pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	AttenGpKa training set	2	1	C[n+]1cnc(O)c(N)c1[NH3+],C[n+]1cnc([O-])c([NH3+])c1[NH3+],C[n+]1cnc(O)c([NH3+])c1N,C[n+]1cnc([OH2+])c(N)c1N,C[n+]1c[nH+]c(O)c(N)c1N	C[n+]1cnc(O)c(N)c1N	mol25737	C[n+]1cnc(O)c(N)c1N