[
  {
    "molid": "mol25906",
    "smiles": "Cc1ccc(-c2nnn(C)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2nnn(C)n2)cc1",
        "std_free_energy": -6.654568672180176,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(-c2nn(C)n[nH+]2)cc1",
        "std_free_energy": 10.840234756469727,
        "relative_population": 0.3790467660471405
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(-c2nnn(C)[nH+]2)cc1",
        "std_free_energy": 11.38436508178711,
        "relative_population": 0.21997837925667896
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccc(-c2n[nH+]n(C)n2)cc1",
        "std_free_energy": 10.783995628356934,
        "relative_population": 0.4009748546961806
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]