[
  {
    "molid": "mol35695",
    "smiles": "Cc1ccc2c(c1)C(=O)N(CCN1CCN(c3cccc4c3OCCO4)CC1)C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c(c1)C(=O)N(CCN1CCN(c3cccc4c3OCCO4)CC1)C2=O",
        "std_free_energy": -5.746857643127441,
        "relative_population": 1.0
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1ccc2c(c1)C(=O)N(CC[NH+]1CCN(c3cccc4c3OCCO4)CC1)C2=O",
        "std_free_energy": -7.305021286010742,
        "relative_population": 0.9861003188437297
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]