[
  {
    "molid": "mol13675",
    "smiles": "Cn1cnc(/N=N/O)n1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cn1cnc(/N=N/O)n1",
        "std_free_energy": -4.713155269622803,
        "relative_population": 0.9999559412683345
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1cnc(/N=N/[O-])n1",
        "std_free_energy": -7.184061527252197,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.48,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.48000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]