pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.51	AttenGpKa training set	0	-1	CSc1ccc(C(=O)O)s1	CSc1ccc(C(=O)[O-])s1	mol25904	CSc1ccc(C(=O)O)s1