pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	AttenGpKa training set	1	0	[NH3+][C@@]1(c2ccccc2)C[C@@]1(F)c1ccccc1	N[C@@]1(c2ccccc2)C[C@@]1(F)c1ccccc1	mol24648	NC1(c2ccccc2)CC1(F)c1ccccc1