pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.87	OCHEM	0	-1	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-]	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)[O-]	mol31835	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O
3.19	OCHEM	1	0	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)O	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-]	mol31835	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O