pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.57	AttenGpKa training set	1	0	[NH3+][C@@H]1C[C@@]1(F)c1cccc(S(F)(F)(F)(F)F)c1	N[C@@H]1C[C@@]1(F)c1cccc(S(F)(F)(F)(F)F)c1	mol24672	NC1CC1(F)c1cccc(S(F)(F)(F)(F)F)c1