[
  {
    "molid": "mol35577",
    "smiles": "Cc1ccc(Nc2ccccc2C(=O)O)cc1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(Nc2ccccc2C(=O)O)cc1C",
        "std_free_energy": -5.311933994293213,
        "relative_population": 0.9992683978173323
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc([NH2+]c2ccccc2C(=O)O)cc1C",
        "std_free_energy": 9.707671165466309,
        "relative_population": 0.15328416758860344
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(Nc2ccccc2C(O)=[OH+])cc1C",
        "std_free_energy": 7.998599529266357,
        "relative_population": 0.8467158324113965
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.13000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]