccc1OC - - - non-inhibitor inhibitor 17408181 Cc1ccc(cc1C)n2c(C)cc(C(=S)N3CCOCC3)c2C non-inhibitor inhibitor - - - 17408209 CNC(=S)N1CCN(CC1)c2cccc(OC)c2 - inhibitor - non-inhibitor - 17408235 CCCC(=O)NC(Nc1ccccc1OC)C(Cl)(Cl)Cl - inhibitor inhibitor - - 17408254 COC(=O)c1c(C)c(C)sc1NC(=O)CC2Nc3ccccc3NC2=O inhibitor - - - inhibitor 17408298 ClC(Cl)(Cl)C(NCCc1ccccc1)NC(=O)Cc2ccccc2 - inhibitor inhibitor - - 17408316 CN1\C(=C\C=C(\C#N)/C(=O)N)\C(C)(C)c2ccccc12 inhibitor - - non-inhibitor - 17408379 CC(C)CC(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl - inhibitor inhibitor - - 17408396 CC(C)CC(N(C(=O)Cn1nnc(n1)c2ccc(F)cc2)c3ccc(C)cc3)C(=O)NCC4CCCO4 non-inhibitor - inhibitor - - 17408407 CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c3ccccc3CC1(C)C - inhibitor - non-inhibitor - 17408486 CC(=O)c1cccc(NC(=O)\C(=C/c2occc2)\NC(=O)c3cccs3)c1 - - inhibitor - - 17408564 C\C(=N/NC(=O)COc1ccc(Cl)cc1)\CC(=O)NCCCN2CCOCC2 inhibitor inhibitor - - - 17408616 [O-][N+](=O)c1cc(ccc1N2CCCC2=O)S(=O)(=O)Oc3cccc(Cl)c3 - inhibitor - inhibitor - 17408638 Clc1cccc(c1)C(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)Cc3occc3 - inhibitor - inhibitor - 17408688 Cc1nn(c(Cl)c1\C=N\NC(=O)c2occc2)c3ccccc3 inhibitor - - - non-inhibitor 17408722 Cc1ccc(OCCCC(=O)NCc2occc2)cc1 - inhibitor - non-inhibitor - 17408724 Cc1ccc(Nc2nc(cs2)c3c(C)nc4ncccn34)cc1 inhibitor inhibitor - - - 17408771 CC(C)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1 - inhibitor non-inhibitor - - 17408775 Fc1cccc(c1)N(CC(=O)NC2CCCCC2)C(=O)CSc3oc4ccccc4n3 - inhibitor inhibitor - - 17408785 COc1ccccc1C(OC(=O)c2cccs2)C(=O)NCC3CCCO3 - inhibitor - non-inhibitor - 17408805 COc1ccc(cc1)N(C(=O)Cn2nnc3ccccc23)C4(CCCCC4)C(=O)NC5CCCC5 non-inhibitor - - - inhibitor 17408818 CCCCC(=O)Nc1ccc(C)c(O)c1 inhibitor - - - non-inhibitor 17408826 CN1C2CCC1\C(=C/c3ccccc3)\C(=O)/C/2=C\c4ccccc4 - inhibitor - inhibitor - 17408878 COc1ccc(OC)c(NC(=O)c2c3CCCc3nc4ccccc24)c1 - - - non-inhibitor inhibitor 17408902 O=C(N\C(=C\c1occc1)\C(=O)N2CCCCCC2)c3cccs3 - inhibitor - non-inhibitor - 17408903 Cc1ccc(Nc2ncccc2C(=O)NCc3cccs3)c(C)c1 inhibitor inhibitor - - - 17408927 [O-][N+](=O)c1cc(Cl)ccc1OCc2oc(cc2)C(=O)NC34CC5CC(CC(C5)C3)C4 - inhibitor inhibitor - - 17409009 Nc1nn2c(O)cc(nc2c1N=Nc3ccccc3)c4ccccc4 inhibitor - - - non-inhibitor 17409042 Cc1ccc(cc1)c2c(cnc3c(N=Nc4ccccc4Cl)c(N)nn23)C#N inhibitor - - - - 17409080 O=C(N\C(=C\c1cccs1)\c2nc3ccccc3[nH]2)c4ccccc4 - non-inhibitor inhibitor - - 17409084 COC(=O)c1ccc(NC(=S)N2CCN(Cc3cccc(C)c3)CC2)cc1 non-inhibitor inhibitor - - - 17409109 CN1CCN(CC1)S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(C)cc3)cc2 - - - non-inhibitor inhibitor 17409126 Cc1ccccc1OCCCC(=O)NCc2occc2 - inhibitor - non-inhibitor - 17409248 CCCn1nnnc1NC(=O)COc2ccc(Cl)cc2C - inhibitor inhibitor - - 17409268 COc1cccc(c1)C(N(C2CC2)C(=O)Cn3nnc4ccccc34)C(=O)Nc5ccc(F)cc5 non-inhibitor - - - inhibitor 17409306 CCC(CC)C(=O)Nc1ccc(C)c(O)c1 - - inhibitor - inhibitor 17409316 C\C(=N/NC(=O)c1ccccc1N)\CC(=O)Nc2cccc3CCCCc23 - - - non-inhibitor inhibitor 17409335 Cc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1 - inhibitor non-inhibitor - - 17409365 C(Sc1ccccc1)c2nc3ccccc3[nH]2 - inhibitor - inhibitor - 17409662 FC(F)(F)c1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2)c1 - inhibitor - - - 17409711 O=S(=O)(N1CCCC1c2nc3ccccc3s2)c4ccccc4 - inhibitor - non-inhibitor - 17409732 COc1ccccc1NC(=O)C2=NN(C=CC2=O)c3cccc(c3)C(F)(F)F inhibitor - - non-inhibitor - 17409778 Clc1cccc(c1)S(=O)CC(=O)Nc2ccccc2Cl - inhibitor - non-inhibitor - 17409786 COc1ccc(CN2C(=Nc3cc(OC)c(OC)cc3C2=N)SCc4ccccc4C)cc1 - - - inhibitor inhibitor 17409848 Cc1nn(c(O)c1CCOC(=O)c2cccc(c2)C(F)(F)F)c3ccccc3 - inhibitor - - inhibitor 17409863 CCOC(=O)CSc1n[nH]c(NC(=O)c2ccccc2)n1 inhibitor - non-inhibitor - - 17409897 Cc1cc(C)c2c(nn(CC#N)c2n1)n3cccc3 inhibitor - - inhibitor - 17409947 FC(F)(F)c1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c4ccccc24)cc1 - inhibitor - - inhibitor 17409955 Clc1ccccc1CN2N=C(C(=CC2=O)N3CCCCC3)c4ccccc4 inhibitor - - - inhibitor 17409976 C(Sc1oc(nn1)c2sccc2n3cccc3)c4ccccc4 inhibitor inhibitor - - - 17409992 CC(Oc1ccc(Cl)cc1Cl)C(=O)\C=C\N(C)C inhibitor inhibitor - - - 17410036 CN(C)\C=C\C1=C(C=C(NC(=O)c2ccccc2)C(=O)O1)C(=O)C - - non-inhibitor inhibitor - 17410060 NC(=O)C1(CC1)NC(=O)[C@@H]2CC3(CN2C(=O)c4ccccc4)CC(=NO3)c5cccc(NC(=O)c6cc(cc(c6)[N+](=O)[O-])[N+](=O)[O-])c5 non-inhibitor - - - inhibitor 17410061 CCOC(=O)C(=Cc1oc(cc1)c2ccsc2C(=O)OC)C(=O)OCC - inhibitor inhibitor - - 17410062 CCOC(=O)c1c(nc2ccccn12)c3ccccc3 inhibitor - - non-inhibitor - 17410064 CCOC(=O)c1c(nc2c(C)cccn12)c3ccccc3 inhibitor - - inhibitor - 17410074 Clc1ccc(C(=O)c2cnc(s2)c3ccccc3)c(Cl)c1 inhibitor inhibitor - - - 17410086 Cc1ccc(cc1)C(=O)Nc2ccc3nccnc3c2 inhibitor - - non-inhibitor - 17410102 O=C(NCc1cccnc1)c2cc(c[nH]2)C(=O)c3ccccc3 inhibitor - - - inhibitor 17410103 Clc1ccccc1C(=O)Nc2ccnc(n2)c3cccnc3 inhibitor - - - non-inhibitor 17410145 Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3cccs3 inhibitor - inhibitor - - 17410220 CCCCC(=O)OCc1cn(nn1)c2ccc(Cl)cc2 inhibitor inhibitor - - - 17410258 CNC(=O)NC(=S)NC(=O)c1ccc(OC)cc1 inhibitor - - non-inhibitor - 17410265 Cc1nc(nc(O)c1Cc2ccccc2)n3nc4CCCCc4c3O - - inhibitor - - 17410291 Cc1nn(c(O)c1CCOC(=O)c2ccc(cc2)C(F)(F)F)c3ccccc3 - inhibitor - - - 17410292 Cc1nc(sc1C(=O)Nc2ccc(Cl)cc2)c3cccnc3 inhibitor - inhibitor - - 17410303 FC(F)(F)c1cccc(NC(=O)c2n[nH]c(Cn3cncn3)n2)c1 inhibitor - inhibitor - - 17410304 FC(F)(F)Oc1ccc(NC(=O)c2n[nH]c(Cn3cncn3)n2)cc1 inhibitor inhibitor - - - 17410376 CSc1nc2ccccc2cc1\C=C(/C#N)\c3cccc(Cl)c3 inhibitor - - non-inhibitor - 17410385 CCNc1nc(Sc2ccc(C)cc2)cc(n1)C(F)(F)F inhibitor - - non-inhibitor - 17410395 Clc1ccc(cc1)C(=O)C\C=N\OCc2ccc(Cl)cc2Cl inhibitor inhibitor - - - 17410402 Clc1cccc(c1)S(=O)(=O)CC(=O)Nc2ccccc2Cl - inhibitor - - inhibitor 17410523 Cc1onc(C)c1CS(=O)(=O)c2ccc(Br)cc2 - inhibitor - non-inhibitor - 17410538 Cc1ccc2c[nH]nc2c1NC(=S)NC(=O)c3ccccc3 inhibitor - - non-inhibitor - 17410593 O=C(Cc1cccs1)N(C(C(=O)NCC2CCCO2)c3cccnc3)c4ccccc4 - - - - inhibitor 17410726 CCOc1ccc(cc1)N2C(=O)CS/C/2=N\NC(=O)COc3ccc4ccccc4c3 - - - - inhibitor 17410889 CCc1ccc(cc1)N(C(C(=O)NC2CCCC2)c3ccc(OC)cc3)C(=O)c4ccoc4C non-inhibitor - - - inhibitor 17410895 COc1ccc2N=C(NN=C(c3ccc(cc3)[N+](=O)[O-])c2c1)c4occc4 inhibitor inhibitor - - - 17411010 COC(=O)c1c(C)[nH]c(O)c1\C=N\c2ccc(cc2)C(C)C inhibitor - - - - 17411022 Oc1c(N=O)c2ccccc2n1Cc3ccc(Cl)c(Cl)c3 - inhibitor inhibitor - - 17411027 CCOC(=O)CSCC(NC(=O)OC(C)(C)C)C(=O)OCC - inhibitor - - non-inhibitor 17411121 Fc1ccc(NC(=O)c2cccn2c3ncc(cc3Cl)C(F)(F)F)c(F)c1 - inhibitor - non-inhibitor - 17411151 CNc1nc(SCC=C)nc2ccsc12 inhibitor - - non-inhibitor - 17411175 Cn1c2ccccc2c3cc(sc13)C(=O)N4CCOCC4 inhibitor - - non-inhibitor - 17411179 FC(F)(F)c1cnc(CC(=O)Nc2cccc(Br)c2)c(Cl)c1 - inhibitor - inhibitor - 17411185 Oc1c(N=O)c2ccccc2n1Cc3cccc(Cl)c3 - inhibitor inhibitor - - 17411191 Oc1c(N=O)c2ccccc2n1Cc3ccc(Cl)cc3 - inhibitor inhibitor - - 17411199 CC(Oc1ccc(Cl)cc1)c2ccnn2S(=O)(=O)c3ccccc3 - inhibitor inhibitor - - 17411223 CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc2ccc(Cl)cc2 inhibitor inhibitor - - - 17411224 C(c1ccccc1)c2nnc(Sc3ccccc3)c4ccccc24 - inhibitor - - - 17411235 Clc1ccc(cc1)S(=O)(=O)NCc2onc(c2)c3ccccc3Cl inhibitor inhibitor - - - 17411321 CCOC(=O)c1nnc(nc1NCc2ccccc2)c3ccccc3 inhibitor - - - - 17411336 Cn1nc(c(C(=O)Nc2ccc(F)cc2F)c1Sc3ccc(cc3)C(F)(F)F)C(F)(F)F - inhibitor inhibitor - - 17411387 Cc1cc(nc(n1)n2cccc2)c3sccc3C inhibitor inhibitor - - - 17411392 Cc1nc2ccc(N\C(=N\CC=C)\S)cc2nc1C inhibitor non-inhibitor - - - 17411401 COCCNC(=O)c1cc2c3ccccc3n(C)c2s1 inhibitor - - - - 17411475 CC(=O)\C=C(/O)\c1c(C)nn(c1O)c2nc(cs2)c3ccc(Cl)cc3 - inhibitor - - non-inhibitor 17411476 C=CCNc1nc(SCC=C)nc2ccsc12 inhibitor inhibitor - - - 17411479 O=C(Nc1c(C#N)sc(SCC#N)c1c2ccccc2)c3ccccc3 inhibitor - - - - 17411529 COc1cccc(c1)\N=C\c2c[nH]nc2O inhibitor - - non-inhibitor - 17411531 COc1cc(O)oc1\C=N\c2ccc(Cl)cc2 inhibitor inhibitor - - - 17411581 Cc1cc(C)nc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)c1 inhibitor - - - non-inhibitor 17411599 COc1ccccc1C2=NOC(COc3ccc(Cl)c4cccnc34)C2 inhibitor inhibitor - - - 17411643 [O-][N+](=O)c1ccc(cc1)C2C3N2C4(CCCCC4)N=C3c5ccccc5 non-inhibitor inhibitor - - - 17411658 Clc1cccc(CSCC(=O)N\N=C\c2ccc(OCC(=O)N3CCCCC3)cc2)c1 - inhibitor - - - 17411679 Cc1c(cccc1[N+](=O)[O-])C(=O)NCCC2=CCCCC2 - inhibitor non-inhibitor - - 17411728 COc1cc(\C=N\NC(=O)c2cccnc2)ccc1OC(=O)c3occc3 - inhibitor - non-inhibitor - 17411737 Cc1ccc(cc1)c2ccnc(S)n2 inhibitor - inhibitor - - 17411825 COc1ccc(cc1)C(=O)N\N=C\c2cccc3cccnc23 inhibitor - - non-inhibitor - 17411833 COc1cc(cc(OC)c1OC)C(=O)Nc2cc(ccc2Cl)C(F)(F)F inhibitor - inhibitor - - 17411836 Clc1cccc(c1)c2oc(\C=C(\C(=O)NCc3cccnc3)/S(=O)(=O)c4ccccc4)cc2 - - inhibitor - inhibitor 17411839 Cc1ccc(cc1)C(=O)N\C(=C/c2ccc(Br)cc2)\c3n[nH]c(S)n3 inhibitor - inhibitor - - 17411893 CC(C(=O)Nc1ccc(Cl)cn1)n2nc(C)c(c2C)[N+](=O)[O-] - inhibitor - non-inhibitor - 17411917 CCN(CC)c1ccc(\C=N\N2CCN(Cc3ccc(C)cc3)CC2)c(O)c1 - - - - inhibitor 17411919 Clc1ccc(CC(=O)ONC(=N)c2cccnc2)cc1 - - - inhibitor inhibitor 17411925 Brc1ccc(cc1)c2csc(n2)N3CCc4ccccc4C3 inhibitor - - - non-inhibitor 17411937 NS(=O)(=O)c1ccc(NCc2ccccc2OCc3ccccc3F)cc1 - inhibitor inhibitor - - 17411986 COc1ccccc1OCCCOc2ccc(cc2Cl)[N+](=O)[O-] inhibitor inhibitor - - - 17412011 CCCCCC1CCC(CC1)C(=O)N\N=C(/S)\NCC - - inhibitor - non-inhibitor 17412052 CCOC(=O)C1=C(C)N=C2SC(=CC(=O)N2C1c3ccc(F)cc3)C(=O)OC - inhibitor inhibitor - - 17412099 CCN(CC(=O)Nc1ccc(cc1OC)[N+](=O)[O-])c2ccccc2 - inhibitor inhibitor - - 17412104 COc1ccc(cc1NCc2ccccc2C)[N+](=O)[O-] inhibitor inhibitor - - - 17412144 Cc1cccc(C)c1NC(=S)NC(=O)CCc2ccccc2 - inhibitor - non-inhibitor - 17412149 CCOC(=O)c1cccc(NC(=O)COc2ccc(cc2)[N+](=O)[O-])c1 - inhibitor - inhibitor - 17412168 COc1cccc(\C=N\NC(=O)CSc2nnc(C)n2c3ccccc3)c1O - - - non-inhibitor inhibitor 17412203 COc1ccc(CCN(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC - non-inhibitor - - inhibitor 17412337 Oc1ccccc1\C=N\N2C(=O)C3C4CCC(C=C4)C3C2=O inhibitor - - non-inhibitor - 17412349 Clc1ccc(cc1)S(=O)(=O)\N=C(\Nc2ccccn2)/c3ccccc3 - - - non-inhibitor inhibitor 17412427 Fc1ccc(\C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c3ccc4OCCOc4c3)cc1 - inhibitor - - non-inhibitor 17412858 Clc1ccc(CSCCNS(=O)(=O)c2ccc3OCCOc3c2)c(Cl)c1 - inhibitor - inhibitor - 17412872 O=C(NCCc1ccccc1)N2c3ccccc3Sc4ccccc24 inhibitor inhibitor - - - 17412881 Fc1ccc(cc1)C(=O)\C=C/NCC(=O)c2ccccc2 inhibitor inhibitor - - - 17412975 COc1ccc(Br)cc1\C=C\C(=O)Nc2c(C)cccc2C - inhibitor - - inhibitor 17412978 COc1ccccc1\C=C\C(=O)c2ccc(Cl)cc2 inhibitor inhibitor - - - 17413005 COc1ccccc1NC(=O)Cc2csc(\N=C(/S)\Nc3ccc(C)cc3)n2 - - inhibitor - inhibitor 17413087 Cc1ccc(cc1)S(=O)(=O)Nc2nc(C)c(NC(=O)Nc3ccc(Cl)cc3Cl)s2 non-inhibitor - inhibitor - - 17413109 COc1ccccc1NC(=O)Cn2nnc(n2)c3ccccc3NC(=O)C4=Cc5ccccc5OC4=O - - inhibitor - inhibitor 17413152 CCc1ccccc1NC(=O)C(C)n2nc(c(Br)c2C)[N+](=O)[O-] - inhibitor - - - 17413215 CCOC(=O)c1c(NC(=S)NC(=O)N(C)C)scc1c2oc(C)cc2 inhibitor - inhibitor - - 17413250 CN(C)S(=O)(=O)c1cc(ccc1N2CCCCCC2)[N+](=O)[O-] - inhibitor - - - 17413258 Oc1c(Cl)cc(Cl)cc1\C=C(/C#N)\C(=O)NC2CCCCC2 inhibitor - - non-inhibitor - 17413315 Cc1cccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)c1 - inhibitor non-inhibitor - - 17413371 COc1cc(\C=N\O)cc(Br)c1OCc2ccc(Cl)cc2 inhibitor inhibitor - - - 17413431 COCc1cc(C)nc(OCC(=O)N\N=C\c2oc(cc2)c3cccc(c3)[N+](=O)[O-])c1C#N - - - non-inhibitor inhibitor 17413490 OC(=O)c1ccccc1NC(=O)c2cccc(NC(=O)CSCc3ccccc3)c2 - - inhibitor - - 17413491 Cc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc(C2=O)c34)c1 inhibitor - - - inhibitor 17413530 COc1ccccc1CC(=N)NOC(=O)c2ccc(C)c(c2)[N+](=O)[O-] - inhibitor - - inhibitor 17413547 Cc1cc(C)nc(SCC(=O)N\N=C\c2sccc2C)n1 - inhibitor non-inhibitor - - 17413573 Cc1cc(C)c(Cn2cnc(c2)c3ccc(cc3)[N+](=O)[O-])c(C)c1 - inhibitor - - inhibitor 17413590 OC1=C(C(N(C1=O)c2cccc(Cl)c2)c3ccccc3[N+](=O)[O-])C(=O)c4ccccc4 non-inhibitor - inhibitor - - 17413613 Oc1ccccc1NC(=O)\C(=C/c2ccccc2)\NC(=O)\C=C\c3ccccc3 inhibitor - inhibitor - - 17413618 Cc1cccc(OC2=COc3cc(OC(=O)c4cccs4)ccc3C2=O)c1 - inhibitor - non-inhibitor - 17413635 CC(=O)N1N=C(CC1c2ccc(Br)cc2)c3oc(C)cc3 - inhibitor inhibitor - - 17413652 CC(=O)c1cc(C)ccc1OC(=O)CCN2C(=O)C3C(C4c5ccccc5C3c6ccccc46)C2=O - inhibitor non-inhibitor - - 17413695 Clc1cccc(N2C(=O)CC(NCCC3=CCCCC3)C2=O)c1Cl - inhibitor - - - 17413703 CN(C)c1ccc(\C=C(/C)\[N+](=O)[O-])cc1 inhibitor - - - - 17413771 Cc1n[nH]c(Nc2ccccc2)c1[N+](=O)[O-] inhibitor - - inhibitor - 17413842 Cc1c(NC(=O)CCCOc2ccccc2)cccc1[N+](=O)[O-] - inhibitor - inhibitor - 17413845 Cc1cccc(CSCCNC(=O)CSCc2ccc(cc2)[N+](=O)[O-])c1 - - inhibitor inhibitor - 17413862 CCOc1cc(C)ccc1OCc2nnc(SCC(=O)c3cccc(c3)[N+](=O)[O-])n2C - - - non-inhibitor inhibitor 17413899 Cc1nc(O)c(C(=O)\C=C\c2ccccc2F)c3CCCCc13 - inhibitor - non-inhibitor - 17413901 COc1ccc(cc1)N2C(=O)NC(=O)C3=C2N=C(CC(C)C)NC3(C(F)(F)F)C(F)(F)F - inhibitor - non-inhibitor - 17413960 CC(=O)Nc1ccc(cc1)c2nnc(SCC(=O)c3ccc4c(Cc5ccccc45)c3)n2C - inhibitor - - - 17414001 CC(\N=C(/S)\NNC(=O)c1cc(C)nc2ccccc12)c3ccccc3 - - inhibitor non-inhibitor - 17414009 Clc1ccc(\C=N\NC(=O)Nc2ccccc2)cc1 inhibitor - - non-inhibitor - 17414144 CCN1CCN(CC1)C(=S)c2ccc(Br)cc2 - inhibitor - inhibitor - 17414211 Nc1ccc(cc1)C(=O)N\N=C\c2ccccc2 - - inhibitor non-inhibitor - 17414276 COc1ccccc1N2CCN(CC2)C3=C(C=O)C(=O)N4C=CC=C(C)C4=N3 - inhibitor - non-inhibitor - 17414320 CC(NC(=O)c1ccc(Cl)cc1)c2nnc(SCc3ccc(cc3)[N+](=O)[O-])n2C - - - non-inhibitor inhibitor 17414321 Cc1ccc2NC(=O)C3(SCCS3)c2c1 inhibitor - - non-inhibitor - 17414345 Cc1cccc(OC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O)c1C - inhibitor inhibitor - - 17414363 CC(NC(=O)c1ccccc1Br)c2ccc3CCCCc3c2 - inhibitor - non-inhibitor - 17414380 [O-][N+](=O)c1cc2OCOc2cc1\C=N\c3ccccc3 inhibitor - inhibitor - - 17414434 CCc1ccc(cc1)N2C(=S)N(CC(=O)OC)\C(=C/c3cccs3)\C2=O - inhibitor - inhibitor - 17414451 Cc1ccc(cc1)c2nnc(S)n2\N=C\c3cccn3C inhibitor - - inhibitor - 17414511 CCCc1ccc(cc1)c2cc(C(=O)NN3CCOCC3)c4ccccc4n2 non-inhibitor - inhibitor - - 17414540 CCCSC1=C(C#N)C(C(=C(N1)c2ccccc2)C(=O)OCC)c3cccnc3 non-inhibitor - inhibitor - - 17414580 CN1CCN(CC1)c2ccc(cc2C(=O)c3ccc(Br)cc3)[N+](=O)[O-] - inhibitor - - inhibitor 17414587 Cc1ccccc1Cn2c(Cc3ccccc3)nc4ccccc24 - inhibitor inhibitor - - 17414631 CCN(CC)c1ccc(\C=C\c2nc3ccccc3s2)cc1 inhibitor inhibitor - - - 17414671 Cc1ccc(OC2=COc3cc(OC(=O)c4cccs4)ccc3C2=O)cc1 inhibitor - - non-inhibitor - 17414673 N=C1N2C(=NSC2=NC(=O)/C/1=C\c3cccs3)SCc4ccccc4 - - inhibitor - - 17414678 Cc1ccc(cc1)C(=N)NOC(=O)Cc2cccs2 - - inhibitor non-inhibitor - 17414714 CC(NC(=O)c1ccccc1C)c2ccc3CCCCc3c2 - inhibitor - - non-inhibitor 17414771 Cc1cc(NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)c(C)cc1Br - - - non-inhibitor inhibitor 17414788 COc1cccc2C=C(C(=O)CC3(O)C(=O)N(Cc4ccccc4)c5ccccc35)C(=O)Oc12 - - - - inhibitor 17414793 Cc1ccc(cc1)n2c(C)cc(\C=C(/C#N)\C(=O)NCC3CCCO3)c2C non-inhibitor inhibitor - - - 17414857 [O-][N+](=O)c1cc(ccc1N2CCCCC2)C(=O)N(Cc3ccccc3)c4ccccn4 - - inhibitor - inhibitor 17414877 CSc1ccc(cc1)S(=O)(=O)Nc2ccc3CCc4cccc2c34 - inhibitor - - inhibitor 17414891 CCOc1cc(\C=C\2/C(=NN(C2=O)c3ccccc3)C)ccc1OC(=O)c4occc4 - - inhibitor non-inhibitor - 17414934 FC(F)(F)c1cccc(N\C(=N\c2cccc(Cl)c2)\S)c1 inhibitor inhibitor - - - 17414960 CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(F)(F)F non-inhibitor - - inhibitor - 17414995 COc1ccc(cc1)C(=O)NC(=S)NCc2ccccc2 inhibitor inhibitor - - - 17415036 Clc1cccc(NCCC(=O)c2cccs2)c1 inhibitor inhibitor - - - 17415066 COc1ccc(\C=C(\C(=O)Nc2ccccc2C(=O)NC(C)C)/c3ccccc3)cc1 - - inhibitor non-inhibitor - 17415104 Cc1ccccc1c2onc(n2)c3ccc(NC(=O)c4cccs4)cc3 - inhibitor - non-inhibitor - 17415114 OC(COCc1ccccc1)Cn2cnc3ccccc23 - - - - inhibitor 17415134 Clc1ccc(COC(=O)CNC(=O)CNC(=O)c2ccccc2)cc1 non-inhibitor - inhibitor - - 17415175 NC(=O)c1ccccc1NC(=O)\C=C\c2cccc(Cl)c2 inhibitor - - non-inhibitor - 17415178 Cc1ccc(C(=O)NC(=S)Nc2ccc3OCCOc3c2)c(C)c1 inhibitor - - non-inhibitor - 17415191 CCCc1nnc(NC(=O)C(CC)OC(=O)c2cc(C)nc3ccccc23)s1 - - inhibitor non-inhibitor - 17415200 CN1C(=C(NC(=O)OCCNC(=O)COc2c(Cl)cccc2Cl)SC1=S)C - inhibitor inhibitor - - 17415253 Clc1ccc(SCCC(=O)N2CCCCCC2)cc1 - inhibitor - - - 17415304 Cl.CC1CCCN(CC(O)COCC2COc3ccccc3O2)C1 - inhibitor - - - 17415315 [O-][N+](=O)c1ccc(NCCNC(=O)c2ccccc2Br)cc1 non-inhibitor inhibitor - - - 17415316 Fc1cccc(c1)C(=O)N\N=C\c2ccc(Cl)cc2Cl inhibitor - - inhibitor - 17415322 CCOC(=O)COc1cc(OCC(=O)OCC)c2C(=O)C=C(Oc2c1)c3ccccc3 - - inhibitor non-inhibitor - 17415365 CN1N(C(=O)C(=C1C)C(C2=C(C)N(C)N(C2=O)c3ccccc3)c4cccc(c4O)[N+](=O)[O-])c5ccccc5 - - inhibitor - non-inhibitor 17415399 CN1N(C(=O)C(=C1C)N2C(=S)S\C(=C\3/C(=O)N(C)c4ccccc34)\C2=O)c5ccccc5 - inhibitor - inhibitor - 17415546 Clc1cccc(NC(=S)NC2CCCCC2)c1 - inhibitor non-inhibitor - - 17415587 COc1cc(\C=C\C(=O)Nc2cc(ccc2Cl)C(F)(F)F)cc(OC)c1OC - - - inhibitor non-inhibitor 17415591 CC(CCc1ccccc1)NC(=O)c2cccc(c2C)[N+](=O)[O-] - inhibitor - non-inhibitor - 17415599 CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccccc2)c1 - - inhibitor non-inhibitor - 17415601 CC(NC(=O)Cc1ccc(F)cc1)c2ccccc2 non-inhibitor - inhibitor - - 17415608 CCOC(=O)c1c(C)nc2CC(C)(C)CC(=O)c2c1c3ccc(OC)cc3 - - - non-inhibitor inhibitor 17415662 CCS(=O)(=O)N1CCN(CC1)c2c(Cl)cccc2[N+](=O)[O-] - inhibitor - non-inhibitor - 17415724 Fc1ccc2NC(=O)C3(Nc4ccccc4c5nnc(SCc6ccccc6Cl)nc5O3)c2c1 - - inhibitor - inhibitor 17415734 COc1ccc(cc1Br)C(=O)Nc2cc3CCCCc3cc2OC - inhibitor - non-inhibitor - 17415737 Cc1cc(C)c(NC(=O)COc2ccc(cc2)C(=S)N3CCCCC3)c(C)c1 - - - non-inhibitor inhibitor 17415742 Cc1ccc(OCC(O)CNC(=O)c2ccccc2C(=O)O)cc1 - - inhibitor non-inhibitor - 17415775 Cc1ccccc1OCCNC(=O)c2ccccc2Sc3ccccc3C#N - inhibitor - - - 17415783 CCOc1ccc2nc(SCc3ccccc3C#N)sc2c1 inhibitor inhibitor - - - 17415840 CCOC(=O)N1CCN(CC1)c2cc(N)c(cc2F)[N+](=O)[O-] - inhibitor - non-inhibitor - 17415863 Cc1ccc(cc1NC(=S)NC(=O)c2ccccc2)c3nc4ccccc4s3 - - inhibitor non-inhibitor - 17415924 Cc1ccc(OCCCOc2cccc3cccnc23)cc1C inhibitor inhibitor - - - 17415950 [O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)\C(=C/c2ccc(Cl)cc2)\NC(=O)c3ccccc3 - inhibitor inhibitor - - 17415989 CCCCCOc1ccc(cc1)C(=O)NCC2(CCOCC2)c3ccccc3 - inhibitor inhibitor - - 17416005 FC(F)(F)c1ccc(Cl)c(NC(=O)CCCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1 inhibitor inhibitor - - - 17416057 C\C(=N/c1ccc(Br)c(Cl)c1)\C=C(/O)\c2ccccc2 inhibitor inhibitor - - - 17416064 CC(=O)c1cccc(NC(=S)NC(=O)CC(C)(C)C)c1 inhibitor - inhibitor - - 17416088 O=C(Nc1ccccc1)\C(=C/c2ccc3OCOc3c2)\NC(=O)c4occc4 - - inhibitor - - 17416092 COc1ccc(cc1OC)C(O)P(=O)(OC(C)C)OC(C)C - inhibitor inhibitor - - 17416111 CCCCC1(C)OC(=O)C(=Cc2ccc(cc2)N(C)C)C(=O)O1 - - - - inhibitor 17416136 Cc1oc(\C=N\NC(=O)CN(c2ccccc2Br)S(=O)(=O)C)cc1Br - - inhibitor - inhibitor 17416180 Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1 inhibitor inhibitor - - - 17416195 COc1ccccc1C(=O)N\C(=C\c2ccc(Br)cc2)\C(=O)NCC(=O)O - - - non-inhibitor inhibitor 17416218 C\C(=N/Nc1nnc(c2ccccc2)c(n1)c3ccccc3)\c4cccc(c4)[N+](=O)[O-] inhibitor - - non-inhibitor - 17416238 CCOc1cc(\C=N\n2cnnc2)ccc1OC(=O)c3cccc(c3)[N+](=O)[O-] inhibitor - - non-inhibitor - 17416250 CCOC(=O)C1=C(Nc2ccc(C)cc2)S\C(=C/c3oc(cc3)c4ccccc4C(=O)O)\C1=O inhibitor - - - - 17416265 CCC(=O)Nc1cccc(NC(=O)c2cccc(c2)[N+](=O)[O-])c1 inhibitor - - non-inhibitor - 17416340 Cc1cccc(NC2(N=C(NC2=O)c3ccccc3)C(F)(F)F)n1 non-inhibitor inhibitor - - - 17416344 CCOC(=O)c1c2CCN(CCc3ccccc3)Cc2sc1\N=C(/S)\Nc4ccccc4 - - inhibitor inhibitor - 17416397 Cc1ccnc(NC(=S)NC(=O)c2occc2)c1 inhibitor - - - - 26751238 CC(=O)OC[C@@H]1O[C@@H](O\N=C/2\C[C@@H](O)[C@@H](O)[C@H]3[C@@H]2CC[C@H]4C3C(=O)N(C4=O)c5cccc(Oc6ccccc6)c5)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C - - non-inhibitor - inhibitor