pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.56	AttenGpKa training set	0	-1	O=C(O)[C@@H](S)Cc1ccccc1	O=C([O-])[C@@H](S)Cc1ccccc1	mol23366	O=C(O)C(S)Cc1ccccc1
9.9	AttenGpKa training set	-1	-2	O=C([O-])[C@@H](S)Cc1ccccc1	O=C([O-])[C@@H]([S-])Cc1ccccc1	mol23366	O=C(O)C(S)Cc1ccccc1