[
  {
    "molid": "mol2524",
    "smiles": "CNc1ncc(C(N)=O)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ncc(C(N)=O)cn1",
        "std_free_energy": -8.06321907043457,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1ncc(C(N)=O)c[nH+]1",
        "std_free_energy": 0.21018053591251373,
        "relative_population": 0.3808952818200047
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]c1ncc(C(N)=O)cn1",
        "std_free_energy": -0.2755694091320038,
        "relative_population": 0.6191047181799954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.05,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]