[
  {
    "molid": "mol35277",
    "smiles": "NCc1cc(O)c(F)cc1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCc1cc(O)c(F)cc1F",
        "std_free_energy": -3.068948984146118,
        "relative_population": 0.28617830285552714
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]Cc1cc([O-])c(F)cc1F",
        "std_free_energy": -3.9829671382904053,
        "relative_population": 0.7138216971444729
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Cc1cc(O)c(F)cc1F",
        "std_free_energy": -8.104705810546875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]