[
  {
    "molid": "mol34976",
    "smiles": "CCC(=Nc1ccccc1)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(=Nc1ccccc1)c1ccccc1O",
        "std_free_energy": -5.663390636444092,
        "relative_population": 0.9559864866929741
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(=Nc1ccccc1)c1ccccc1[O-]",
        "std_free_energy": 3.5140042304992676,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3100004196167,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]