pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	IUPAC digitized pKa	-1	-2	O=C(O)c1cccc([S@@](=O)[O-])c1,O=C([O-])c1cccc([S@@](=O)O)c1	O=C([O-])c1cccc([S@@](=O)[O-])c1	mol10124	O=C(O)c1cccc(S(=O)O)c1
4.09	IUPAC digitized pKa	-1	-2	O=C(O)c1cccc([S@@](=O)[O-])c1,O=C([O-])c1cccc([S@@](=O)O)c1	O=C([O-])c1cccc([S@@](=O)[O-])c1	mol10124	O=C(O)c1cccc(S(=O)O)c1
4.05	IUPAC digitized pKa	-1	-2	O=C(O)c1cccc([S@@](=O)[O-])c1,O=C([O-])c1cccc([S@@](=O)O)c1	O=C([O-])c1cccc([S@@](=O)[O-])c1	mol10124	O=C(O)c1cccc(S(=O)O)c1
4.01	IUPAC digitized pKa	-1	-2	O=C(O)c1cccc([S@@](=O)[O-])c1,O=C([O-])c1cccc([S@@](=O)O)c1	O=C([O-])c1cccc([S@@](=O)[O-])c1	mol10124	O=C(O)c1cccc(S(=O)O)c1
3.95	IUPAC digitized pKa	-1	-2	O=C(O)c1cccc([S@@](=O)[O-])c1,O=C([O-])c1cccc([S@@](=O)O)c1	O=C([O-])c1cccc([S@@](=O)[O-])c1	mol10124	O=C(O)c1cccc(S(=O)O)c1
4.24	IUPAC digitized pKa	-1	-2	O=C(O)c1cccc([S@@](=O)[O-])c1,O=C([O-])c1cccc([S@@](=O)O)c1	O=C([O-])c1cccc([S@@](=O)[O-])c1	mol10124	O=C(O)c1cccc(S(=O)O)c1