[
  {
    "molid": "mol33210",
    "smiles": "CCCCN=C(N)NC(=N)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCN=C(N)NC(=N)N",
        "std_free_energy": 0.7588273882865906,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCN=C(N)NC(=[N-])N",
        "std_free_energy": 7.299276828765869,
        "relative_population": 0.932465166167985
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCCCN=C(N)[N-]C(=N)N",
        "std_free_energy": 10.079715728759766,
        "relative_population": 0.05782336284667696
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2799997329712,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]