pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	IUPAC digitized pKa	0	-1	O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12,O=S(=O)([O-])c1cc(Cl)c(O)c2[nH+]cccc12	O=S(=O)([O-])c1cc(Cl)c(O)c2ncccc12	mol4388	O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12
2.91	IUPAC digitized pKa	0	-1	O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12,O=S(=O)([O-])c1cc(Cl)c(O)c2[nH+]cccc12	O=S(=O)([O-])c1cc(Cl)c(O)c2ncccc12	mol4388	O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12
2.92	OCHEM	0	-1	O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12,O=S(=O)([O-])c1cc(Cl)c(O)c2[nH+]cccc12	O=S(=O)([O-])c1cc(Cl)c(O)c2ncccc12	mol4388	O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12
6.8	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1cc(Cl)c(O)c2ncccc12	O=S(=O)([O-])c1cc(Cl)c([O-])c2ncccc12	mol4388	O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12
6.91	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1cc(Cl)c(O)c2ncccc12	O=S(=O)([O-])c1cc(Cl)c([O-])c2ncccc12	mol4388	O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12