pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.13	AttenGpKa training set	1	0	Cn1nnc(CO)c1[NH3+],Cn1[nH+]nc(CO)c1N,Cn1n[nH+]c(CO)c1N	Cn1nnc(CO)c1N	mol25321	Cn1nnc(CO)c1N