[
  {
    "molid": "mol384",
    "smiles": "O=C(CN1CCCCC1)Nc1ncc(Cc2cccc3ccccc23)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CN1CCCCC1)Nc1ncc(Cc2cccc3ccccc23)s1",
        "std_free_energy": -5.797194480895996,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(C[NH+]1CCCCC1)Nc1ncc(Cc2cccc3ccccc23)s1",
        "std_free_energy": -7.256373405456543,
        "relative_population": 0.9746535557478355
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CN1CCCCC1)[N-]c1ncc(Cc2cccc3ccccc23)s1",
        "std_free_energy": 0.8105924129486084,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]