COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1    mol8555    0_1
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1    mol8555    1_1
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c[nH+]1    mol8555    1_2
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH]c[nH+]1    mol8555    2_1
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[n-]cn1    mol8555    -1_1