pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.27	IUPAC digitized pKa	0	-1	O=C(O)c1c(F)c(F)c(O)c(F)c1F	O=C([O-])c1c(F)c(F)c(O)c(F)c1F	mol10027	O=C(O)c1c(F)c(F)c(O)c(F)c1F
2.26999998092651	QSARToolbox	0	-1	O=C(O)c1c(F)c(F)c(O)c(F)c1F	O=C([O-])c1c(F)c(F)c(O)c(F)c1F	mol10027	O=C(O)c1c(F)c(F)c(O)c(F)c1F
5.17	IUPAC digitized pKa	-1	-2	O=C([O-])c1c(F)c(F)c(O)c(F)c1F	O=C([O-])c1c(F)c(F)c([O-])c(F)c1F	mol10027	O=C(O)c1c(F)c(F)c(O)c(F)c1F
5.17000007629395	QSARToolbox	-1	-2	O=C([O-])c1c(F)c(F)c(O)c(F)c1F	O=C([O-])c1c(F)c(F)c([O-])c(F)c1F	mol10027	O=C(O)c1c(F)c(F)c(O)c(F)c1F