0  B29R2.8499093674  CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)[O-])C2=CSC(=N2)N MCULE-1452784760 [0,0,0,0,0,0|0,0,1]=1
1  B29R2.8499093674  CC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)[NH3+] MCULE-6441053363 [0,0,0,0,0,0|0,0,2]=2
2  B29R2.8499093674  C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C2=CSC(=N2)N MCULE-8991691924 [0,0,0,0,0,0|0,0,0]=0
3  B29R2.8499093674  C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/C2=CSC(=N2)N MCULE-3979348487 [0,0,0,0,0,0|0,0,0]=0
4  B29R2.8499093674  C[C@H]1[C@@H](C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)[NH3+] MCULE-5684719456 [0,0,0,0,0,0|0,0,2]=2
5  B29R2.8499093674  C[C@H]1[C@@H](C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)[NH3+] MCULE-9550255658 [0,0,0,0,0,0|0,0,2]=2
6  B30R2.244683906  CC(C)(ON=C(C(=O)N[C@@H]1C(=O)N([C@@H]1CF)S(=O)(=O)O)C2=CSC(=N2)N)C(=O)O MCULE-1162835111 [0,1,0,0,0,0|0,0,0]=1
7  B31R2.2573667523  CC(C)(ON=C(C(=O)N[C@@H]1C(=O)N(C1(C)C)OS(=O)(=O)O)C2=CSC(=N2)N)C(=O)O MCULE-8580035613 [0,1,0,0,0,1|0,0,0]=2
8  B31R3.2785894875  NC1=NC(=CS1)C(=NOC2(CC2)C(=O)O)C(=O)N[C@H]3C(=O)N([C@@H]3CF)S(=O)(=O)O MCULE-4752058177 [0,1,0,1,0,0|0,0,0]=2