[
  {
    "molid": "mol13273",
    "smiles": "O=C(O)CCCCCN1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])CCCCC[NH+]1CCCCC1",
        "std_free_energy": -11.330307006835938,
        "relative_population": 0.9999817685377896
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCCCCN1CCCCC1",
        "std_free_energy": -2.025864839553833,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.4709997177124,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]