pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.78	AttenGpKa training set	1	0	Nc1cnc(-c2ccccc2)nc1[NH3+],Nc1c[nH+]c(-c2ccccc2)nc1N,Nc1cnc(-c2ccccc2)[nH+]c1N,Nc1nc(-c2ccccc2)ncc1[NH3+]	Nc1cnc(-c2ccccc2)nc1N	mol25791	Nc1cnc(-c2ccccc2)nc1N