[
  {
    "molid": "mol37939",
    "smiles": "O=P(O)(O)c1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO",
        "std_free_energy": -11.275747299194336,
        "relative_population": 0.688077647256262
      },
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "O=P([O-])([O-])c1cn2c([nH+]1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO",
        "std_free_energy": -10.484598159790039,
        "relative_population": 0.3119218112843569
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO",
        "std_free_energy": -7.587214469909668,
        "relative_population": 0.9999940347689156
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.69000005722046,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]