pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(C=C[N+](=O)[O-])cc1	O=C([O-])c1ccc(C=C[N+](=O)[O-])cc1	mol10956	O=C(O)c1ccc(C=C[N+](=O)[O-])cc1
3.9400001	OCHEM	0	-1	O=C(O)c1ccc(C=C[N+](=O)[O-])cc1	O=C([O-])c1ccc(C=C[N+](=O)[O-])cc1	mol10956	O=C(O)c1ccc(C=C[N+](=O)[O-])cc1
3.94000005722046	QSARToolbox	0	-1	O=C(O)c1ccc(C=C[N+](=O)[O-])cc1	O=C([O-])c1ccc(C=C[N+](=O)[O-])cc1	mol10956	O=C(O)c1ccc(C=C[N+](=O)[O-])cc1