pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89999961853027	QSARToolbox	-1	-2	COC(=O)c1ccc2c(c1)O[C@@H](O)C(=O)N2[O-],COC(=O)c1ccc2c(c1)O[C-](O)C(=O)N2O	COC(=O)c1ccc2c(c1)O[C-]([O-])C(=O)N2O	mol36638	COC(=O)c1ccc2c(c1)OC(O)C(=O)N2O