[
  {
    "molid": "mol29863",
    "smiles": "Cc1cn(C2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O",
        "std_free_energy": -1.3191277980804443,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])O)O2)c(=O)[nH]c1=O",
        "std_free_energy": -12.067519187927246,
        "relative_population": 0.9999807263992383
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]