[
  {
    "molid": "mol35575",
    "smiles": "Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2cccc(O)c2C3=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2cccc(O)c2C3=O)cc1",
        "std_free_energy": -6.13776969909668,
        "relative_population": 0.999999448240497
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc([N-]c2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2c(O)cccc2C3=O)cc1",
        "std_free_energy": -0.07503850758075714,
        "relative_population": 0.1389525146398794
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2cccc([O-])c2C3=O)cc1",
        "std_free_energy": -1.7576487064361572,
        "relative_population": 0.7475060899518369
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ccc([N-]c2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2cccc(O)c2C3=O)cc1",
        "std_free_energy": 0.1269262582063675,
        "relative_population": 0.11354139540828369
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]