CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])n1    mol512    0_1
CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1    mol512    0_2
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1    mol512    0_3
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1    mol512    0_4
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)[nH+]1    mol512    0_5
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)[nH+]n3C)CS[C@H]12)c1csc(N)n1    mol512    0_6
CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1    mol512    0_7
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc([NH3+])n1    mol512    0_8
CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1    mol512    0_9
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)[nH+]1    mol512    0_10
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])[nH+]1    mol512    0_11
CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)[nH+]1    mol512    0_12
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)[nH+]1    mol512    0_13
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])n1    mol512    0_14
CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])n1    mol512    0_15
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1    mol512    0_16
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)[nH+]1    mol512    -1_1
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1    mol512    -1_2
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])n1    mol512    -1_3
CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1    mol512    -1_4
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1    mol512    -1_5
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1    mol512    -1_6