[
  {
    "molid": "mol2703",
    "smiles": "O=C1CCCC(=O)C1C(=O)C1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCCC(=O)C1C(=O)C1CC1",
        "std_free_energy": -3.442464828491211,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1CCCC(=O)[C-]1C(=O)C1CC1",
        "std_free_energy": -7.77182674407959,
        "relative_population": 0.9996660997268919
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]