[
  {
    "molid": "mol34420",
    "smiles": "O=C(NO)Oc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)Oc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -6.002688407897949,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(N[O-])Oc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -1.0968769788742065,
        "relative_population": 0.5687740942490166
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([N-]O)Oc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -0.8200257420539856,
        "relative_population": 0.43122590575098346
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.11999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]