pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.45	IUPAC digitized pKa	0	-1	O=C(O)[C@@H](S)CS	O=C([O-])[C@@H](S)CS	mol9046	O=C(O)C(S)CS
9.54	IUPAC digitized pKa	-1	-2	O=C([O-])[C@@H](S)CS	O=C([O-])[C@@H]([S-])CS,O=C([O-])[C@@H](S)C[S-]	mol9046	O=C(O)C(S)CS
11.55	IUPAC digitized pKa	-2	-3	O=C([O-])[C@@H]([S-])CS,O=C([O-])[C@@H](S)C[S-]	O=C([O-])[C@@H]([S-])C[S-]	mol9046	O=C(O)C(S)CS