[
  {
    "molid": "mol35812",
    "smiles": "Cc1cccc(P(=O)(NN)c2cccc(C)c2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(P(=O)(NN)c2cccc(C)c2)c1",
        "std_free_energy": -6.451869964599609,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(P(=O)(N[NH3+])c2cccc(C)c2)c1",
        "std_free_energy": 1.2285802364349365,
        "relative_population": 0.8501923763804731
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(P(=[OH+])(NN)c2cccc(C)c2)c1",
        "std_free_energy": 2.964690923690796,
        "relative_population": 0.14980762361952688
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.98000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]