pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	AttenGpKa training set	-1	-2	Nc1nonc1/C(=N/[O-])Nc1ccccc1,Nc1nonc1/C(=N/O)[N-]c1ccccc1	[NH-]c1nonc1/C(=N/O)[N-]c1ccccc1,Nc1nonc1/C(=N/[O-])[N-]c1ccccc1,[NH-]c1nonc1/C(=N/[O-])Nc1ccccc1	mol29600	Nc1nonc1/C(=N/O)Nc1ccccc1