[
  {
    "molid": "mol10681",
    "smiles": "COc1ccc(N=NN(C)O)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COc1ccc(N=NN(C)O)cc1",
        "std_free_energy": -5.26093864440918,
        "relative_population": 0.9999954663773758
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(N=NN(C)[O-])cc1",
        "std_free_energy": -5.541014671325684,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.69,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]