[
  {
    "molid": "mol36639",
    "smiles": "COC(=O)c1cccc2c1C1CCC2c2cccc(C(=O)O)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1cccc2c1[C@@H]1CC[C@H]2c2cccc(C(=O)O)c21",
        "std_free_energy": -3.057056188583374,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1cccc2c1[C@@H]1CC[C@H]2c2cccc(C(=O)[O-])c21",
        "std_free_energy": -9.256375312805176,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]