[
  {
    "molid": "mol24892",
    "smiles": "C[N+]1(O)C2CCC1CC(OC(=O)c1ccccc1)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N@@+]1([O-])[C@@H]2CC[C@H]1C[C@H](OC(=O)c1ccccc1)C2",
        "std_free_energy": -6.7258758544921875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N@@+]1(O)[C@@H]2CC[C@H]1C[C@H](OC(=O)c1ccccc1)C2",
        "std_free_energy": -0.8356034159660339,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]