[
  {
    "molid": "mol5368",
    "smiles": "O=C(O)CN=C1CCCCC1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+]=C1CCCCC1",
        "std_free_energy": -12.379632949829102,
        "relative_population": 0.9999567990715665
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN=C1CCCCC1",
        "std_free_energy": -5.697154998779297,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.48,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.4799995,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]