pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	AttenGpKa training set	0	-1	O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)COc2cc(O)ccc21	O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)COc2cc([O-])ccc21	mol30909	O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)COc2cc(O)ccc21