pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	AttenGpKa training set	0	-1	CC(C)[C@H](CC(=O)O)c1ccccc1	CC(C)[C@H](CC(=O)[O-])c1ccccc1	mol23388	CC(C)C(CC(=O)O)c1ccccc1