[
  {
    "molid": "mol4051",
    "smiles": "CN1C=C(O)C=CN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C=C(O)C=CN1",
        "std_free_energy": -7.257437229156494,
        "relative_population": 0.9609083276493378
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1C=C(O)C=C[NH2+]1",
        "std_free_energy": 1.8625503778457642,
        "relative_population": 0.6461053265666143
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+]1C=C(O)C=CN1",
        "std_free_energy": 2.466402053833008,
        "relative_population": 0.35322698197716973
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.71,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]