[
  {
    "molid": "mol31519",
    "smiles": "N/C(=N\\O)c1cccnc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N/C(=N\\O)c1cccnc1",
        "std_free_energy": -6.988852500915527,
        "relative_population": 0.9998522110763576
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N/C(=N\\[O-])c1cccnc1",
        "std_free_energy": 3.5542807579040527,
        "relative_population": 0.9474064752045734
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH-]/C(=N\\O)c1cccnc1",
        "std_free_energy": 6.44541597366333,
        "relative_population": 0.05259352479542657
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]