pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.66000008583069	QSARToolbox	1	0	O=C(O)c1ccccc1/[NH+]=N/c1ccc(O)cc1,O=C([O-])c1ccccc1/[NH+]=[NH+]/c1ccc(O)cc1	O=C(O)c1ccccc1/N=N/c1ccc(O)cc1	mol3393	O=C(O)c1ccccc1/N=N/c1ccc(O)cc1
-1.26	AttenGpKa training set	2	1	O=C(O)c1ccccc1/[NH+]=[NH+]/c1ccc(O)cc1	O=C(O)c1ccccc1/[NH+]=N/c1ccc(O)cc1,O=C([O-])c1ccccc1/[NH+]=[NH+]/c1ccc(O)cc1	mol3393	O=C(O)c1ccccc1/N=N/c1ccc(O)cc1
8.2	IUPAC digitized pKa	-1	-2	O=C([O-])c1ccccc1/N=N/c1ccc(O)cc1	O=C([O-])c1ccccc1/N=N/c1ccc([O-])cc1	mol3393	O=C(O)c1ccccc1/N=N/c1ccc(O)cc1