pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])COc1ccc(Cl)c([N+](=O)[O-])c1	mol21781	O=C(O)COc1ccc(Cl)c([N+](=O)[O-])c1
2.96000003814697	QSARToolbox	0	-1	O=C(O)COc1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])COc1ccc(Cl)c([N+](=O)[O-])c1	mol21781	O=C(O)COc1ccc(Cl)c([N+](=O)[O-])c1