[
  {
    "molid": "mol30764",
    "smiles": "CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1",
        "std_free_energy": -2.0001134872436523,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1",
        "std_free_energy": -7.33731746673584,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]