[
  {
    "molid": "mol7120",
    "smiles": "NC1CN=CNC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[C@H]1CNC=[NH+]C1",
        "std_free_energy": -8.885051727294922,
        "relative_population": 0.6972450631080529
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1CN=CNC1",
        "std_free_energy": -8.050838470458984,
        "relative_population": 0.30275493689194705
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+][C@H]1CNC=[NH+]C1",
        "std_free_energy": -7.315702438354492,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.89,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]