pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	AttenGpKa training set	2	1	C[NH+](C)/[NH+]=N/c1[nH]cnc1C(N)=O,C[NH+](C)/N=N/c1[nH]c[nH+]c1C(N)=O	C[NH+](C)/N=N/c1[nH]cnc1C(N)=O,CN(C)/N=N/c1[nH]c[nH+]c1C(N)=O,CN(C)/N=[NH+]/c1[nH]cnc1C(N)=O	mol25453	CN(C)/N=N/c1[nH]cnc1C(N)=O