pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.66	AttenGpKa training set	1	0	Cc1nc2c(N)nc(O)[n+](C)c2nc1C	Cc1nc2c(N)nc([O-])[n+](C)c2nc1C	mol26269	Cc1nc2c(N)nc(O)[n+](C)c2nc1C