[
  {
    "molid": "mol15782",
    "smiles": "Oc1ccc(F)cc1CN1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1ccc(F)cc1C[NH+]1CCCCC1",
        "std_free_energy": -4.055283546447754,
        "relative_population": 0.6111733225991237
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1ccc(F)cc1CN1CCCCC1",
        "std_free_energy": -3.603036642074585,
        "relative_population": 0.3888266774008764
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc(F)cc1C[NH+]1CCCCC1",
        "std_free_energy": -9.343570709228516,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(F)cc1CN1CCCCC1",
        "std_free_energy": 6.416171550750732,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.3100004196167,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.81,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.8100004,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]