pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.11	AttenGpKa training set	1	0	[NH3+]c1ccnn1-c1ccc([N+](=O)[O-])cc1,Nc1cc[nH+]n1-c1ccc([N+](=O)[O-])cc1	Nc1ccnn1-c1ccc([N+](=O)[O-])cc1	mol25503	Nc1ccnn1-c1ccc([N+](=O)[O-])cc1