pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.51	AttenGpKa training set	0	-1	COC(=O)c1ccc(O)c(C(=O)O)c1	COC(=O)c1ccc(O)c(C(=O)[O-])c1	mol22841	COC(=O)c1ccc(O)c(C(=O)O)c1
11.9099998474121	QSARToolbox	-1	-2	COC(=O)c1ccc(O)c(C(=O)[O-])c1	COC(=O)c1ccc([O-])c(C(=O)[O-])c1	mol22841	COC(=O)c1ccc(O)c(C(=O)O)c1
11.91	AttenGpKa training set	-1	-2	COC(=O)c1ccc(O)c(C(=O)[O-])c1	COC(=O)c1ccc([O-])c(C(=O)[O-])c1	mol22841	COC(=O)c1ccc(O)c(C(=O)O)c1