pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.91	IUPAC digitized pKa	-1	-2	O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O	O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1[O-]	mol11838	O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O
11.1700000762939	QSARToolbox	-1	-2	O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O	O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1[O-]	mol11838	O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O
10.8999996185303	QSARToolbox	-1	-2	O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O	O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1[O-]	mol11838	O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O