[
  {
    "molid": "mol11429",
    "smiles": "CC[N+]1(CC)CCCCC1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[N+]1(CC)CCCC[C@@H]1C(=O)[O-]",
        "std_free_energy": -12.597616195678711,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[N+]1(CC)CCCC[C@@H]1C(=O)O",
        "std_free_energy": -2.284322500228882,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]