[
  {
    "molid": "mol26236",
    "smiles": "OC1=Nc2ncncc2NC1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "OC1=Nc2ncncc2N[C@H]1O",
        "std_free_energy": -6.477169036865234,
        "relative_population": 0.9999187682808981
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC1=[NH+]c2ncncc2N[C@H]1O",
        "std_free_energy": 4.484598636627197,
        "relative_population": 0.1471187990039707
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "OC1=Nc2nc[nH+]cc2N[C@H]1O",
        "std_free_energy": 3.2130134105682373,
        "relative_population": 0.5246994607409039
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "OC1=Nc2[nH+]cncc2N[C@H]1O",
        "std_free_energy": 3.7855403423309326,
        "relative_population": 0.29598202057601175
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]