[
  {
    "molid": "mol7365",
    "smiles": "CN=c1ncccn1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN=c1ncccn1C",
        "std_free_energy": -0.5390965342521667,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN=c1[nH+]cccn1C",
        "std_free_energy": -8.524262428283691,
        "relative_population": 0.20262094348602966
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+]=c1ncccn1C",
        "std_free_energy": -9.894255638122559,
        "relative_population": 0.7973790565139705
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]