[
  {
    "molid": "mol34882",
    "smiles": "CP(=O)(O)CNCCCNCP(C)(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[P@](=O)([O-])C[NH2+]CCC[NH2+]C[P@@](C)(=O)[O-]",
        "std_free_energy": -14.049389839172363,
        "relative_population": 0.9314361724096865
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[P@](=O)([O-])CNCCC[NH2+]C[P@@](C)(=O)[O-]",
        "std_free_energy": -12.36535358428955,
        "relative_population": 0.9989999446358412
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.90999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]