pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	AttenGpKa training set	0	-1	N#Cc1nc(I)[nH]c1C#N	N#Cc1nc(I)[n-]c1C#N	mol25570	N#Cc1nc(I)[nH]c1C#N