[
  {
    "molid": "mol35162",
    "smiles": "CCC1(CC)C(=O)NC(=O)N(C(=O)c2ccccc2Br)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC1(CC)C(=O)NC(=O)N(C(=O)c2ccccc2Br)C1=O",
        "std_free_energy": -5.120709419250488,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC1(CC)C(=O)[N-]C(=O)N(C(=O)c2ccccc2Br)C1=O",
        "std_free_energy": -5.206058025360107,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.55999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]