[
  {
    "molid": "mol35735",
    "smiles": "O=C(N/N=C/c1ccco1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(N/N=C/c1ccco1)c1ccccc1",
        "std_free_energy": -6.6747894287109375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(N/[NH+]=C/c1ccco1)c1ccccc1",
        "std_free_energy": 5.384222030639648,
        "relative_population": 0.9686788249100053
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.19000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]