[
  {
    "molid": "mol30863",
    "smiles": "O=C1C=CC(=Nc2ccc(O)c(Br)c2)C=C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1C=CC(=Nc2ccc(O)c(Br)c2)C=C1",
        "std_free_energy": -5.359241962432861,
        "relative_population": 0.9988829407301113
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=CC(=Nc2ccc([O-])c(Br)c2)C=C1",
        "std_free_energy": -3.812032699584961,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]