[
  {
    "molid": "mol35247",
    "smiles": "NCC(O)CBr",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC[C@H](O)CBr",
        "std_free_energy": -4.029783248901367,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]C[C@H](O)CBr",
        "std_free_energy": -8.765259742736816,
        "relative_population": 0.9948690712065922
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]