[
  {
    "molid": "mol6737",
    "smiles": "O=C(O)CN1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+]1CCOCC1",
        "std_free_energy": -11.034015655517578,
        "relative_population": 0.9985873758496939
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)C[NH+]1CCOCC1",
        "std_free_energy": 0.8522714376449585,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN1CCOCC1",
        "std_free_energy": -8.649742126464844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.53,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]