[
  {
    "molid": "mol22436",
    "smiles": "O=C(O)CC/C(=N/O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CC/C(=N/O)c1ccccc1",
        "std_free_energy": -4.935930252075195,
        "relative_population": 0.9993084719979927
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CC/C(=N/O)c1ccccc1",
        "std_free_energy": -9.35992431640625,
        "relative_population": 0.9999616981420627
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]