pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	AttenGpKa training set	0	-1	Nc1ccc2ccc(O)cc2c1	Nc1ccc2ccc([O-])cc2c1	mol3532	Nc1ccc2ccc(O)cc2c1
4.25	IUPAC digitized pKa	1	0	[NH3+]c1ccc2ccc(O)cc2c1	Nc1ccc2ccc(O)cc2c1	mol3532	Nc1ccc2ccc(O)cc2c1
3.925	AttenGpKa training set	1	0	[NH3+]c1ccc2ccc(O)cc2c1	Nc1ccc2ccc(O)cc2c1	mol3532	Nc1ccc2ccc(O)cc2c1