[
  {
    "molid": "mol35287",
    "smiles": "NNP(=O)(c1cccc(Br)c1)c1cccc(Br)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNP(=O)(c1cccc(Br)c1)c1cccc(Br)c1",
        "std_free_energy": -6.374151229858398,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]NP(=O)(c1cccc(Br)c1)c1cccc(Br)c1",
        "std_free_energy": 1.6295394897460938,
        "relative_population": 0.7222303306364323
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NNP(=[OH+])(c1cccc(Br)c1)c1cccc(Br)c1",
        "std_free_energy": 2.5850913524627686,
        "relative_population": 0.27776966936356773
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]