[
  {
    "molid": "mol36027",
    "smiles": "Cc1nnc(CN)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nnc(CN)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl",
        "std_free_energy": -5.896705627441406,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nnc(C[NH3+])n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl",
        "std_free_energy": -3.7724504470825195,
        "relative_population": 0.9824115193875707
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]