pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	AttenGpKa training set	1	0	C[n+]1c([O-])cc[nH+]c1N,C[n+]1c([O-])ccnc1[NH3+],C[n+]1c(O)ccnc1N	C[n+]1c([O-])ccnc1N	mol25710	C[n+]1c(O)ccnc1N