pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.967	IUPAC digitized pKa	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
10.01	IUPAC digitized pKa	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
9.71	IUPAC digitized pKa	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
9.7	IUPAC digitized pKa	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
9.96	IUPAC digitized pKa	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
9.66	IUPAC digitized pKa	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
9.75	IUPAC digitized pKa	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
10.05	IUPAC digitized pKa	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
9.97000026702881	QSARToolbox	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
9.975	AttenGpKa training set	0	-1	Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
4.781	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.84	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.72	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.7	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.74	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.65	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.55	Datawarrior	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.5500002	OCHEM	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.7605	OCHEM	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O
4.78	AttenGpKa training set	1	0	[NH3+]c1ccccc1O	Nc1ccccc1O	mol3356	Nc1ccccc1O