pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.64	IUPAC digitized pKa	0	-1	[NH3+]Cc1ccc(C(=O)[O-])cc1	NCc1ccc(C(=O)[O-])cc1	mol5332	NCc1ccc(C(=O)O)cc1
9.6400003	OCHEM	0	-1	[NH3+]Cc1ccc(C(=O)[O-])cc1	NCc1ccc(C(=O)[O-])cc1	mol5332	NCc1ccc(C(=O)O)cc1
3.59	IUPAC digitized pKa	1	0	[NH3+]Cc1ccc(C(=O)O)cc1	[NH3+]Cc1ccc(C(=O)[O-])cc1	mol5332	NCc1ccc(C(=O)O)cc1
3.5899999	OCHEM	1	0	[NH3+]Cc1ccc(C(=O)O)cc1	[NH3+]Cc1ccc(C(=O)[O-])cc1	mol5332	NCc1ccc(C(=O)O)cc1
3.58999991416931	QSARToolbox	1	0	[NH3+]Cc1ccc(C(=O)O)cc1	[NH3+]Cc1ccc(C(=O)[O-])cc1	mol5332	NCc1ccc(C(=O)O)cc1
3.635	AttenGpKa training set	1	0	[NH3+]Cc1ccc(C(=O)O)cc1	[NH3+]Cc1ccc(C(=O)[O-])cc1	mol5332	NCc1ccc(C(=O)O)cc1