pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	IUPAC digitized pKa	0	-1	O=S(=O)(O)c1ccc2cccnc2c1O,O=S(=O)([O-])c1ccc2ccc[nH+]c2c1O	O=S(=O)([O-])c1ccc2cccnc2c1O	mol11114	O=S(=O)(O)c1ccc2cccnc2c1O
3.34	IUPAC digitized pKa	0	-1	O=S(=O)(O)c1ccc2cccnc2c1O,O=S(=O)([O-])c1ccc2ccc[nH+]c2c1O	O=S(=O)([O-])c1ccc2cccnc2c1O	mol11114	O=S(=O)(O)c1ccc2cccnc2c1O
8.76	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1ccc2cccnc2c1O	O=S(=O)([O-])c1ccc2cccnc2c1[O-]	mol11114	O=S(=O)(O)c1ccc2cccnc2c1O
7.51	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1ccc2cccnc2c1O	O=S(=O)([O-])c1ccc2cccnc2c1[O-]	mol11114	O=S(=O)(O)c1ccc2cccnc2c1O