pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.55	AttenGpKa training set	2	1	Cn1n[nH+][nH+]c1CN,Cn1[nH+]n[nH+]c1CN,Cn1[nH+][nH+]nc1CN	Cn1nnnc1C[NH3+]	mol25274	Cn1nnnc1CN