[
  {
    "molid": "mol8209",
    "smiles": "Cc1cnc2ncncc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cnc2ncncc2n1",
        "std_free_energy": -7.982067108154297,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cnc2ncncc2[nH+]1",
        "std_free_energy": 0.907053530216217,
        "relative_population": 0.15131626762295344
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cnc2[nH+]cncc2n1",
        "std_free_energy": 0.09188959002494812,
        "relative_population": 0.3419060781980401
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cnc2nc[nH+]cc2n1",
        "std_free_energy": 0.10551825165748596,
        "relative_population": 0.33727796507744684
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1c[nH+]c2ncncc2n1",
        "std_free_energy": 0.7935745716094971,
        "relative_population": 0.16949968910155952
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.89,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]