[
  {
    "molid": "mol31529",
    "smiles": "O/N=C1/CCCC/C1=N/O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O/N=C1/CCCC/C1=N/O",
        "std_free_energy": -7.734048366546631,
        "relative_population": 0.9999932848621758
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]/N=C1/CCCC/C1=N/O",
        "std_free_energy": 0.7716691493988037,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 12.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]