[
  {
    "molid": "mol32648",
    "smiles": "COC1C=CC2=CCN3CCC(CO)=C(CCO)C23C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@@H]1C=CC2=CCN3CCC(CO)=C(CCO)[C@@]23C1",
        "std_free_energy": -4.611741065979004,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CO[C@@H]1C=CC2=CC[NH+]3CCC(CO)=C(CCO)[C@@]23C1",
        "std_free_energy": -7.7100348472595215,
        "relative_population": 0.9849306923196638
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]