[
  {
    "molid": "mol33208",
    "smiles": "N=C(N)NC(=N)Nc1ccc2cc3ccccc3cc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)NC(=N)Nc1ccc2cc3ccccc3cc2c1",
        "std_free_energy": -0.9091143608093262,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N=C(NC(N)=[NH2+])Nc1ccc2cc3ccccc3cc2c1",
        "std_free_energy": -9.728745460510254,
        "relative_population": 0.64701864897595
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N=C(N)NC(=[NH2+])Nc1ccc2cc3ccccc3cc2c1",
        "std_free_energy": -9.122785568237305,
        "relative_population": 0.3529813510240499
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]