pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	AttenGpKa training set	0	-1	O=C(O)Cc1ccccc1S	O=C([O-])Cc1ccccc1S	mol10600	O=C(O)Cc1ccccc1S
7.67	AttenGpKa training set	-1	-2	O=C([O-])Cc1ccccc1S	O=C([O-])Cc1ccccc1[S-]	mol10600	O=C(O)Cc1ccccc1S