[
  {
    "molid": "mol7340",
    "smiles": "Cc1ccnc(=N)n1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccnc(=N)n1C",
        "std_free_energy": -0.2973988354206085,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccnc(=[NH2+])n1C",
        "std_free_energy": -9.641267776489258,
        "relative_population": 0.7844622677223781
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc[nH+]c(=N)n1C",
        "std_free_energy": -8.349405288696289,
        "relative_population": 0.21553773227762188
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.86,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]