pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.02	IUPAC digitized pKa	0	-1	CC(C)c1ccccc1S	CC(C)c1ccccc1[S-]	mol10909	CC(C)c1ccccc1S