[
  {
    "molid": "mol37094",
    "smiles": "COCCNC(c1ccccc1)C(C=O)C=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCCN[C@@H](c1ccccc1)C(C=O)C=O",
        "std_free_energy": -3.5058341026306152,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COCCN[C@@H](c1ccccc1)[C-](C=O)C=O",
        "std_free_energy": 0.0763961672782898,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]