0 B35R3.2202630712 CC(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6413730634 [0,0,0,0,0,0|1,0,0]=1 1 B35R3.2202630712 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6974182260 [0,0,0,0,0,0|1,0,0]=1 2 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2857428714 [0,0,0,0,0,0|0,0,0]=0 3 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-1613320230 [0,0,0,0,0,0|0,0,1]=1 4 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)O MCULE-7316135330 [0,0,0,0,0,0|0,0,1]=1 5 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-4647497000 [0,0,0,0,0,0|0,0,2]=2 6 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-7892846158 [0,0,0,0,0,0|0,0,2]=2 7 B35R3.2202630712 CN(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-3234195945 [0,0,0,0,0,0|0,0,0]=0 8 B35R3.2202630712 CN(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-7826660553 [0,0,0,0,0,0|0,0,1]=1 9 B35R3.2202630712 CN(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-] MCULE-2579968152 [0,0,0,0,0,0|0,0,2]=2 10 B35R3.2202630712 CN(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6523054194 [0,0,0,0,0,0|0,0,0]=0 11 B35R3.2202630712 CN(CC1=NC2=C(N=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-1245907778 [0,0,0,0,0,0|1,0,1]=2 12 B35R3.2202630712 CN(CC1=NC2=C(N=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8524921670 [0,0,0,0,0,0|1,0,1]=2 13 B35R3.2202630712 CN(CC1CNC2=C(N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7915735515 [0,0,0,0,0,0|0,0,4]=4 14 B34R3.2870406767 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCN)C(=O)O MCULE-5356920200 [1,0,0,0,0,0|1,0,1]=3 15 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-2244278016 [1,0,0,0,0,0|1,0,0]=2 16 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N MCULE-8299609975 [1,0,0,0,0,0|0,0,0]=1 17 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)[O-])N MCULE-8925607894 [1,0,0,0,0,0|0,0,1]=2 18 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-1069912015 [1,0,0,0,0,0|0,0,0]=1 19 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-2354008660 [1,0,0,0,0,0|0,0,0]=1 20 B34R3.3454851072 NC1=NC(=O)C2=C(N1)N=CC(=N2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7474091744 [1,0,0,0,0,0|1,0,1]=3 21 B34R3.3454851072 NC1=NC(=O)C2=NC(=CC=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4907674207 [1,0,0,0,0,0|2,0,1]=4 22 B34R3.3454851072 NC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-6405521916 [1,0,0,0,0,0|1,0,2]=4 23 B34R3.3454851072 NC1=NC(=O)C2=NC(=CN=C2N1)CSC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2223434182 [1,0,0,0,0,0|2,0,1]=4 24 B34R3.3454851072 NC1=NC(C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-7038860131 [1,0,0,0,0,0|0,0,2]=3 25 B34R3.3454851072 NC1=NC2=C(C=C(C=C2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=N1)N MCULE-2100742168 [1,0,0,0,0,0|2,0,0]=3 26 B34R3.3454851072 NC1=NC2=NC=C(C=C2C(=N1)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4760378978 [1,0,0,0,0,0|2,0,0]=3 27 B34R3.3454851072 NC1=NC2=NC=C(N=C2C(=N1)O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-3509109723 [1,0,0,0,0,0|1,0,0]=2 28 B34R3.3454851072 [C@@H](CCC(=O)O)(NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C2)N=C(N=C3O)N)C(=O)O MCULE-1208976029 [1,0,0,0,0,0|1,0,0]=2 29 B36R3.5678879766 CC(C1=CN=C2N=C(N=C(C2=N1)N)N)N(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-9973899309 [0,1,0,0,0,0|0,0,0]=1 30 B36R3.5678879766 CC(C1=NC2=C(N=C1)NC(=NC2=O)N)N(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7362934600 [0,1,0,0,0,0|1,0,1]=3 31 B36R3.7852247315 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)CCl)C(=O)O MCULE-1308064758 [0,1,0,0,0,0|1,0,0]=2 32 B36R3.7852247315 COC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3N=C(N=C(C3=N2)N)N)C(=O)O MCULE-1497807824 [0,1,0,0,0,0|0,0,0]=1 33 B36R3.7852247315 COC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C(N=C3N=C2)N)N)C(=O)O MCULE-8555503951 [0,1,0,0,0,0|0,0,0]=1 34 B36R3.12284678226 CN(CC1=NC2=C(N=C(N=C2N)N)N=C1O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6059823779 [0,1,0,0,0,0|0,0,0]=1 35 B36R3.12284678226 CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8288989503 [0,1,0,0,0,0|0,0,1]=2 36 B36R3.12411075094 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8681423907 [0,1,0,0,0,0|0,0,0]=1 37 B36R3.13912542520 NC1=NC(=O)C2=NC(=CN=C2N1)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-9962838974 [0,1,0,0,0,0|1,0,2]=4 38 B36R3.13912542520 NC1=NC2=C(N=C(C=N2)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1 MCULE-5410519471 [0,1,0,0,0,0|1,0,2]=4 39 B36R3.13912542520 NC1=NC2=NC=C(N=C2C(=O)N1)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4112735773 [0,1,0,0,0,0|1,0,2]=4 40 B36R3.14631542133 COC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C(N=C3N=C2)N)N MCULE-8377922886 [0,1,0,0,0,0|0,0,0]=1 41 B36R3.14631542133 COC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C(N=C3N=C2)N)N MCULE-1055024562 [0,1,0,0,0,0|0,0,0]=1 42 B36R3.14631542133 COC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C2)N=C(N=C3N)N MCULE-7246795241 [0,1,0,0,0,0|0,0,0]=1 43 B34R3.3454814589 CN(C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C2=CN=C3N=C(N=C(C3=N2)N)N MCULE-6101707133 [0,0,0,0,1,0|0,0,1]=2 44 B34R3.3454814589 CN(C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C2=CN=C3N=C(N=C(C3=N2)N)N MCULE-9757751834 [0,0,0,0,1,0|0,0,1]=2 45 B34R3.3456281207 CN(CC1=NC2=C(N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7275160450 [0,0,0,0,1,0|0,0,1]=2 46 B35R3.1735007115 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCCN)C(=O)O MCULE-3474944953 [1,1,0,0,0,0|1,0,1]=4 47 B35R3.1735007115 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCCN)C(=O)O MCULE-1661754115 [1,1,0,0,0,0|1,0,1]=4 48 B35R3.1317093260 COC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C2)NC(=NC3=O)N)C(=O)O MCULE-2913641076 [1,1,0,0,0,0|1,0,1]=4 49 B35R3.2202618018 CC(NC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C2=CN=C3N=C(N=C(C3=N2)O)N MCULE-3414871279 [1,1,0,0,0,0|1,0,0]=3 50 B35R3.3548679191 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-1036313284 [1,1,0,0,0,0|0,0,0]=2 51 B35R3.3548680200 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C(=C3)F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-9332785329 [1,1,0,0,0,0|0,0,0]=2 52 B35R3.4834642635 CC1=C(C=CC2=NC(=NC(=C12)N)N)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-4023416734 [1,1,0,0,0,0|2,0,0]=4 53 B37R3.3430482938 COC1=CC(=CC=C1N(C)CC2=CN=C3N=C(N=C(C3=N2)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-1092742225 [0,2,0,0,0,0|0,0,0]=2 54 B37R3.7459861937 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=C(C=C(C=C3Br)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl MCULE-9111887120 [0,2,0,0,0,0|0,0,0]=2 55 B37R3.7459861937 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=C(C=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl MCULE-7915725000 [0,2,0,0,0,0|0,0,0]=2 56 B37R3.7459862997 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC(=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl MCULE-2287098685 [0,2,0,0,0,0|0,0,0]=2 57 B37R3.3036549860 C#CCC(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-7109818732 [0,2,0,0,0,0|1,0,0]=3 58 B37R3.3036549860 C#CCC(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8251753919 [0,2,0,0,0,0|1,0,0]=3 59 B37R3.3036549860 C#CCC(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6988581000 [0,2,0,0,0,0|1,0,0]=3 60 B37R3.3036549860 C#CC[C@@H](CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6873947165 [0,2,0,0,0,0|1,0,0]=3 61 B37R3.3036549860 C#CC[C@H](CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-1581959542 [0,2,0,0,0,0|1,0,0]=3 62 B33R3.846650237 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O)N MCULE-4251498352 [1,0,0,0,1,0|0,0,0]=2 63 B35R3.2202633657 NC1=NC(=C2N=C(C=NC2=N1)CCOC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-9514905506 [1,0,0,0,0,1|1,0,0]=3 64 B35R3.2202633657 NC1=NC(=C2N=C(C=NC2=N1)CCSC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-9268597919 [1,0,0,0,0,1|1,0,0]=3 65 B35R3.2202633657 NC1=NC(=O)C2=NC(=CN=C2N1)CCNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8210438697 [1,0,0,0,0,1|1,0,1]=4 66 B35R3.3548679199 [C@H](CCC(=O)O)(CC(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3N=C(N=C(C3=N2)O)N MCULE-9879752694 [1,0,0,0,0,1|1,0,0]=3 67 B35R3.2202379123 CN(CC1=NC2=NC(=NC(=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-3851965667 [0,0,0,0,1,1|0,0,0]=2