[
  {
    "molid": "mol7924",
    "smiles": "FC(F)(F)c1ncc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC(F)(F)c1ncc2ccccc2n1",
        "std_free_energy": -7.818521499633789,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "FC(F)(F)c1nc2ccccc2c[nH+]1",
        "std_free_energy": 8.744311332702637,
        "relative_population": 0.5359229912014732
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "FC(F)(F)c1ncc2ccccc2[nH+]1",
        "std_free_energy": 8.888251304626465,
        "relative_population": 0.4640770087985267
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -2.23000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]