[
  {
    "molid": "mol25290",
    "smiles": "Cc1n[nH]c(C)c1[N+]#N",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1n[nH]c(C)c1[N+]#N",
        "std_free_energy": 1.8445558547973633,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1[nH][nH+]c(C)c1[N+]#N",
        "std_free_energy": 15.210088729858398,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.81,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]