[
  {
    "molid": "mol32914",
    "smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@@](CCN1CCCCC1)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2",
        "std_free_energy": -3.3018276691436768,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2",
        "std_free_energy": -8.795964241027832,
        "relative_population": 0.9959287207510323
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]