[
  {
    "molid": "mol38181",
    "smiles": "CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc21",
        "std_free_energy": -6.341666221618652,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1C(=O)C[NH+]=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc21",
        "std_free_energy": 0.7217181921005249,
        "relative_population": 0.9469991258958304
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1C(=[OH+])CN=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc21",
        "std_free_energy": 3.604707956314087,
        "relative_population": 0.05300087410416962
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.800000011920929,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]