[
  {
    "molid": "mol7131",
    "smiles": "N=c1ncccn1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=c1ncccn1Cc1ccccc1",
        "std_free_energy": -1.0839943885803223,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N=c1[nH+]cccn1Cc1ccccc1",
        "std_free_energy": -8.292163848876953,
        "relative_population": 0.3121383721005433
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH2+]=c1ncccn1Cc1ccccc1",
        "std_free_energy": -9.082304954528809,
        "relative_population": 0.6878616278994567
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.11,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]