pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	IUPAC digitized pKa	0	-1	Nc1ccc(O)cc1O	Nc1ccc(O)cc1[O-],Nc1ccc([O-])cc1O	mol3344	Nc1ccc(O)cc1O
9.16	IUPAC digitized pKa	0	-1	Nc1ccc(O)cc1O	Nc1ccc(O)cc1[O-],Nc1ccc([O-])cc1O	mol3344	Nc1ccc(O)cc1O
9.3000002	OCHEM	0	-1	Nc1ccc(O)cc1O	Nc1ccc(O)cc1[O-],Nc1ccc([O-])cc1O	mol3344	Nc1ccc(O)cc1O
9.30000019073486	QSARToolbox	0	-1	Nc1ccc(O)cc1O	Nc1ccc(O)cc1[O-],Nc1ccc([O-])cc1O	mol3344	Nc1ccc(O)cc1O
5.7	IUPAC digitized pKa	1	0	[NH3+]c1ccc(O)cc1O	Nc1ccc(O)cc1O	mol3344	Nc1ccc(O)cc1O
7.91	IUPAC digitized pKa	1	0	[NH3+]c1ccc(O)cc1O	Nc1ccc(O)cc1O	mol3344	Nc1ccc(O)cc1O
5.6999998	OCHEM	1	0	[NH3+]c1ccc(O)cc1O	Nc1ccc(O)cc1O	mol3344	Nc1ccc(O)cc1O
5.69999980926514	QSARToolbox	1	0	[NH3+]c1ccc(O)cc1O	Nc1ccc(O)cc1O	mol3344	Nc1ccc(O)cc1O
11.3	IUPAC digitized pKa	-1	-2	Nc1ccc(O)cc1[O-],Nc1ccc([O-])cc1O	Nc1ccc([O-])cc1[O-]	mol3344	Nc1ccc(O)cc1O
11.24	IUPAC digitized pKa	-1	-2	Nc1ccc(O)cc1[O-],Nc1ccc([O-])cc1O	Nc1ccc([O-])cc1[O-]	mol3344	Nc1ccc(O)cc1O
11.3000001907349	QSARToolbox	-1	-2	Nc1ccc(O)cc1[O-],Nc1ccc([O-])cc1O	Nc1ccc([O-])cc1[O-]	mol3344	Nc1ccc(O)cc1O