pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.91	IUPAC digitized pKa	0	-1	COC(=O)c1ccc(O)nc1C(=O)OC	COC(=O)c1ccc([O-])nc1C(=O)OC	mol6491	COC(=O)c1ccc(O)nc1C(=O)OC
6.90999984741211	QSARToolbox	0	-1	COC(=O)c1ccc(O)nc1C(=O)OC	COC(=O)c1ccc([O-])nc1C(=O)OC	mol6491	COC(=O)c1ccc(O)nc1C(=O)OC
-1.52999997138977	QSARToolbox	1	0	COC(=O)c1ccc(O)[nH+]c1C(=O)OC	COC(=O)c1ccc(O)nc1C(=O)OC	mol6491	COC(=O)c1ccc(O)nc1C(=O)OC