[
  {
    "molid": "mol13801",
    "smiles": "Oc1ccccc1CN1CCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccccc1CN1CCCC1",
        "std_free_energy": -2.9828031063079834,
        "relative_population": 0.2812480287047661
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1ccccc1C[NH+]1CCCC1",
        "std_free_energy": -3.9210824966430664,
        "relative_population": 0.7187519712952339
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccccc1C[NH+]1CCCC1",
        "std_free_energy": -9.70238208770752,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccccc1CN1CCCC1",
        "std_free_energy": 6.032356262207031,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.83,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.1000003814697,
        "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"
      },
      {
        "pka_value": 8.55000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]