pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.394	OCHEM	0	-1	O=C(O)C(F)(F)C(F)(F)C(F)(F)F	O=C([O-])C(F)(F)C(F)(F)C(F)(F)F	mol22472	O=C(O)C(F)(F)C(F)(F)C(F)(F)F
0.2	OCHEM	0	-1	O=C(O)C(F)(F)C(F)(F)C(F)(F)F	O=C([O-])C(F)(F)C(F)(F)C(F)(F)F	mol22472	O=C(O)C(F)(F)C(F)(F)C(F)(F)F
0.170000001788139	QSARToolbox	0	-1	O=C(O)C(F)(F)C(F)(F)C(F)(F)F	O=C([O-])C(F)(F)C(F)(F)C(F)(F)F	mol22472	O=C(O)C(F)(F)C(F)(F)C(F)(F)F
0.200000002980232	QSARToolbox	0	-1	O=C(O)C(F)(F)C(F)(F)C(F)(F)F	O=C([O-])C(F)(F)C(F)(F)C(F)(F)F	mol22472	O=C(O)C(F)(F)C(F)(F)C(F)(F)F
0.64	AttenGpKa training set	0	-1	O=C(O)C(F)(F)C(F)(F)C(F)(F)F	O=C([O-])C(F)(F)C(F)(F)C(F)(F)F	mol22472	O=C(O)C(F)(F)C(F)(F)C(F)(F)F