[
  {
    "molid": "mol38363",
    "smiles": "CCNCCOP(=O)(O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[NH2+]CCO[P@@](=O)([O-])Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": -11.539000511169434,
        "relative_population": 0.9999915570490359
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCNCCO[P@@](=O)([O-])Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": -6.688112735748291,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.39999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]