pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	AttenGpKa training set	1	0	N#C[C@H]1CC(F)(F)C[NH2+]1	N#C[C@H]1CC(F)(F)CN1	mol24514	N#CC1CC(F)(F)CN1
