pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	AttenGpKa training set	0	-1	N#CC(C#N)c1ccccc1	N#C[C-](C#N)c1ccccc1	mol27686	N#CC(C#N)c1ccccc1