pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.30999994277954	QSARToolbox	0	-1	O=C(O)c1ccccc1N=Nc1ccc(O)cc1	O=C([O-])c1ccccc1N=Nc1ccc(O)cc1	mol33091	O=C(O)c1ccccc1N=Nc1ccc(O)cc1
3.66000008583069	QSARToolbox	1	0	O=C(O)c1ccccc1[NH+]=Nc1ccc(O)cc1,O=C(O)c1ccccc1N=[NH+]c1ccc(O)cc1,O=C([O-])c1ccccc1[NH+]=[NH+]c1ccc(O)cc1	O=C(O)c1ccccc1N=Nc1ccc(O)cc1	mol33091	O=C(O)c1ccccc1N=Nc1ccc(O)cc1
-1.26	OCHEM	2	1	O=C(O)c1ccccc1[NH+]=[NH+]c1ccc(O)cc1	O=C(O)c1ccccc1[NH+]=Nc1ccc(O)cc1,O=C(O)c1ccccc1N=[NH+]c1ccc(O)cc1,O=C([O-])c1ccccc1[NH+]=[NH+]c1ccc(O)cc1	mol33091	O=C(O)c1ccccc1N=Nc1ccc(O)cc1
-1.25999999046326	QSARToolbox	2	1	O=C(O)c1ccccc1[NH+]=[NH+]c1ccc(O)cc1	O=C(O)c1ccccc1[NH+]=Nc1ccc(O)cc1,O=C(O)c1ccccc1N=[NH+]c1ccc(O)cc1,O=C([O-])c1ccccc1[NH+]=[NH+]c1ccc(O)cc1	mol33091	O=C(O)c1ccccc1N=Nc1ccc(O)cc1
8.2	OCHEM	-1	-2	O=C([O-])c1ccccc1N=Nc1ccc(O)cc1	O=C([O-])c1ccccc1N=Nc1ccc([O-])cc1	mol33091	O=C(O)c1ccccc1N=Nc1ccc(O)cc1
8.19999980926514	QSARToolbox	-1	-2	O=C([O-])c1ccccc1N=Nc1ccc(O)cc1	O=C([O-])c1ccccc1N=Nc1ccc([O-])cc1	mol33091	O=C(O)c1ccccc1N=Nc1ccc(O)cc1