pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.97	AttenGpKa training set	0	-1	C/C(=N/O)c1ccc([N+](=O)[O-])cc1	C/C(=N/[O-])c1ccc([N+](=O)[O-])cc1	mol31589	C/C(=N/O)c1ccc([N+](=O)[O-])cc1