[
  {
    "molid": "mol34615",
    "smiles": "COc1ccc(P(=O)(NN)c2ccc(OC)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(P(=O)(NN)c2ccc(OC)cc2)cc1",
        "std_free_energy": -6.159860610961914,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(P(=O)(N[NH3+])c2ccc(OC)cc2)cc1",
        "std_free_energy": 0.45920026302337646,
        "relative_population": 0.8357122643347323
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc(P(=[OH+])(NN)c2ccc(OC)cc2)cc1",
        "std_free_energy": 2.0858652591705322,
        "relative_population": 0.1642877356652676
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.11999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]