pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.67	IUPAC digitized pKa	0	-1	O=C(O)c1c(F)c(F)c(S)c(F)c1F	O=C(O)c1c(F)c(F)c([S-])c(F)c1F,O=C([O-])c1c(F)c(F)c(S)c(F)c1F	mol10276	O=C(O)c1c(F)c(F)c(S)c(F)c1F
3.36	IUPAC digitized pKa	-1	-2	O=C(O)c1c(F)c(F)c([S-])c(F)c1F,O=C([O-])c1c(F)c(F)c(S)c(F)c1F	O=C([O-])c1c(F)c(F)c([S-])c(F)c1F	mol10276	O=C(O)c1c(F)c(F)c(S)c(F)c1F