pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.82	AttenGpKa training set	0	-1	O=S(=O)(NCc1ccccc1)C(F)(F)F	O=S(=O)([N-]Cc1ccccc1)C(F)(F)F	mol28426	O=S(=O)(NCc1ccccc1)C(F)(F)F