[
  {
    "molid": "mol26248",
    "smiles": "Cc1ncnc2c1NC(O)C(O)N2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncnc2c1N[C@@H](O)[C@H](O)N2",
        "std_free_energy": -6.3697099685668945,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]cnc2c1N[C@@H](O)[C@H](O)N2",
        "std_free_energy": -2.6490561962127686,
        "relative_population": 0.3556839329400735
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ncnc2c1[NH2+][C@@H](O)[C@H](O)N2",
        "std_free_energy": -1.9882307052612305,
        "relative_population": 0.18368402329654535
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ncnc2c1N[C@@H](O)[C@H](O)[NH2+]2",
        "std_free_energy": -2.1171247959136963,
        "relative_population": 0.2089533679847051
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1nc[nH+]c2c1N[C@@H](O)[C@H](O)N2",
        "std_free_energy": -2.3031668663024902,
        "relative_population": 0.2516786757786762
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]