[
  {
    "molid": "mol32561",
    "smiles": "O=P(O)(O)c1cn2c(n1)C(O)C(O)C(O)C2CO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=P([O-])(O)c1cn2c([nH+]1)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2CO",
        "std_free_energy": -8.046060562133789,
        "relative_population": 0.9533589916659543
      },
      {
        "id": "-1_3",
        "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": -10.980966567993164,
        "relative_population": 0.46629666663815367
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2CO",
        "std_free_energy": -11.115983963012695,
        "relative_population": 0.5337029710806299
      },
      {
        "id": "-2_13",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2CO",
        "std_free_energy": -7.564661026000977,
        "relative_population": 0.9999940960870545
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8400002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.6900001,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]