[
  {
    "molid": "mol36751",
    "smiles": "O=[N+]([O-])OCCCCC(O)(P(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])OCCCCC(O)(P(=O)([O-])O)P(=O)(O)O",
        "std_free_energy": -10.9910888671875,
        "relative_population": 0.9987125283696834
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])OCCCCC(O)(P(=O)([O-])[O-])P(=O)(O)O",
        "std_free_energy": -12.382938385009766,
        "relative_population": 0.24762417887884927
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=[N+]([O-])OCCCCC(O)(P(=O)([O-])O)P(=O)([O-])O",
        "std_free_energy": -13.49388599395752,
        "relative_population": 0.7520928581992117
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.84999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]