pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.09	AttenGpKa training set	1	0	Nc1cc[nH+]n1-c1ccccc1,[NH3+]c1ccnn1-c1ccccc1	Nc1ccnn1-c1ccccc1	mol6798	Nc1ccnn1-c1ccccc1