[
  {
    "molid": "mol36358",
    "smiles": "O=C(O)/C=C(/SC1CCCCC1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)/C=C(/SC1CCCCC1)C(=O)O",
        "std_free_energy": -0.4410419464111328,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])/C=C(/SC1CCCCC1)C(=O)O",
        "std_free_energy": -8.686725616455078,
        "relative_population": 0.34720653675278307
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)/C=C(/SC1CCCCC1)C(=O)[O-]",
        "std_free_energy": -9.318066596984863,
        "relative_population": 0.6527934632472168
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.89999997615814,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]