[
  {
    "molid": "mol36750",
    "smiles": "O=[N+]([O-])OCC(CCCC(O)(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(O)(P(=O)([O-])O)P(=O)(O)O)O[N+](=O)[O-]",
        "std_free_energy": -10.002595901489258,
        "relative_population": 0.9683592957424413
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=[N+]([O-])OC[C@@H](CCCC(O)(P(=O)([O-])O)P(=O)([O-])O)O[N+](=O)[O-]",
        "std_free_energy": -13.316765785217285,
        "relative_population": 0.663373270223904
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=[N+]([O-])OC[C@@H](CCCC(O)(P(=O)([O-])[O-])P(=O)(O)O)O[N+](=O)[O-]",
        "std_free_energy": -12.637984275817871,
        "relative_population": 0.3364859262227361
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.10999989509583,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]