[
  {
    "molid": "mol29819",
    "smiles": "O=C/C=C/Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C/C=C/Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1",
        "std_free_energy": -7.365883827209473,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C/C=C/[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1",
        "std_free_energy": 0.3128006160259247,
        "relative_population": 0.9995201868955176
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]