pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.87	IUPAC digitized pKa	0	-1	O=C(O)c1cccc(C=C[N+](=O)[O-])c1	O=C([O-])c1cccc(C=C[N+](=O)[O-])c1	mol10955	O=C(O)c1cccc(C=C[N+](=O)[O-])c1
3.9000001	OCHEM	0	-1	O=C(O)c1cccc(C=C[N+](=O)[O-])c1	O=C([O-])c1cccc(C=C[N+](=O)[O-])c1	mol10955	O=C(O)c1cccc(C=C[N+](=O)[O-])c1
3.86999988555908	QSARToolbox	0	-1	O=C(O)c1cccc(C=C[N+](=O)[O-])c1	O=C([O-])c1cccc(C=C[N+](=O)[O-])c1	mol10955	O=C(O)c1cccc(C=C[N+](=O)[O-])c1
3.90000009536743	QSARToolbox	0	-1	O=C(O)c1cccc(C=C[N+](=O)[O-])c1	O=C([O-])c1cccc(C=C[N+](=O)[O-])c1	mol10955	O=C(O)c1cccc(C=C[N+](=O)[O-])c1