pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.08	IUPAC digitized pKa	0	-1	O=S(=O)(O)c1cc(Br)c2cccnc2c1O,O=S(=O)([O-])c1cc(Br)c2ccc[nH+]c2c1O	O=S(=O)([O-])c1cc(Br)c2cccnc2c1O	mol11168	O=S(=O)(O)c1cc(Br)c2cccnc2c1O
3.05	IUPAC digitized pKa	0	-1	O=S(=O)(O)c1cc(Br)c2cccnc2c1O,O=S(=O)([O-])c1cc(Br)c2ccc[nH+]c2c1O	O=S(=O)([O-])c1cc(Br)c2cccnc2c1O	mol11168	O=S(=O)(O)c1cc(Br)c2cccnc2c1O
8.56	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1cc(Br)c2cccnc2c1O	O=S(=O)([O-])c1cc(Br)c2cccnc2c1[O-]	mol11168	O=S(=O)(O)c1cc(Br)c2cccnc2c1O
6.91	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1cc(Br)c2cccnc2c1O	O=S(=O)([O-])c1cc(Br)c2cccnc2c1[O-]	mol11168	O=S(=O)(O)c1cc(Br)c2cccnc2c1O