[
  {
    "molid": "mol36353",
    "smiles": "O=C(O)[C@H]1OCCOCCO[C@H](C(=O)O)[C@H](C(=O)O)OCCOCCO[C@H]1C(=O)O",
    "microspecies": [
      {
        "id": "-3_7",
        "charge": -3,
        "smiles": "O=C([O-])[C@H]1OCCOCCO[C@H](C(=O)[O-])[C@H](C(=O)O)OCCOCCO[C@H]1C(=O)[O-]",
        "std_free_energy": -10.91381549835205,
        "relative_population": 0.999552110364198
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C(O)[C@H]1OCCOCCO[C@H](C(=O)O)[C@H](C(=O)[O-])OCCOCCO[C@H]1C(=O)[O-]",
        "std_free_energy": -9.732257843017578,
        "relative_population": 0.5073217577000364
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C([O-])[C@H]1OCCOCCO[C@H](C(=O)O)[C@H](C(=O)[O-])OCCOCCO[C@H]1C(=O)O",
        "std_free_energy": -9.610696792602539,
        "relative_population": 0.44925218191897776
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.94000005722046,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]