[
  {
    "molid": "mol26207",
    "smiles": "C[n+]1cnc(O)c2nccnc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1cnc([O-])c2nccnc21",
        "std_free_energy": -5.842114448547363,
        "relative_population": 0.9996031635693142
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cnc(O)c2nccnc21",
        "std_free_energy": 4.51084566116333,
        "relative_population": 0.9871079674392554
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]