[
  {
    "molid": "mol27889",
    "smiles": "O=[N+]([O-])[N-]CCCCN[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])[N-]CCCCN[N+](=O)[O-]",
        "std_free_energy": -6.70539665222168,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])[N-]CCCC[N-][N+](=O)[O-]",
        "std_free_energy": -6.892640113830566,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.96,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]