[
  {
    "molid": "mol38228",
    "smiles": "O=[N+]([O-])c1cccc(-c2c3nc(c(-c4cccc([N+](=O)[O-])c4)c4ccc([nH]4)c(-c4cccc([N+](=O)[O-])c4)c4nc(c(-c5cccc([N+](=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cccc(-c2c3nc(c(-c4cccc([N+](=O)[O-])c4)c4ccc([nH]4)c(-c4cccc([N+](=O)[O-])c4)c4nc(c(-c5cccc([N+](=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1",
        "std_free_energy": -7.0460638999938965,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc(-c2c3nc(c(-c4cccc([N+](=O)[O-])c4)c4ccc([nH]4)c(-c4cccc([N+](=O)[O-])c4)c4nc(c(-c5cccc([N+](=O)[O-])c5)c5ccc2[n-]5)C=C4)C=C3)c1",
        "std_free_energy": 3.7796943187713623,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]