[
  {
    "molid": "mol36924",
    "smiles": "O=C1C[N+](CCO)=C(c2ccccc2F)c2cc(Br)ccc2N1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1C[N+](CCO)=C(c2ccccc2F)c2cc(Br)ccc2[N-]1",
        "std_free_energy": -1.3480662107467651,
        "relative_population": 0.9998444326303547
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C1C[N+](CCO)=C(c2ccccc2F)c2cc(Br)ccc2N1",
        "std_free_energy": -4.63667631149292,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9399995803833,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]