[
  {
    "molid": "mol33299",
    "smiles": "O=C(O)C1CCC2NC3CCCCC3CC2C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@H]1CC[C@@H]2[NH2+][C@@H]3CCCC[C@H]3C[C@@H]2C1",
        "std_free_energy": -11.660861015319824,
        "relative_population": 0.9999933437264952
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)[C@H]1CC[C@@H]2[NH2+][C@@H]3CCCC[C@H]3C[C@@H]2C1",
        "std_free_energy": -6.009099006652832,
        "relative_population": 0.9956395274992395
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]