pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.84	AttenGpKa training set	0	-1	COC(=O)c1cc(Cl)c(O)c(C(=O)O)c1	COC(=O)c1cc(Cl)c(O)c(C(=O)[O-])c1	mol23014	COC(=O)c1cc(Cl)c(O)c(C(=O)O)c1
10.3900003433228	QSARToolbox	-1	-2	COC(=O)c1cc(Cl)c(O)c(C(=O)[O-])c1	COC(=O)c1cc(Cl)c([O-])c(C(=O)[O-])c1	mol23014	COC(=O)c1cc(Cl)c(O)c(C(=O)O)c1
10.39	AttenGpKa training set	-1	-2	COC(=O)c1cc(Cl)c(O)c(C(=O)[O-])c1	COC(=O)c1cc(Cl)c([O-])c(C(=O)[O-])c1	mol23014	COC(=O)c1cc(Cl)c(O)c(C(=O)O)c1