pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.7	IUPAC digitized pKa	0	-1	O=C([O-])c1cc(Cl)cc(C(=O)O)[nH+]1,O=C(O)c1cc(Cl)cc(C(=O)O)n1	O=C([O-])c1cc(Cl)cc(C(=O)O)n1,O=C([O-])c1cc(Cl)cc(C(=O)[O-])[nH+]1	mol6421	O=C(O)c1cc(Cl)cc(C(=O)O)n1
1.70000004768372	QSARToolbox	0	-1	O=C([O-])c1cc(Cl)cc(C(=O)O)[nH+]1,O=C(O)c1cc(Cl)cc(C(=O)O)n1	O=C([O-])c1cc(Cl)cc(C(=O)O)n1,O=C([O-])c1cc(Cl)cc(C(=O)[O-])[nH+]1	mol6421	O=C(O)c1cc(Cl)cc(C(=O)O)n1
3.75	IUPAC digitized pKa	-1	-2	O=C([O-])c1cc(Cl)cc(C(=O)O)n1,O=C([O-])c1cc(Cl)cc(C(=O)[O-])[nH+]1	O=C([O-])c1cc(Cl)cc(C(=O)[O-])n1	mol6421	O=C(O)c1cc(Cl)cc(C(=O)O)n1