pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])CCSC[C@@H](S)CS	O=S(=O)([O-])CCSC[C@@H](S)C[S-],O=S(=O)([O-])CCSC[C@@H]([S-])CS	mol9464	O=S(=O)(O)CCSCC(S)CS
12.03	IUPAC digitized pKa	-2	-3	O=S(=O)([O-])CCSC[C@@H](S)C[S-],O=S(=O)([O-])CCSC[C@@H]([S-])CS	O=S(=O)([O-])CCSC[C@@H]([S-])C[S-]	mol9464	O=S(=O)(O)CCSCC(S)CS
11.14	IUPAC digitized pKa	-2	-3	O=S(=O)([O-])CCSC[C@@H](S)C[S-],O=S(=O)([O-])CCSC[C@@H]([S-])CS	O=S(=O)([O-])CCSC[C@@H]([S-])C[S-]	mol9464	O=S(=O)(O)CCSCC(S)CS