[
  {
    "molid": "mol37073",
    "smiles": "COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O",
        "std_free_energy": -4.723583698272705,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -2.8014774322509766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.57000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]