pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.17	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1	O=[N+]([O-])c1ccc(-c2cnc([O-])nc2)cc1	mol1622	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1
7.87	OCHEM	0	-1	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1	O=[N+]([O-])c1ccc(-c2cnc([O-])nc2)cc1	mol1622	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1
8.17000007629395	QSARToolbox	0	-1	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1	O=[N+]([O-])c1ccc(-c2cnc([O-])nc2)cc1	mol1622	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1
1.41999995708466	QSARToolbox	1	0	O=[N+]([O-])c1ccc(-c2cnc(O)[nH+]c2)cc1	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1	mol1622	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1