[
  {
    "molid": "mol35960",
    "smiles": "O=C(O)C(=C1CCCCC1)C(C(=O)O)=C(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(=C1CCCCC1)C(C(=O)O)=C(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.404438972473145,
        "relative_population": 0.4902425280777799
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C(C(C(=O)O)=C1CCCCC1)=C(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.443473815917969,
        "relative_population": 0.5097574719222201
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C(=C1CCCCC1)C(C(=O)[O-])=C(c1ccccc1)c1ccccc1",
        "std_free_energy": -10.449329376220703,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.80999994277954,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]