[
  {
    "molid": "mol37750",
    "smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -7.927907943725586,
        "relative_population": 0.9876357175814094
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)[N-][C@@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": 2.2597365379333496,
        "relative_population": 0.09232480753172961
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "N[C@@H](Cc1ccc([O-])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -0.02452448010444641,
        "relative_population": 0.9064844662559904
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.97999954223633,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]