[
  {
    "molid": "mol14745",
    "smiles": "CCN1CCCC1CNC(=O)c1c(O)cccc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH+]1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC",
        "std_free_energy": -3.653672218322754,
        "relative_population": 0.6147995981134826
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCN1CCC[C@H]1CNC(=O)c1c(O)cccc1OC",
        "std_free_energy": -3.1861395835876465,
        "relative_population": 0.3852004018865175
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC",
        "std_free_energy": 2.9436135292053223,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]