[
  {
    "molid": "mol26255",
    "smiles": "Cc1nc2c(N)nc[n+](C)c2nc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc2c(N)nc[n+](C)c2nc1[O-]",
        "std_free_energy": -5.413217544555664,
        "relative_population": 0.9987391811318541
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc2c(N)nc[n+](C)c2nc1O",
        "std_free_energy": 0.22527998685836792,
        "relative_population": 0.9671477764648818
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]