[
  {
    "molid": "mol35243",
    "smiles": "NCC(=O)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCC(=O)Nc1ccc(Cl)cc1",
        "std_free_energy": -4.868682861328125,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]CC(=O)Nc1ccc(Cl)cc1",
        "std_free_energy": -8.52065372467041,
        "relative_population": 0.999886876492732
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.52000045776367,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.28999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]