[
  {
    "molid": "mol21698",
    "smiles": "CC(C)CC(C)CC(C)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[C@@H](C)C[C@@H](C)c1ccc(O)cc1",
        "std_free_energy": -7.0247578620910645,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C[C@@H](C)C[C@@H](C)c1ccc([O-])cc1",
        "std_free_energy": 3.362339973449707,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.06,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]