0 B33R3.1950035190 NC1=NC(=O)C2=C(N1)NC=C2CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-5236609712 [0,0,0,0,0,0|0,0,0]=0 1 B33R3.1950035190 NC1=NC(=O)C2=C(N1)NC=C2CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-4465464660 [0,0,0,0,0,0|0,0,2]=2 2 B33R3.1950035190 NC1=NC(=O)C2=C(N1)NC[C@@H]2CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6688591604 [0,0,0,0,0,0|0,0,2]=2 3 B33R3.1950035190 NC1=NC2=C(C(=CN2)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O)C(=N1)[O-] MCULE-8138171723 [0,0,0,0,0,0|0,0,3]=3 4 B33R3.1950035190 NC1=NC2=C(C(=O)N1)C(=CN2)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-5697781173 [0,0,0,0,0,0|0,0,2]=2 5 B33R3.1950035190 NC1=NC2=C(C(=O)N1)C(=CN2)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8929641408 [0,0,0,0,0,0|0,0,2]=2 6 B33R3.1950035190 NC1=NC2=C(C(=O)N1)C(=CN2)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-3685131786 [0,0,0,0,0,0|0,0,4]=4 7 B33R3.1950035190 NC1=NC2=C(C(=O)N1)C(=CN2)CCC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-3512071902 [0,0,0,0,0,0|0,0,2]=2 8 B33R3.1950035190 NC1=NC2=C(C(=O)N1)C(=CN2)CCC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-6687326226 [0,0,0,0,0,0|0,0,2]=2 9 B33R3.1950035190 NC1=NC2=C(C(=O)N1)C(=CN2)CCC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] MCULE-5119754916 [0,0,0,0,0,0|0,0,4]=4 10 B33R3.1950035190 [C@H](CCC(=O)[O-])(NC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)[O-] MCULE-3279260367 [0,0,0,0,0,0|0,0,4]=4 11 B34R3.6043571840 NC1=NC(=O)C2=C(N1)NC(=O)C2CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-1622056606 [0,1,0,0,0,0|0,0,1]=2 12 B34R3.3262311717 NC1=NC(=C2C(=CN=C2N1)CCCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-3292671830 [0,0,0,0,0,1|1,0,1]=3 13 B34R3.3262311717 NC1=NC(=C2C(=CN=C2N1)CCCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-9213128773 [0,0,0,0,0,1|1,0,1]=3 14 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 [0,0,0,0,0,1|1,0,2]=4 15 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 [0,0,0,0,0,1|1,0,1]=3 16 B34R3.3454851072 NC1=NC(=O)C2=C(N1)NCC(N2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-5464433376 [0,0,0,0,0,1|1,0,2]=4 17 B34R3.3454851072 NC1=NC(=O)C2=C(N1)NCC(N2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-9332992453 [0,0,0,0,0,1|1,0,2]=4 18 B34R3.3454851072 NC1=NC(=O)C2=C(N1)NC[C@@H](C2)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-3942276723 [0,0,0,0,0,1|0,0,2]=3 19 B34R3.3454851072 NC1=NC(=O)C2=C(N1)NC[C@@H](N2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-1113025815 [0,0,0,0,0,1|1,0,2]=4 20 B34R3.3454851072 NC1=NC(=O)C2=C(N1)NC[C@H](N2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2069013580 [0,0,0,0,0,1|1,0,2]=4 21 B34R3.3454851072 NC1=NC(=O)C2=C(N1)NC[C@H](N2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7855686395 [0,0,0,0,0,1|1,0,2]=4 22 B34R3.3454851072 NC1=NC(=O)C2=CC(=CC=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7267973978 [0,0,0,0,0,1|2,0,0]=3 23 B34R3.3454851072 NC1=NC(=O)C2=CC(=CN=C2N1)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6110612186 [0,0,0,0,0,1|0,0,1]=2 24 B34R3.3454851072 NC1=NC(=O)C2=CC(=CN=C2N1)NCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4750683216 [0,0,0,0,0,1|1,0,1]=3 25 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 [0,0,0,0,0,1|2,0,0]=3 26 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 [0,0,0,0,0,1|1,0,2]=4 27 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 [0,0,0,0,0,1|1,0,1]=3 28 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 [0,0,0,0,0,1|1,0,2]=4 29 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 [0,1,0,0,0,1|1,0,1]=4 30 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 [0,1,0,0,0,1|1,0,1]=4 31 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 [0,1,0,0,0,1|1,0,1]=4 32 B35R3.2202633657 NC1=NC(=O)C2=C(N1)NCC(=N2)CCNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-5061439048 [0,0,0,0,0,2|0,0,1]=3 33 B35R3.2202633657 NC1=NC(=O)C2=NC(=CC=C2N1)CCNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-3404299664 [0,0,0,0,0,2|1,0,0]=3 34 B35R3.2202633657 NC1=NC(=O)C2=NC(=CN=C2N1)CCCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2844157004 [0,0,0,0,0,2|0,0,1]=3 35 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 [0,0,0,0,0,2|0,0,1]=3 36 B35R3.2202633657 NC1=NC(=O)C2=NC(=CN=C2N1)CCOC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-3885919295 [0,0,0,0,0,2|0,0,1]=3