pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.192	IUPAC digitized pKa	0	-1	[NH3+]c1c(O)cccc1C(=O)[O-],Nc1c(O)cccc1C(=O)O	Nc1c(O)cccc1C(=O)[O-]	mol5255	Nc1c(O)cccc1C(=O)O
5.19	IUPAC digitized pKa	0	-1	[NH3+]c1c(O)cccc1C(=O)[O-],Nc1c(O)cccc1C(=O)O	Nc1c(O)cccc1C(=O)[O-]	mol5255	Nc1c(O)cccc1C(=O)O
5.19999980926514	QSARToolbox	0	-1	[NH3+]c1c(O)cccc1C(=O)[O-],Nc1c(O)cccc1C(=O)O	Nc1c(O)cccc1C(=O)[O-]	mol5255	Nc1c(O)cccc1C(=O)O
5.2	AttenGpKa training set	0	-1	[NH3+]c1c(O)cccc1C(=O)[O-],Nc1c(O)cccc1C(=O)O	Nc1c(O)cccc1C(=O)[O-]	mol5255	Nc1c(O)cccc1C(=O)O
1.99	OCHEM	1	0	[NH3+]c1c(O)cccc1C(=O)O	[NH3+]c1c(O)cccc1C(=O)[O-],Nc1c(O)cccc1C(=O)O	mol5255	Nc1c(O)cccc1C(=O)O
2.5	AttenGpKa training set	1	0	[NH3+]c1c(O)cccc1C(=O)O	[NH3+]c1c(O)cccc1C(=O)[O-],Nc1c(O)cccc1C(=O)O	mol5255	Nc1c(O)cccc1C(=O)O
10.118	IUPAC digitized pKa	-1	-2	Nc1c(O)cccc1C(=O)[O-]	Nc1c([O-])cccc1C(=O)[O-]	mol5255	Nc1c(O)cccc1C(=O)O
10.1	IUPAC digitized pKa	-1	-2	Nc1c(O)cccc1C(=O)[O-]	Nc1c([O-])cccc1C(=O)[O-]	mol5255	Nc1c(O)cccc1C(=O)O
10.12	OCHEM	-1	-2	Nc1c(O)cccc1C(=O)[O-]	Nc1c([O-])cccc1C(=O)[O-]	mol5255	Nc1c(O)cccc1C(=O)O
10.09	AttenGpKa training set	-1	-2	Nc1c(O)cccc1C(=O)[O-]	Nc1c([O-])cccc1C(=O)[O-]	mol5255	Nc1c(O)cccc1C(=O)O