COC(=O)[C@H](N)Cc1c[nH]cn1    mol12711    0_1
COC(=O)[C@H](N)Cc1c[nH]c[nH+]1    mol12711    1_1
COC(=O)[C@H]([NH3+])Cc1c[nH]cn1    mol12711    1_2
COC(=O)[C@H]([NH3+])Cc1c[nH]c[nH+]1    mol12711    2_1