[
  {
    "molid": "mol33417",
    "smiles": "O=C(NC1CCCCC1)C1CC(Cl)CCC1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NC1CCCCC1)[C@H]1C[C@@H](Cl)CC[C@@H]1O",
        "std_free_energy": -7.163372039794922,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@H]1CC[C@H](Cl)C[C@@H]1C(=[OH+])NC1CCCCC1",
        "std_free_energy": 2.8484582901000977,
        "relative_population": 0.9963865061319671
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]