[
  {
    "molid": "mol38118",
    "smiles": "O=C1[C@H]2CCCC[C@H]2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1[C@H]2CCCC[C@H]2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1",
        "std_free_energy": -5.80915641784668,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C1[C@H]2CCCC[C@H]2C(=O)N1CC[NH+]1CCN(c2cccc3c2OCCO3)CC1",
        "std_free_energy": -7.009353160858154,
        "relative_population": 0.9780351393783239
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.07000017166138,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]