pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	AttenGpKa training set	0	-1	CC(C)[C@@H](F)c1ccc([C@H](C)C(=O)O)cc1	CC(C)[C@@H](F)c1ccc([C@H](C)C(=O)[O-])cc1	mol29612	CC(C(=O)O)c1ccc(C(F)C(C)C)cc1