pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.99000000953674	QSARToolbox	0	-1	O=C(O)Cc1ccc(C(F)(F)F)cc1	O=C([O-])Cc1ccc(C(F)(F)F)cc1	mol23439	O=C(O)Cc1ccc(C(F)(F)F)cc1
3.99	AttenGpKa training set	0	-1	O=C(O)Cc1ccc(C(F)(F)F)cc1	O=C([O-])Cc1ccc(C(F)(F)F)cc1	mol23439	O=C(O)Cc1ccc(C(F)(F)F)cc1