[
  {
    "molid": "mol35280",
    "smiles": "NNP(=O)(Oc1ccc(Cl)cc1)N(CCCl)CCCl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NN[P@](=O)(Oc1ccc(Cl)cc1)N(CCCl)CCCl",
        "std_free_energy": -5.99887752532959,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[N-][P@](=O)(Oc1ccc(Cl)cc1)N(CCCl)CCCl",
        "std_free_energy": 2.5566322803497314,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2600002288818,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]