pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	AttenGpKa training set	1	0	[NH3+][C@H]1C[C@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1	N[C@H]1C[C@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1	mol24673	NC1CC1(F)c1ccc(S(F)(F)(F)(F)F)cc1