[
  {
    "molid": "mol34815",
    "smiles": "CC(Nc1ccccc1C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[C@H](Nc1ccccc1C(=O)O)C(=O)O",
        "std_free_energy": -2.6065359115600586,
        "relative_population": 0.9708800086770865
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H]([NH2+]c1ccccc1C(=O)[O-])C(=O)[O-]",
        "std_free_energy": -6.899326801300049,
        "relative_population": 0.051743193425619956
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@H](Nc1ccccc1C(=O)O)C(=O)[O-]",
        "std_free_energy": -9.486263275146484,
        "relative_population": 0.6876151932573357
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "C[C@H](Nc1ccccc1C(=O)[O-])C(=O)O",
        "std_free_energy": -8.515725135803223,
        "relative_population": 0.26052302108885983
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.11999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]