pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.02	AttenGpKa training set	0	-1	O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1[O-]	mol30914	O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O