[
  {
    "molid": "mol33278",
    "smiles": "O=C(O)C1CCC2CCCCC2N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1",
        "std_free_energy": -12.57542610168457,
        "relative_population": 0.9999953587324674
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1",
        "std_free_energy": -3.2438135147094727,
        "relative_population": 0.9993665667674474
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]