[
  {
    "molid": "mol35223",
    "smiles": "NC(Cc1ccc(O)c(O)c1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "[NH3+][C@H](Cc1ccc(O)c(O)c1)P(=O)([O-])[O-]",
        "std_free_energy": -15.043972969055176,
        "relative_population": 0.9994397018420956
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "[NH3+][C@H](Cc1ccc(O)c([O-])c1)P(=O)([O-])[O-]",
        "std_free_energy": -5.925955772399902,
        "relative_population": 0.27106759854345014
      },
      {
        "id": "-2_7",
        "charge": -2,
        "smiles": "[NH3+][C@H](Cc1ccc([O-])c(O)c1)P(=O)([O-])[O-]",
        "std_free_energy": -6.110864162445068,
        "relative_population": 0.3261236555467363
      },
      {
        "id": "-2_10",
        "charge": -2,
        "smiles": "N[C@H](Cc1ccc(O)c(O)c1)P(=O)([O-])[O-]",
        "std_free_energy": -6.321962356567383,
        "relative_population": 0.40277367957868304
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.07999992370606,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]