[
  {
    "molid": "mol36387",
    "smiles": "O=C1CN=C(c2ccccc2F)c2cc(Cl)c(Cl)cc2N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CN=C(c2ccccc2F)c2cc(Cl)c(Cl)cc2N1",
        "std_free_energy": -6.280541896820068,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C1C[NH+]=C(c2ccccc2F)c2cc(Cl)c(Cl)cc2N1",
        "std_free_energy": 0.8253094553947449,
        "relative_population": 0.9848700151114994
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CN=C(c2ccccc2F)c2cc(Cl)c(Cl)cc2[N-]1",
        "std_free_energy": 4.630183696746826,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.25999999046326,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]