[
  {
    "molid": "mol23538",
    "smiles": "CC(C(=O)O)c1ccc(Br)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](C(=O)O)c1ccc(Br)cc1",
        "std_free_energy": -4.053720474243164,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](C(=O)[O-])c1ccc(Br)cc1",
        "std_free_energy": -9.443352699279785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.65999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]