[
  {
    "molid": "mol22676",
    "smiles": "C[N+]1(C)CCCCC1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+]1(C)CCCC[C@@H]1C(=O)[O-]",
        "std_free_energy": -12.432395935058594,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+]1(C)CCCC[C@@H]1C(=O)O",
        "std_free_energy": -2.1748909950256348,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.72,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]