[
  {
    "molid": "mol5774",
    "smiles": "NC(=O)NC(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)NC(N)=O",
        "std_free_energy": -6.954441547393799,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)[N-]C(N)=O",
        "std_free_energy": 1.1269643306732178,
        "relative_population": 0.9829628658525812
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 13.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]