[
  {
    "molid": "mol26431",
    "smiles": "Cc1nc2c(O)cc(N)cc2[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc2c(O)cc(N)cc2[nH]1",
        "std_free_energy": -4.913458824157715,
        "relative_population": 0.751999773303743
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1[nH]c2cc(N)cc([O-])c2[nH+]1",
        "std_free_energy": -3.8023719787597656,
        "relative_population": 0.24755905932896727
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH]c2cc(N)cc(O)c2[nH+]1",
        "std_free_energy": -6.956172943115234,
        "relative_population": 0.8716507446430611
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc2c(O)cc([NH3+])cc2[nH]1",
        "std_free_energy": -5.040134429931641,
        "relative_population": 0.1282973104335978
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]