[
  {
    "molid": "mol34675",
    "smiles": "CC(=NO)C(=NO)C(=O)Nc1cccc([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=NO)C(=NO)C(=O)Nc1cccc([N+](=O)[O-])c1",
        "std_free_energy": -7.152186393737793,
        "relative_population": 0.9999928544110503
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=NO)C(=N[O-])C(=O)Nc1cccc([N+](=O)[O-])c1",
        "std_free_energy": -2.928846836090088,
        "relative_population": 0.6006726015493714
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=N[O-])C(=NO)C(=O)Nc1cccc([N+](=O)[O-])c1",
        "std_free_energy": -2.503739356994629,
        "relative_population": 0.3926593927039337
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.55000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]