[
  {
    "molid": "mol35019",
    "smiles": "CC(C)(C)N(CP(=O)(O)O)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)(C)[NH+](CP(=O)([O-])O)CP(=O)([O-])O",
        "std_free_energy": -11.582281112670898,
        "relative_population": 0.7687254006513987
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC(C)(C)[NH+](CP(=O)([O-])[O-])CP(=O)(O)O",
        "std_free_energy": -10.310105323791504,
        "relative_population": 0.21541319706930045
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "CC(C)(C)[NH+](CP(=O)([O-])[O-])CP(=O)([O-])O",
        "std_free_energy": -13.585250854492188,
        "relative_population": 0.9958232549246322
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.15999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]