pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.42	AttenGpKa training set	0	-1	O=C(O)c1c(F)c(F)c(F)c(C(=O)O)c1F	O=C([O-])c1c(F)c(F)c(F)c(C(=O)O)c1F	mol23036	O=C(O)c1c(F)c(F)c(F)c(C(=O)O)c1F
1.0	AttenGpKa training set	-1	-2	O=C([O-])c1c(F)c(F)c(F)c(C(=O)O)c1F	O=C([O-])c1c(F)c(F)c(F)c(C(=O)[O-])c1F	mol23036	O=C(O)c1c(F)c(F)c(F)c(C(=O)O)c1F