pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.875	AttenGpKa training set	0	-1	O=C(O)[C@H]1C[C@]1(F)c1cccc(S(F)(F)(F)(F)F)c1	O=C([O-])[C@H]1C[C@]1(F)c1cccc(S(F)(F)(F)(F)F)c1	mol22514	O=C(O)C1CC1(F)c1cccc(S(F)(F)(F)(F)F)c1