pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.09	OCHEM	0	-1	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1	O=C([O-])c1ccccc1Nc1cccc(C(F)(F)F)c1	mol35	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
3.9	OCHEM	0	-1	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1	O=C([O-])c1ccccc1Nc1cccc(C(F)(F)F)c1	mol35	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
3.968	OCHEM	0	-1	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1	O=C([O-])c1ccccc1Nc1cccc(C(F)(F)F)c1	mol35	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
4.0	AttenGpKa training set	0	-1	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1	O=C([O-])c1ccccc1Nc1cccc(C(F)(F)F)c1	mol35	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1