[
  {
    "molid": "mol36220",
    "smiles": "Cn1cc(C2(c3c[nH]c4ccccc34)OC(=O)c3ccccc32)c2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc([C@@]2(c3c[nH]c4ccccc34)OC(=O)c3ccccc32)c2ccccc21",
        "std_free_energy": -7.130312442779541,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1cc([C@@]2(c3c[n-]c4ccccc34)OC(=O)c3ccccc32)c2ccccc21",
        "std_free_energy": 7.310636043548584,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.8000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]