pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.43	AttenGpKa training set	0	-1	CCOc1ccc(C(=O)O)cc1OCC	CCOc1ccc(C(=O)[O-])cc1OCC	mol22923	CCOc1ccc(C(=O)O)cc1OCC
