0 B36R3.18247225285 NC1=NC(=C2C(=N1)NCC(N2C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-])O MCULE-8534376696 [0,0,0,0,0,0|0,0,4]=4 1 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NCC(N2C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-2077919807 [0,0,0,0,0,0|0,0,0]=0 2 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NCC(N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4038746402 [0,0,0,0,0,0|0,0,0]=0 3 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NCC(N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-1891009514 [0,0,0,0,0,0|0,0,2]=2 4 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NCC(N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-2354652687 [0,0,0,0,0,0|0,0,2]=2 5 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NCC(N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-5394229957 [0,0,0,0,0,0|0,0,2]=2 6 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NC[C@@H](N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-9660913532 [0,0,0,0,0,0|0,0,0]=0 7 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NC[C@@H](N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-1227580954 [0,0,0,0,0,0|0,0,2]=2 8 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NC[C@@H](N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-1499784734 [0,0,0,0,0,0|0,0,2]=2 9 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NC[C@@H](N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-7934610627 [0,0,0,0,0,0|0,0,2]=2 10 B36R3.18247225285 NC1=NC(=O)C2=C(N1)NC[C@H](N2C=O)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-7784092394 [0,0,0,0,0,0|0,0,0]=0 11 B36R3.18247225285 NC1=NC(=O)C2C(N1)NCC(N2C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-] MCULE-8442109089 [0,0,0,0,0,0|0,0,4]=4 12 B36R3.18247225285 NC1=NC(=O)C2C(N1)NCC(N2C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-] MCULE-9725788010 [0,0,0,0,0,0|0,0,4]=4 13 B36R3.18247225285 NC1=NC2=C(C(=O)N1)N(C(CN2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-])C=O MCULE-8319840019 [0,0,0,0,0,0|0,0,4]=4 14 B36R3.18247225285 NC1=NC2=C(C(=O)N1)N(C(CN2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=O MCULE-6876833663 [0,0,0,0,0,0|0,0,2]=2 15 B36R3.18247225285 NC1=NC2=C(C(=O)N1)N([C@@H](CN2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=O MCULE-5270742619 [0,0,0,0,0,0|0,0,2]=2 16 B35R3.4834642635 CN1C2=C(N=C(NC2=O)N)NCC1CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-8321188579 [1,0,0,0,0,0|0,0,3]=4 17 B35R3.4834642635 CN1C2=C(N=C(NC2=O)N)NC[C@@H]1CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2138661539 [1,0,0,0,0,0|0,0,3]=4 18 B35R3.4834642635 CN1C2=C(N=C(NC2=O)N)NC[C@@H]1CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7655023065 [1,0,0,0,0,0|0,0,3]=4 19 B35R3.4834642635 CN1C2=C(NCC1CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=NC2=O)N MCULE-3774060035 [1,0,0,0,0,0|0,0,1]=2 20 B35R3.4834642635 CN1C2=C(NCC1CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=NC2=O)N MCULE-4025455747 [1,0,0,0,0,0|0,0,1]=2 21 B35R3.4834642635 CN1C2=C(NCC1CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NC(=NC2=O)N MCULE-1313046143 [1,0,0,0,0,0|0,0,3]=4 22 B35R3.4834642635 CN1C2=C(NC[C@@H]1CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NC(=NC2=O)N MCULE-7986937036 [1,0,0,0,0,0|0,0,3]=4 23 B37R4.4463654921 NC1=NC(=O)C2=C(N1)NCC3N2C(=O)N(C3)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O MCULE-8109969891 [0,0,0,1,0,0|0,0,0]=1 24 B37R4.4463654921 NC1=NC(=O)C2=C(N1)NCC3N2C(=O)N(C3)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6777136947 [0,0,0,1,0,0|0,0,0]=1 25 B37R4.4463654921 NC1=NC2=C(C(=O)N1)N3C(=O)N(CC3CN2)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8492097480 [0,0,0,1,0,0|0,0,2]=3 26 B34R3.3454851072 NC1=NC(=C2NC(CN=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-1267383042 [2,0,0,0,0,0|1,0,1]=4 27 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 [2,0,0,0,0,0|0,0,0]=2 28 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 [2,0,0,0,0,0|0,0,0]=2 29 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 [2,0,0,0,0,0|2,0,0]=4 30 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 [2,0,0,0,0,0|0,0,0]=2 31 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 [2,0,0,0,0,0|0,0,0]=2 32 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 [2,0,0,0,0,0|0,0,0]=2 33 B34R3.3454851072 NC1=NC(=O)C2N[C@H](CNC2=N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7360442237 [2,0,0,0,0,0|0,0,2]=4 34 B34R3.3454851072 NC1=NC2=C(NC(CN2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1 MCULE-6697615733 [2,0,0,0,0,0|0,0,2]=4 35 B34R3.3454851072 NC1=NC2=C(NC(CN2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1 MCULE-3492172190 [2,0,0,0,0,0|0,0,2]=4 36 B36R4.6900450476 NC1=NC(=O)C2=C(N1)NC[C@H]3N2C=[N+](C3)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-6848533858 [1,0,0,1,0,0|0,0,2]=4 37 B36R4.6900450476 NC1=NC(=O)C2=C(N1)NC[C@H]3N2C=[N+](C3)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-8398165810 [1,0,0,1,0,0|0,0,2]=4 38 B36R4.6900450476 NC1=NC(=O)C2=C(N1)NC[C@H]3N2CN(C3)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6610250366 [1,0,0,1,0,0|0,0,1]=3 39 B36R4.6900450476 [C@@H](CCC(=O)O)(NC(=O)C1=CC=C(C=C1)N2CC3CNC4=C(N3C2)C(=O)N=C(N4)N)C(=O)O MCULE-4039045049 [1,0,0,1,0,0|0,0,1]=3