[
  {
    "molid": "mol37401",
    "smiles": "O=C(O)C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)O",
        "std_free_energy": -1.1689000129699707,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)O",
        "std_free_energy": -8.100444793701172,
        "relative_population": 0.2741732933428111
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C(O)C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)[O-]",
        "std_free_energy": -9.060866355895996,
        "relative_population": 0.7163593497051223
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]