pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.0	AttenGpKa training set	-1	-2	O=C([N-]CO)c1cccc([N+](=O)[O-])c1	O=C([N-]C[O-])c1cccc([N+](=O)[O-])c1	mol27242	O=C(NCO)c1cccc([N+](=O)[O-])c1