[
  {
    "molid": "mol28000",
    "smiles": "N=C(N)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=[NH2+])C(=O)[O-]",
        "std_free_energy": -12.538753509521484,
        "relative_population": 0.9998907848728992
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NC(=[NH2+])C(=O)O",
        "std_free_energy": -1.2121728658676147,
        "relative_population": 0.997702472654178
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N=C(N)C(=O)[O-]",
        "std_free_energy": -5.522889137268066,
        "relative_population": 0.9986814514557687
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]