[
  {
    "molid": "mol38045",
    "smiles": "CC(=O)Nc1ccc2cc3ccc(N)cc3nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1ccc2cc3ccc(N)cc3nc2c1",
        "std_free_energy": -5.936871528625488,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=O)Nc1ccc2cc3ccc(N)cc3[nH+]c2c1",
        "std_free_energy": -9.267585754394531,
        "relative_population": 0.7561152155384026
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(=O)Nc1ccc2cc3ccc([NH3+])cc3nc2c1",
        "std_free_energy": -8.068242073059082,
        "relative_population": 0.22788704390832687
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]