pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	IUPAC digitized pKa	0	-1	COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)C[NH3+]	COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CN	mol11730	COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CN