pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.98	AttenGpKa training set	1	0	C[n+]1cnc(N)cc1O,C[n+]1cnc([NH3+])cc1[O-],C[n+]1c[nH+]c(N)cc1[O-]	C[n+]1cnc(N)cc1[O-]	mol25703	C[n+]1cnc(N)cc1O