pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	AttenGpKa training set	1	0	[NH3+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1	N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1	mol24637	N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1