[
  {
    "molid": "mol38411",
    "smiles": "CP(=O)(O)CNCCNCP(C)(=O)O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[P@](=O)([O-])CNCC[NH2+]C[P@](C)(=O)[O-]",
        "std_free_energy": -13.251921653747559,
        "relative_population": 0.9970285562640018
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "C[P@](=O)([O-])CNCCNC[P@](C)(=O)[O-]",
        "std_free_energy": -6.501955032348633,
        "relative_population": 0.9999989556662291
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]