pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.58	IUPAC digitized pKa	0	-1	[NH3+]c1ncccc1C(=O)[O-],Nc1[nH+]cccc1C(=O)[O-]	Nc1ncccc1C(=O)[O-]	mol3606	Nc1ncccc1C(=O)O
6.54	IUPAC digitized pKa	0	-1	[NH3+]c1ncccc1C(=O)[O-],Nc1[nH+]cccc1C(=O)[O-]	Nc1ncccc1C(=O)[O-]	mol3606	Nc1ncccc1C(=O)O
6.59	Datawarrior	0	-1	[NH3+]c1ncccc1C(=O)[O-],Nc1[nH+]cccc1C(=O)[O-]	Nc1ncccc1C(=O)[O-]	mol3606	Nc1ncccc1C(=O)O
6.5900002	OCHEM	0	-1	[NH3+]c1ncccc1C(=O)[O-],Nc1[nH+]cccc1C(=O)[O-]	Nc1ncccc1C(=O)[O-]	mol3606	Nc1ncccc1C(=O)O
6.59000015258789	QSARToolbox	0	-1	[NH3+]c1ncccc1C(=O)[O-],Nc1[nH+]cccc1C(=O)[O-]	Nc1ncccc1C(=O)[O-]	mol3606	Nc1ncccc1C(=O)O
2.4	IUPAC digitized pKa	1	0	[NH3+]c1ncccc1C(=O)O,Nc1[nH+]cccc1C(=O)O	[NH3+]c1ncccc1C(=O)[O-],Nc1[nH+]cccc1C(=O)[O-]	mol3606	Nc1ncccc1C(=O)O
2.25	IUPAC digitized pKa	1	0	[NH3+]c1ncccc1C(=O)O,Nc1[nH+]cccc1C(=O)O	[NH3+]c1ncccc1C(=O)[O-],Nc1[nH+]cccc1C(=O)[O-]	mol3606	Nc1ncccc1C(=O)O