pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.26	IUPAC digitized pKa	1	0	COc1ccc([C@@H](O)C[NH2+]C(C)C)cc1	COc1ccc([C@@H](O)CNC(C)C)cc1	mol6216	COc1ccc(C(O)CNC(C)C)cc1