[
  {
    "molid": "mol35683",
    "smiles": "Cc1ccc(S(=O)(=O)NNP(=O)(Oc2ccc(I)cc2)N(CCCl)CCCl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(S(=O)(=O)NN[P@@](=O)(Oc2ccc(I)cc2)N(CCCl)CCCl)cc1",
        "std_free_energy": -6.7914252281188965,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(S(=O)(=O)[NH2+]N[P@@](=O)(Oc2ccc(I)cc2)N(CCCl)CCCl)cc1",
        "std_free_energy": 4.294920444488525,
        "relative_population": 0.9922607056405622
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]