pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.13	AttenGpKa training set	1	0	Cc1cc[nH+]n1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	Cc1ccnn1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	mol25574	Cc1ccnn1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1