pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	AttenGpKa training set	0	-1	CC1(C)OC(=O)C(=C(O)Cc2cc(F)c(F)cc2F)C(=O)O1	CC1(C)OC(=O)C(=C([O-])Cc2cc(F)c(F)cc2F)C(=O)O1	mol31293	CC1(C)OC(=O)C(=C(O)Cc2cc(F)c(F)cc2F)C(=O)O1