[
  {
    "molid": "mol32650",
    "smiles": "CC1CC23C4CCCN2CCCC3C(CC4O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1C[C@]23[C@H]4CCCN2CCC[C@H]3[C@@H](C[C@H]4O)C1=O",
        "std_free_energy": -3.0435562133789062,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1C[C@]23[C@H]4CCC[NH+]2CCC[C@H]3[C@@H](C[C@H]4O)C1=O",
        "std_free_energy": -8.706121444702148,
        "relative_population": 0.995526966870937
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1300001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]