[
  {
    "molid": "mol7339",
    "smiles": "Cc1ccn(C)c(=N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccn(C)c(=N)n1",
        "std_free_energy": -0.763799250125885,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccn(C)c(=N)[nH+]1",
        "std_free_energy": -8.715483665466309,
        "relative_population": 0.24239069339522704
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccn(C)c(=[NH2+])n1",
        "std_free_energy": -9.855100631713867,
        "relative_population": 0.757609306604773
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.05,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]