pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1199999	OCHEM	1	0	O=[N+]([O-])c1ccc(C=[NH+]c2ncccn2)cc1,O=[N+]([O-])c1ccc(C=Nc2nccc[nH+]2)cc1	O=[N+]([O-])c1ccc(C=Nc2ncccn2)cc1	mol32600	O=[N+]([O-])c1ccc(C=Nc2ncccn2)cc1
3.11999988555908	QSARToolbox	1	0	O=[N+]([O-])c1ccc(C=[NH+]c2ncccn2)cc1,O=[N+]([O-])c1ccc(C=Nc2nccc[nH+]2)cc1	O=[N+]([O-])c1ccc(C=Nc2ncccn2)cc1	mol32600	O=[N+]([O-])c1ccc(C=Nc2ncccn2)cc1