pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.91	IUPAC digitized pKa	0	-1	O=C(O)COc1cccc([N+](=O)[O-])c1	O=C([O-])COc1cccc([N+](=O)[O-])c1	mol1825	O=C(O)COc1cccc([N+](=O)[O-])c1
2.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cccc([N+](=O)[O-])c1	O=C([O-])COc1cccc([N+](=O)[O-])c1	mol1825	O=C(O)COc1cccc([N+](=O)[O-])c1
1.1	OCHEM	0	-1	O=C(O)COc1cccc([N+](=O)[O-])c1	O=C([O-])COc1cccc([N+](=O)[O-])c1	mol1825	O=C(O)COc1cccc([N+](=O)[O-])c1
2.93	OCHEM	0	-1	O=C(O)COc1cccc([N+](=O)[O-])c1	O=C([O-])COc1cccc([N+](=O)[O-])c1	mol1825	O=C(O)COc1cccc([N+](=O)[O-])c1
2.95000004768372	QSARToolbox	0	-1	O=C(O)COc1cccc([N+](=O)[O-])c1	O=C([O-])COc1cccc([N+](=O)[O-])c1	mol1825	O=C(O)COc1cccc([N+](=O)[O-])c1
2.91000008583069	QSARToolbox	0	-1	O=C(O)COc1cccc([N+](=O)[O-])c1	O=C([O-])COc1cccc([N+](=O)[O-])c1	mol1825	O=C(O)COc1cccc([N+](=O)[O-])c1