[
  {
    "molid": "mol2720",
    "smiles": "COc1cc(C)cc(Cl)c1C1C(=O)C2CCC(C2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C)cc(Cl)c1[C@@H]1C(=O)[C@@H]2CC[C@@H](C2)C1=O",
        "std_free_energy": -5.558625221252441,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(C)cc(Cl)c1[C-]1C(=O)[C@@H]2CC[C@@H](C2)C1=O",
        "std_free_energy": 1.8219928741455078,
        "relative_population": 0.9815029141820216
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]