[
  {
    "molid": "mol11802",
    "smiles": "Cc1ncc(CO)c(C=NC(C(=O)O)C(C)OP(=O)(O)O)c1O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "Cc1ncc(CO)c(C=N[C@H](C(=O)[O-])[C@@H](C)OP(=O)([O-])[O-])c1[O-]",
        "std_free_energy": 1.0108447074890137,
        "relative_population": 1.0
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "Cc1ncc(CO)c(C=N[C@H](C(=O)[O-])[C@@H](C)OP(=O)([O-])[O-])c1O",
        "std_free_energy": -9.577413558959961,
        "relative_population": 0.9774590079118615
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.48,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]