[
  {
    "molid": "mol35616",
    "smiles": "CCC[n+]1cccc2cc([O-])ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC[n+]1cccc2cc([O-])ccc21",
        "std_free_energy": -3.479630947113037,
        "relative_population": 0.9994000733057021
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[n+]1cccc2cc(O)ccc21",
        "std_free_energy": -5.126225471496582,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.07999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]