[
  {
    "molid": "mol15205",
    "smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1CN1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1",
        "std_free_energy": -7.803861618041992,
        "relative_population": 0.9821028988475371
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1",
        "std_free_energy": -4.558653831481934,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(Cl)cc(Cl)c(Cl)c1CN1CCCCC1",
        "std_free_energy": 1.3273143768310547,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.06,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.0599999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.05999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]