[
  {
    "molid": "mol37166",
    "smiles": "O=P(O)(O)Cc1cc2c(cc1CP(=O)(O)O)OCCOCCOc1cc(CP(=O)(O)O)c(CP(=O)(O)O)cc1OCCOCCO2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)Cc1cc2c(cc1CP(=O)(O)O)OCCOCCOc1cc(CP(=O)(O)O)c(CP(=O)(O)O)cc1OCCOCCO2",
        "std_free_energy": 0.6850565671920776,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)Cc1cc2c(cc1CP(=O)(O)O)OCCOCCOc1cc(CP(=O)(O)O)c(CP(=O)(O)O)cc1OCCOCCO2",
        "std_free_energy": -7.155816078186035,
        "relative_population": 0.9973665588319549
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]