CC1=Nc2c(nc([O-])n(C)c2=O)[NH+](CCCO)[C@@H]1C    mol8225    0_1
CC1=[NH+]c2c(nc([O-])n(C)c2=O)N(CCCO)[C@@H]1C    mol8225    0_2
CC1=Nc2c(nc(O)n(C)c2=O)N(CCCO)[C@@H]1C    mol8225    0_3
CC1=Nc2c(nc(O)n(C)c2=O)[NH+](CCCO)[C@@H]1C    mol8225    1_1
CC1=Nc2c([nH+]c(O)n(C)c2=O)N(CCCO)[C@@H]1C    mol8225    1_2
CC1=[NH+]c2c(nc(O)n(C)c2=O)N(CCCO)[C@@H]1C    mol8225    1_3
CC1=[NH+]c2c(nc([O-])n(C)c2=O)[NH+](CCCO)[C@@H]1C    mol8225    1_4
CC1=[NH+]c2c([nH+]c(O)n(C)c2=O)N(CCCO)[C@@H]1C    mol8225    2_1
CC1=[NH+]c2c(nc(O)n(C)c2=O)[NH+](CCCO)[C@@H]1C    mol8225    2_2
CC1=Nc2c([nH+]c(O)n(C)c2=O)[NH+](CCCO)[C@@H]1C    mol8225    2_3
CC1=Nc2c(nc([O-])n(C)c2=O)N(CCC[O-])[C@@H]1C    mol8225    -2_1
CC1=Nc2c(nc([O-])n(C)c2=O)N(CCCO)[C@@H]1C    mol8225    -1_1