[
  {
    "molid": "mol25414",
    "smiles": "CC(C)(C)c1cc([N+](=O)[O-])[nH]n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc([N+](=O)[O-])[nH]n1",
        "std_free_energy": -6.091209411621094,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc([N+](=O)[O-])[n-]n1",
        "std_free_energy": -2.5791804790496826,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]