[
  {
    "molid": "mol18334",
    "smiles": "N=C(N)Nc1ccc(Cc2ccc(NC(=N)N)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)Nc1ccc(Cc2ccc(NC(=N)N)cc2)cc1",
        "std_free_energy": -0.6418724656105042,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N=C(N)Nc1ccc(Cc2ccc(NC(N)=[NH2+])cc2)cc1",
        "std_free_energy": -9.209027290344238,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]