[
  {
    "molid": "mol25740",
    "smiles": "Cc1cc(Cl)nc(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cl)nc(N)n1",
        "std_free_energy": -7.346155643463135,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(Cl)nc(N)[nH+]1",
        "std_free_energy": 0.07961883395910263,
        "relative_population": 0.3672500662563026
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(Cl)[nH+]c(N)n1",
        "std_free_energy": 0.34019848704338074,
        "relative_population": 0.2830046538992453
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc(Cl)nc([NH3+])n1",
        "std_free_energy": 0.128456711769104,
        "relative_population": 0.3497452798444521
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]