pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.35	AttenGpKa training set	0	-1	O=C(O)CSc1ccc(-c2ccccc2)cc1	O=C([O-])CSc1ccc(-c2ccccc2)cc1	mol23606	O=C(O)CSc1ccc(-c2ccccc2)cc1