[
  {
    "molid": "mol30070",
    "smiles": "Nc1nc2c(ncn2[C@@H]2C[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "Nc1nc2c(ncn2[C@@H]2C[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2[O-])c(=O)[nH]1",
        "std_free_energy": 4.2394118309021,
        "relative_population": 0.12184165867504862
      },
      {
        "id": "-4_5",
        "charge": -4,
        "smiles": "[NH-]c1nc2c(ncn2[C@@H]2C[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1",
        "std_free_energy": 3.66072678565979,
        "relative_population": 0.21732792050303484
      },
      {
        "id": "-4_8",
        "charge": -4,
        "smiles": "Nc1nc2c(ncn2[C@@H]2C[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[n-]1",
        "std_free_energy": 3.0140652656555176,
        "relative_population": 0.4149130114485012
      },
      {
        "id": "-4_23",
        "charge": -4,
        "smiles": "Nc1nc2c(ncn2[C@@H]2C[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H]([O-])[C@H]2O)c(=O)[nH]1",
        "std_free_energy": 4.43914794921875,
        "relative_population": 0.09978184008944754
      },
      {
        "id": "-3_7",
        "charge": -3,
        "smiles": "Nc1nc2c(ncn2[C@@H]2C[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1",
        "std_free_energy": -10.059835433959961,
        "relative_population": 0.9999763791331682
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.56,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]