[
  {
    "molid": "mol35736",
    "smiles": "O=C(N/N=C/c1ccco1)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(N/N=C/c1ccco1)c1ccncc1",
        "std_free_energy": -6.762311935424805,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(N/N=C/c1ccco1)c1cc[nH+]cc1",
        "std_free_energy": 0.7246706485748291,
        "relative_population": 0.7214665741274737
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[OH+]=C(N/N=C/c1ccco1)c1ccncc1",
        "std_free_energy": 3.059130907058716,
        "relative_population": 0.069883235874282
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C(N/[NH+]=C/c1ccco1)c1ccncc1",
        "std_free_energy": 1.9652975797653198,
        "relative_population": 0.20865018999824425
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.73000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]