[
  {
    "molid": "mol11078",
    "smiles": "CCCN(O)N=Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN(O)N=Nc1ccccc1",
        "std_free_energy": -6.010721683502197,
        "relative_population": 0.9999871771597724
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCN([O-])N=Nc1ccccc1",
        "std_free_energy": -5.270874977111816,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.39,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]