pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])C[C@@H](S)CS	O=S(=O)([O-])C[C@@H]([S-])CS,O=S(=O)([O-])C[C@@H](S)C[S-]	mol9072	O=S(=O)(O)CC(S)CS
8.93	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])C[C@@H](S)CS	O=S(=O)([O-])C[C@@H]([S-])CS,O=S(=O)([O-])C[C@@H](S)C[S-]	mol9072	O=S(=O)(O)CC(S)CS
8.9	OCHEM	-1	-2	O=S(=O)([O-])C[C@@H](S)CS	O=S(=O)([O-])C[C@@H]([S-])CS,O=S(=O)([O-])C[C@@H](S)C[S-]	mol9072	O=S(=O)(O)CC(S)CS
11.2	IUPAC digitized pKa	-2	-3	O=S(=O)([O-])C[C@@H]([S-])CS,O=S(=O)([O-])C[C@@H](S)C[S-]	O=S(=O)([O-])C[C@@H]([S-])C[S-]	mol9072	O=S(=O)(O)CC(S)CS
11.94	IUPAC digitized pKa	-2	-3	O=S(=O)([O-])C[C@@H]([S-])CS,O=S(=O)([O-])C[C@@H](S)C[S-]	O=S(=O)([O-])C[C@@H]([S-])C[S-]	mol9072	O=S(=O)(O)CC(S)CS