pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.21	IUPAC digitized pKa	-1	-2	O=C(O)CCCCCCCCCCS(=O)(=O)[O-]	O=C([O-])CCCCCCCCCCS(=O)(=O)[O-]	mol11631	O=C(O)CCCCCCCCCCS(=O)(=O)O