pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	IUPAC digitized pKa	0	-1	O=S(=O)(O)[C@@H](O)c1cccnc1,O=S(=O)([O-])[C@@H](O)c1ccc[nH+]c1	O=S(=O)([O-])[C@@H](O)c1cccnc1	mol9907	O=S(=O)(O)C(O)c1cccnc1
9.53	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])[C@@H](O)c1cccnc1	O=S(=O)(O)[C-]([O-])c1cccnc1,O=S(=O)([O-])[C-](O)c1cccnc1,O=S(=O)([O-])[C@@H]([O-])c1cccnc1	mol9907	O=S(=O)(O)C(O)c1cccnc1