[
  {
    "molid": "mol20912",
    "smiles": "CCc1oc2ccccc2c(=O)c1C(=O)c1cc(Br)c(O)c(Br)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1oc2ccccc2c(=O)c1C(=O)c1cc(Br)c(O)c(Br)c1",
        "std_free_energy": -1.8217077255249023,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1oc2ccccc2c(=O)c1C(=O)c1cc(Br)c([O-])c(Br)c1",
        "std_free_energy": -6.2418365478515625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]