pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89	IUPAC digitized pKa	0	-1	COC(=O)[C@@H](N)Cc1ccc(O)cc1	COC(=O)[C@@H](N)Cc1ccc([O-])cc1	mol8594	COC(=O)[C@@H](N)Cc1ccc(O)cc1
9.73	AttenGpKa training set	0	-1	COC(=O)[C@@H](N)Cc1ccc(O)cc1	COC(=O)[C@@H](N)Cc1ccc([O-])cc1	mol8594	COC(=O)[C@@H](N)Cc1ccc(O)cc1
7.09	IUPAC digitized pKa	1	0	COC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	COC(=O)[C@@H](N)Cc1ccc(O)cc1	mol8594	COC(=O)[C@@H](N)Cc1ccc(O)cc1
7.04	AttenGpKa training set	1	0	COC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	COC(=O)[C@@H](N)Cc1ccc(O)cc1	mol8594	COC(=O)[C@@H](N)Cc1ccc(O)cc1