pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.44	AttenGpKa training set	0	-1	O=S(=O)(Nc1ccc(F)cc1F)C(F)(F)F	O=S(=O)([N-]c1ccc(F)cc1F)C(F)(F)F	mol28492	O=S(=O)(Nc1ccc(F)cc1F)C(F)(F)F