[
  {
    "molid": "mol33233",
    "smiles": "NC1CCCNC1C(=O)O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1CCC[NH2+][C@H]1C(=O)[O-]",
        "std_free_energy": -12.484942436218262,
        "relative_population": 0.9998314685801822
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "[NH3+][C@@H]1CCC[NH2+][C@H]1C(=O)O",
        "std_free_energy": -1.3615872859954834,
        "relative_population": 0.9999998525791329
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]