[
  {
    "molid": "mol37133",
    "smiles": "O=[N+]([O-])OCC(CCCC(P(=O)(O)O)P(=O)(O)O)O[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])OC[C@H](CCCC(P(=O)([O-])O)P(=O)(O)O)O[N+](=O)[O-]",
        "std_free_energy": -9.983797073364258,
        "relative_population": 0.9999428492951173
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=[N+]([O-])OC[C@H](CCCC(P(=O)([O-])[O-])P(=O)(O)O)O[N+](=O)[O-]",
        "std_free_energy": -12.002575874328613,
        "relative_population": 0.30814238707344843
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=[N+]([O-])OC[C@H](CCCC(P(=O)([O-])O)P(=O)([O-])O)O[N+](=O)[O-]",
        "std_free_energy": -12.811370849609375,
        "relative_population": 0.69184154426528
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.71000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]