[
  {
    "molid": "mol25458",
    "smiles": "CCc1c([N+](=O)[O-])n[nH]c1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1c([N+](=O)[O-])n[nH]c1[N+](=O)[O-]",
        "std_free_energy": -3.2497072219848633,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1c([N+](=O)[O-])n[n-]c1[N+](=O)[O-]",
        "std_free_energy": -8.373990058898926,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]