[
  {
    "molid": "mol29747",
    "smiles": "Nc1nc2c(nc(O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1nc2c(nc(O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1",
        "std_free_energy": -6.1522932052612305,
        "relative_population": 0.999996175839619
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1nc2c(nc([O-])n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1",
        "std_free_energy": -3.74824595451355,
        "relative_population": 0.5955349349867599
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1nc2c(nc(O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]1",
        "std_free_energy": -3.361262321472168,
        "relative_population": 0.40442909028723856
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]