[
  {
    "molid": "mol9184",
    "smiles": "CC1(CC(=O)O)N=N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(CC(=O)[O-])N=[NH+]1",
        "std_free_energy": -4.022919654846191,
        "relative_population": 0.6903240695934597
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC1(CC(=O)O)N=N1",
        "std_free_energy": -3.221284866333008,
        "relative_population": 0.30967593040654035
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(CC(=O)O)N=[NH+]1",
        "std_free_energy": 4.93941593170166,
        "relative_population": 0.7251199311891572
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1(CC(=O)[O-])[NH+]=[NH+]1",
        "std_free_energy": 5.909418106079102,
        "relative_population": 0.2748800688108427
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]