pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	AttenGpKa training set	-1	-2	O=C([O-])C1=CCC=C(C(=O)O)O1	O=C([O-])C1=CCC=C(C(=O)[O-])O1	mol22556	O=C(O)C1=CCC=C(C(=O)O)O1
4.05	AttenGpKa training set	-1	-2	O=C([O-])C1=CCC=C(C(=O)O)O1	O=C([O-])C1=CCC=C(C(=O)[O-])O1	mol22556	O=C(O)C1=CCC=C(C(=O)O)O1