[
  {
    "molid": "mol26526",
    "smiles": "Cc1cc2nc(-c3ccccc3)[nH]c2cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2nc(-c3ccccc3)[nH]c2cc1C",
        "std_free_energy": -6.1419219970703125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2[nH]c(-c3ccccc3)[nH+]c2cc1C",
        "std_free_energy": -3.655977964401245,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]