[
  {
    "molid": "mol35766",
    "smiles": "O=C1NC(=O)[C@@H](Cc2ccccc2)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)[C@@H](Cc2ccccc2)N1",
        "std_free_energy": -6.771545886993408,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-][C@H](Cc2ccccc2)C(=O)N1",
        "std_free_energy": 0.30354976654052734,
        "relative_population": 0.2273980062284834
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)[C@@H](Cc2ccccc2)N1",
        "std_free_energy": -0.9195124506950378,
        "relative_population": 0.7726019937715166
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.64999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]