[
  {
    "molid": "mol28027",
    "smiles": "N/C(CO)=N\\c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N/C(CO)=N\\c1ccccc1",
        "std_free_energy": -4.3250017166137695,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N/C(CO)=[NH+]\\c1ccccc1",
        "std_free_energy": -7.897771835327148,
        "relative_population": 0.9982544457647334
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.82,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]