[
  {
    "molid": "mol37563",
    "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/N=C/c2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/N=C/c2ccc(O)cc2)cc1",
        "std_free_energy": -6.043919086456299,
        "relative_population": 0.9995514241151991
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/N=C/c2ccc([O-])cc2)cc1",
        "std_free_energy": -2.495558261871338,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.15999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]