0 B30R3.9675436828 C=C(C)CNNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 22a_100000729518_100020610535 [0,0,0,0,0,0|4,0,0]=4 1 B30R3.9675436828 CC(=CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3)C 1458a_100020610535_100011217483 [0,0,0,0,0,0|3,0,0]=3 2 B30R3.9675436828 CC(=CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3)C 527a_100000718196_100020610535 [0,0,0,0,0,0|3,0,0]=3 3 B30R3.9675436828 CC(=O)CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100011215641 [0,0,0,0,0,0|2,0,0]=2 4 B30R3.9675436828 CC(=O)NCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000189650 [0,0,0,0,0,0|2,0,0]=2 5 B30R3.9675436828 CC(=O)OCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100009814007 [0,0,0,0,0,0|1,0,0]=1 6 B30R3.9675436828 CC(C)CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100011214892 [0,0,0,0,0,0|3,0,1]=4 7 B30R3.9675436828 CC(C)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000210545_100020610535 [0,0,0,0,0,0|3,0,1]=4 8 B30R3.9675436828 CC(C)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000210545_100020610535 [0,0,0,0,0,0|3,0,1]=4 9 B30R3.9675436828 CC(C)OCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000211751 [0,0,0,0,0,0|2,0,1]=3 10 B30R3.9675436828 CC(C)SCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000730970 [0,0,0,0,0,0|2,1,1]=4 11 B30R3.9675436828 CC(O)CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_200000718107 [0,0,0,0,0,0|2,0,2]=4 12 B30R3.9675436828 CC(O)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_200000755665_100020610535 [0,0,0,0,0,0|2,0,2]=4 13 B30R3.9675436828 CC(O)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_200000755665_100020610535 [0,0,0,0,0,0|2,0,2]=4 14 B30R3.9675436828 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCC=C(F)F)NC(=O)Cc3ccccc3)C 1458a_100020610535_200009816681 [0,0,0,0,0,0|4,0,0]=4 15 B30R3.9675436828 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCCC(=O)N)NC(=O)Cc3ccccc3)C 1458a_100020610535_100102525003 [0,0,0,0,0,0|3,0,0]=3 16 B30R3.9675436828 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCNC(=O)N)NC(=O)Cc3ccccc3)C 1458a_100020610535_200000034859 [0,0,0,0,0,0|3,0,0]=3 17 B30R3.9675436828 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCOC(=O)N)NC(=O)Cc3ccccc3)C 1458a_100020610535_200011214921 [0,0,0,0,0,0|2,0,0]=2 18 B30R3.9675436828 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCC(=O)N)NC(=O)Cc3ccccc3)C 240690a_100000740010_100020610535 [0,0,0,0,0,0|3,0,0]=3 19 B30R3.9675436828 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCC(=O)N)NC(=O)Cc3ccccc3)C 527a_100000740010_100020610535 [0,0,0,0,0,0|3,0,0]=3 20 B30R3.9675436828 CN(C)CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000695564 [0,0,0,0,0,0|4,0,0]=4 21 B30R3.9675436828 CN(C)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000210585_100020610535 [0,0,0,0,0,0|4,0,0]=4 22 B30R3.9675436828 CN(C)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000210585_100020610535 [0,0,0,0,0,0|4,0,0]=4 23 B29R3.1248168876 C=CCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000757094 [1,0,0,0,0,0|2,0,1]=4 24 B29R3.1248168876 C=CCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100015191253_100020610535 [1,0,0,0,0,0|2,0,1]=4 25 B29R3.1248168876 C=CCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100015191253_100020610535 [1,0,0,0,0,0|2,0,1]=4 26 B29R3.1248168876 C=COCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000039644 [1,0,0,0,0,0|1,0,1]=3 27 B29R3.1248168876 CC#CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000685387_100020610535 [1,0,0,0,0,0|2,0,1]=4 28 B29R3.1248168876 CCCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000210326 [1,0,0,0,0,0|2,0,1]=4 29 B29R3.1248168876 CCCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000102301_100020610535 [1,0,0,0,0,0|2,0,1]=4 30 B29R3.1248168876 CCCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000102301_100020610535 [1,0,0,0,0,0|2,0,1]=4 31 B29R3.1248168876 CCOCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100011215890 [1,0,0,0,0,0|1,0,1]=3 32 B29R3.1248168876 CCSCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000757381 [1,0,0,0,0,0|1,1,1]=4 33 B29R3.1248168876 COCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000740836 [1,0,0,0,0,0|3,0,0]=4 34 B29R3.1248168876 COCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000209980_100020610535 [1,0,0,0,0,0|3,0,0]=4 35 B29R3.1248168876 COCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000209980_100020610535 [1,0,0,0,0,0|3,0,0]=4 36 B29R3.1248168876 CSCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100020590264_100020610535 [1,0,0,0,0,0|3,0,0]=4 37 B29R3.1248168876 CSCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100020590264_100020610535 [1,0,0,0,0,0|3,0,0]=4 38 B31R3.4489523161 C=CC(=O)OCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100009813456 [0,1,0,0,0,0|1,0,1]=3 39 B31R3.4489523161 CNC(=O)CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000741757 [0,1,0,0,0,0|2,0,0]=3 40 B31R3.4489523161 CNC(=O)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000738227_100020610535 [0,1,0,0,0,0|2,0,0]=3 41 B31R3.4489523161 CNC(=O)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000738227_100020610535 [0,1,0,0,0,0|2,0,0]=3 42 B31R3.4489523161 CNC(=O)OCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_200011997002 [0,1,0,0,0,0|1,0,0]=2 43 B31R3.4489523161 COC(=O)CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100011218270 [0,1,0,0,0,0|2,0,0]=3 44 B31R3.4489523161 COC(=O)CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 188690a_100000683876_100020610535 [0,1,0,0,0,0|2,0,0]=3 45 B31R3.6525154210 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCCS(=O)(=O)C)NC(=O)Cc3ccccc3)C 1458a_100020610535_100000754308 [0,1,0,0,0,0|3,0,0]=4 46 B31R3.6525154210 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCNS(=O)(=O)C)NC(=O)Cc3ccccc3)C 1458a_100020610535_100000754112 [0,1,0,0,0,0|3,0,0]=4 47 B31R3.6525154210 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCOS(=O)(=O)C)NC(=O)Cc3ccccc3)C 1458a_100020610535_200000036756 [0,1,0,0,0,0|2,0,0]=3 48 B31R3.6525154210 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCO[Si](C)(C)C)NC(=O)Cc3ccccc3)C 1458a_100020610535_200000032530 [0,1,0,0,0,0|2,1,0]=4 49 B31R3.6525154210 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCS(=O)(=O)C)NC(=O)Cc3ccccc3)C 240690a_100000740961_100020610535 [0,1,0,0,0,0|3,0,0]=4 50 B31R3.6525154210 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCS(=O)(=O)C)NC(=O)Cc3ccccc3)C 527a_100000740961_100020610535 [0,1,0,0,0,0|3,0,0]=4 51 B31R3.6525170155 CC(=O)NC(=O)CC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000183797 [0,1,0,0,0,0|2,0,1]=4 52 B31R3.6525170819 CN(CCC(=O)N)C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000730477_100020610535 [0,1,0,0,0,0|3,0,0]=4 53 B31R3.6525170819 CN(CCC(=O)N)C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000730477_100020610535 [0,1,0,0,0,0|3,0,0]=4 54 B31R4.2261072698 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N3CNC(=O)C3)NC(=O)Cc4ccccc4)C 240690a_200000708111_100020610535 [0,0,0,1,0,0|2,0,0]=3 55 B31R4.2261072698 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N3CNC(=O)C3)NC(=O)Cc4ccccc4)C 527a_200000708111_100020610535 [0,0,0,1,0,0|2,0,0]=3 56 B31R4.2432670978 C=C1CC(C1)NC(=O)[C@@H]2N3C(=O)[C@H]([C@H]3SC2(C)C)NC(=O)Cc4ccccc4 527a_100132301982_100020610535 [0,0,0,1,0,0|3,0,0]=4 57 B31R4.2432670978 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CC3CC(=O)C3)NC(=O)Cc4ccccc4)C 1458a_100020610535_100009874392 [0,0,0,1,0,0|2,0,0]=3 58 B29R3.3541691460 C=C(C)CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000730704 [0,0,0,0,1,0|2,0,0]=3 59 B29R3.3541691460 C=C(C)CNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000765925_100020610535 [0,0,0,0,1,0|2,0,0]=3 60 B29R3.3541691460 C=C(C)CNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000765925_100020610535 [0,0,0,0,1,0|2,0,0]=3 61 B29R3.3541691460 CC(=CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3)C 1458a_100020610535_100000761012 [0,0,0,0,1,0|2,0,0]=3 62 B29R3.3541691460 CC(=O)NNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 22a_100000189765_100020610535 [0,0,0,0,1,0|2,0,0]=3 63 B29R3.3541691460 CC(C)CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000210312 [0,0,0,0,1,0|2,0,1]=4 64 B29R3.3541691460 CC(C)CNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000210953_100020610535 [0,0,0,0,1,0|2,0,1]=4 65 B29R3.3541691460 CC(C)CNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000210953_100020610535 [0,0,0,0,1,0|2,0,1]=4 66 B29R3.3541691460 CC(O)CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100012276601 [0,0,0,0,1,0|1,0,2]=4 67 B29R3.3541691460 CC(O)CNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000210904_100020610535 [0,0,0,0,1,0|1,0,2]=4 68 B29R3.3541691460 CC(O)CNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000210904_100020610535 [0,0,0,0,1,0|1,0,2]=4 69 B29R3.3541691460 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCC(=O)N)NC(=O)Cc3ccccc3)C 240690a_100000711301_100020610535 [0,0,0,0,1,0|2,0,0]=3 70 B29R3.3541691460 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCC(=O)N)NC(=O)Cc3ccccc3)C 527a_100000711301_100020610535 [0,0,0,0,1,0|2,0,0]=3 71 B31R3.6525154244 CC(=O)CCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000735457 [0,0,0,0,0,1|2,0,0]=3 72 B31R3.6525154244 CC(=O)NCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000209853_100020610535 [0,0,0,0,0,1|2,0,0]=3 73 B31R3.6525154244 CC(=O)NCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000209853_100020610535 [0,0,0,0,0,1|2,0,0]=3 74 B31R3.6525154244 CC(=O)OCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000042594 [0,0,0,0,0,1|1,0,0]=2 75 B31R3.6525154244 CC(=O)OCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000724843_100020610535 [0,0,0,0,0,1|1,0,0]=2 76 B31R3.6525154244 CC(=O)OCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000724843_100020610535 [0,0,0,0,0,1|1,0,0]=2 77 B31R3.6525154244 CC(=O)SCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000038929 [0,0,0,0,0,1|1,1,0]=3 78 B31R3.6525154244 CC(=O)SCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100020647217_100020610535 [0,0,0,0,0,1|1,1,0]=3 79 B31R3.6525154244 CC(=O)SCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100020647217_100020610535 [0,0,0,0,0,1|1,1,0]=3 80 B31R3.6525154244 CC(=S)OCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_200135323944 [0,0,0,0,0,1|1,1,0]=3 81 B31R3.6525154244 CC(C)OCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100000701111_100020610535 [0,0,0,0,0,1|2,0,1]=4 82 B31R3.6525154244 CC(C)OCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000701111_100020610535 [0,0,0,0,0,1|2,0,1]=4 83 B31R3.6525154244 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCOCC(=O)N)NC(=O)Cc3ccccc3)C 1458a_100020610535_100000076697 [0,0,0,0,0,1|2,0,0]=3 84 B31R3.6525154244 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCCC(=O)N)NC(=O)Cc3ccccc3)C 240690a_100000739312_100020610535 [0,0,0,0,0,1|3,0,0]=4 85 B31R3.6525154244 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCCC(=O)N)NC(=O)Cc3ccccc3)C 527a_100000739312_100020610535 [0,0,0,0,0,1|3,0,0]=4 86 B31R3.6525154244 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCNC(=O)N)NC(=O)Cc3ccccc3)C 240690a_100020590234_100020610535 [0,0,0,0,0,1|3,0,0]=4 87 B31R3.6525154244 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCNC(=O)N)NC(=O)Cc3ccccc3)C 527a_100020590234_100020610535 [0,0,0,0,0,1|3,0,0]=4 88 B31R3.6525154244 CS(=O)CCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_200000753449_100020610535 [0,0,0,0,0,1|3,0,0]=4 89 B31R3.6525154244 CS(=O)CCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_200000753449_100020610535 [0,0,0,0,0,1|3,0,0]=4 90 B31R3.6525171638 CC(=CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3)C 1458a_100000056101_100011217483 [0,0,0,0,0,1|3,0,0]=4 91 B31R3.6525171638 CC(=O)CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 1458a_100000056101_100011215641 [0,0,0,0,0,1|2,0,0]=3 92 B31R3.6525171638 CC(=O)NCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 1458a_100000056101_100000189650 [0,0,0,0,0,1|2,0,0]=3 93 B31R3.6525171638 CC(=O)OCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 1458a_100000056101_100009814007 [0,0,0,0,0,1|1,0,0]=2 94 B31R3.6525171638 CC(C)OCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 1458a_100000056101_100000211751 [0,0,0,0,0,1|2,0,1]=4 95 B31R3.6525171638 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCCC(=O)N)NC(=O)COc3ccccc3)C 1458a_100000056101_100102525003 [0,0,0,0,0,1|3,0,0]=4 96 B31R3.6525171638 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCNC(=O)N)NC(=O)COc3ccccc3)C 1458a_100000056101_200000034859 [0,0,0,0,0,1|3,0,0]=4 97 B31R3.6525171638 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCOC(=O)N)NC(=O)COc3ccccc3)C 1458a_100000056101_200011214921 [0,0,0,0,0,1|2,0,0]=3 98 B31R3.6525171638 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCCC(=O)N)NC(=O)COc3ccccc3)C 240690a_100000740010_100000056101 [0,0,0,0,0,1|3,0,0]=4 99 B28R3.695507818 C/C=C/CC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100102629194 [2,0,0,0,0,0|1,0,0]=3 100 B28R3.695507818 C=CCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000754431 [2,0,0,0,0,0|1,0,1]=4 101 B28R3.695507818 C=CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100020586998_100020610535 [2,0,0,0,0,0|1,0,1]=4 102 B28R3.695507818 C=CCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100020586998_100020610535 [2,0,0,0,0,0|1,0,1]=4 103 B28R3.695507818 CC#CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000748600 [2,0,0,0,0,0|1,0,1]=4 104 B28R3.695507818 CC=CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000070051 [2,0,0,0,0,0|1,0,0]=3 105 B28R3.695507818 CCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000210211 [2,0,0,0,0,0|1,0,1]=4 106 B28R3.695507818 CCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100020643023_100020610535 [2,0,0,0,0,0|1,0,1]=4 107 B28R3.695507818 CCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100020643023_100020610535 [2,0,0,0,0,0|1,0,1]=4 108 B28R3.695507818 COCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000233755 [2,0,0,0,0,0|1,0,0]=3 109 B28R3.695507818 CSCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000751147 [2,0,0,0,0,0|1,1,0]=4 110 B30R3.2904857036 CC/C=C\CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100015370543 [1,1,0,0,0,0|2,0,0]=4 111 B30R3.2904857036 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCOCCO)NC(=O)Cc3ccccc3)C 1458a_100020610535_100011215305 [1,1,0,0,0,0|1,0,1]=4 112 B30R3.2904857036 CCCCOCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100011995733 [1,1,0,0,0,0|1,0,1]=4 113 B30R3.2904857036 CCCOCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100011215938 [1,1,0,0,0,0|1,0,1]=4 114 B30R3.2904857036 CCOCCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100012232248 [1,1,0,0,0,0|1,0,1]=4 115 B30R3.2904857036 CCOCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 240690a_100011200944_100020610535 [1,1,0,0,0,0|1,0,1]=4 116 B30R3.2904857036 CCOCCNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100011200944_100020610535 [1,1,0,0,0,0|1,0,1]=4 117 B30R3.9675450333 CC(=O)C(=O)CC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100011261029 [0,1,0,0,1,0|1,0,0]=3 118 B30R3.9675450333 C[C@@H](NC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3)C(=O)N 240690a_100000119354_100020610535 [0,1,0,0,1,0|2,0,0]=4 119 B30R3.9675450333 C[C@@H](NC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3)C(=O)N 527a_100000119354_100020610535 [0,1,0,0,1,0|2,0,0]=4 120 B30R3.9675450784 C=C(C)CN(C)C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000225649_100020610535 [0,1,0,0,1,0|2,0,0]=4 121 B30R3.9675450784 CC(=O)OC(C)C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100009818208 [0,1,0,0,1,0|0,0,0]=2 122 B30R3.9675450784 CN(CC(=O)N)C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 527a_100000739694_100020610535 [0,1,0,0,1,0|2,0,0]=4 123 B30R3.9675466543 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCS(=O)(=O)C)NC(=O)Cc3ccccc3)C 1458a_100020610535_100000731031 [0,1,0,0,1,0|2,0,0]=4 124 B30R4.1990454404 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)C3CCOC3)NC(=O)Cc4ccccc4)C 1458a_100020610535_100000690089 [1,0,0,1,0,0|1,0,1]=4 125 B30R4.1990454404 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N3CC=CC3)NC(=O)Cc4ccccc4)C 240690a_100015195280_100020610535 [1,0,0,1,0,0|2,0,0]=4 126 B30R4.1990457299 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CC3CCO3)NC(=O)Cc4ccccc4)C 1458a_100020610535_100000103362 [1,0,0,1,0,0|1,0,1]=4 127 B30R4.2248335420 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)C3CCC3=O)NC(=O)Cc4ccccc4)C 1458a_100020610535_100009892977 [1,0,0,1,0,0|2,0,0]=4 128 B32R4.1164934247 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N3CCNC(=O)C3)NC(=O)Cc4ccccc4)C 240690a_100000184651_100020610535 [0,0,0,1,0,1|2,0,0]=4 129 B32R4.1164934247 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N3CCNC(=O)C3)NC(=O)Cc4ccccc4)C 527a_100000184651_100020610535 [0,0,0,1,0,1|2,0,0]=4 130 B32R4.1164934247 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N3CCOC(=O)C3)NC(=O)Cc4ccccc4)C 240690a_100000131268_100020610535 [0,0,0,1,0,1|1,0,0]=3 131 B32R4.1164934247 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N3CCOC(=O)C3)NC(=O)Cc4ccccc4)C 527a_100000131268_100020610535 [0,0,0,1,0,1|1,0,0]=3 132 B32R4.1788875419 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CC3COC(=O)O3)NC(=O)Cc4ccccc4)C 1458a_100020610535_100000073702 [0,0,0,1,0,1|2,0,0]=4 133 B32R4.1788875419 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)C[C@H]3COC(=O)N3)NC(=O)Cc4ccccc4)C 1458a_100020610535_100015307671 [0,0,0,1,0,1|2,0,0]=4 134 B32R4.1788875419 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NC3CNC(=O)C3)NC(=O)Cc4ccccc4)C 240690a_100000697751_100020610535 [0,0,0,1,0,1|2,0,0]=4 135 B32R4.1788875419 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NC3CNC(=O)C3)NC(=O)Cc4ccccc4)C 527a_100000697751_100020610535 [0,0,0,1,0,1|2,0,0]=4 136 B32R4.1792220501 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)N3CNC(=O)C3)NC(=O)COc4ccccc4)C 240690a_200000708111_100000056101 [0,0,0,1,0,1|2,0,0]=4 137 B32R4.1925734013 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CC3CC(=O)C3)NC(=O)COc4ccccc4)C 1458a_100000056101_100009874392 [0,0,0,1,0,1|2,0,0]=4 138 B32R4.1172343330 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CCC3CCC3=O)NC(=O)Cc4ccccc4)C 1458a_100020610535_200016118888 [0,1,0,1,0,0|2,0,0]=4 139 B32R4.2162067716 COC(=O)C1CN1C(=O)[C@@H]2N3C(=O)[C@H]([C@H]3SC2(C)C)NC(=O)Cc4ccccc4 240690a_200009830135_100020610535 [0,1,0,1,0,0|2,0,0]=4 140 B28R3.2036167074 C=C(C)CC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000748629 [0,0,0,0,2,0|1,0,0]=3 141 B28R3.2036167074 C=C(F)CC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100009893438 [0,0,0,0,2,0|1,0,1]=4 142 B28R3.2036167074 CC(C)CC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100000210624 [0,0,0,0,2,0|1,0,1]=4 143 B28R3.2036167074 CC(O)CC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc3ccccc3 1458a_100020610535_100011218427 [0,0,0,0,2,0|0,0,2]=4 144 B28R3.2036167074 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CC(=O)N)NC(=O)Cc3ccccc3)C 1458a_100020610535_100000187820 [0,0,0,0,2,0|1,0,0]=3 145 B28R3.2036167074 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)CC(=O)[O-])NC(=O)Cc3ccccc3)C 1458a_100020610535_100020667443 [0,0,0,0,2,0|1,0,0]=3 146 B28R3.2036167074 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)C[N+](=O)[O-])NC(=O)Cc3ccccc3)C 1458a_100020610535_100000761209 [0,0,0,0,2,0|2,0,0]=4 147 B30R3.2548685498 C=COCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 1458a_100000056101_100000039644 [1,0,0,0,0,1|1,0,1]=4 148 B30R3.2548685498 CCOCCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 1458a_100000056101_100011215890 [1,0,0,0,0,1|1,0,1]=4 149 B30R3.9675465324 C=C(C)CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 1458a_100000056101_100000730704 [0,0,0,0,1,1|2,0,0]=4 150 B30R3.9675465324 C=C(C)CNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 240690a_100000765925_100000056101 [0,0,0,0,1,1|2,0,0]=4 151 B30R3.9675465324 CC(=CCC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3)C 1458a_100000056101_100000761012 [0,0,0,0,1,1|2,0,0]=4 152 B30R3.9675465324 CC(=O)NNC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc3ccccc3 22a_100000189765_100000056101 [0,0,0,0,1,1|2,0,0]=4 153 B30R3.9675465324 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)NCC(=O)N)NC(=O)COc3ccccc3)C 240690a_100000711301_100000056101 [0,0,0,0,1,1|2,0,0]=4