[
  {
    "molid": "mol25907",
    "smiles": "Cc1ccccc1-c1nnn(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1-c1nnn(C)n1",
        "std_free_energy": -6.491336822509766,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1-c1n[nH+]n(C)n1",
        "std_free_energy": 10.753758430480957,
        "relative_population": 0.47979674842205833
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccccc1-c1nn(C)n[nH+]1",
        "std_free_energy": 11.368538856506348,
        "relative_population": 0.25945470688056926
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccccc1-c1nnn(C)[nH+]1",
        "std_free_energy": 11.363564491271973,
        "relative_population": 0.26074854469737246
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]