[
  {
    "molid": "mol2118",
    "smiles": "O=C(CCN1CCCCC1)C(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CCN1CCCCC1)C(c1ccccc1)c1ccccc1",
        "std_free_energy": -3.561570167541504,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(CC[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1",
        "std_free_energy": -7.870189666748047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.45,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      },
      {
        "pka_value": 9.44999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]