[
  {
    "molid": "mol35285",
    "smiles": "NNP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
        "std_free_energy": -6.324880599975586,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NNP(=[OH+])(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
        "std_free_energy": 2.668562412261963,
        "relative_population": 0.28259478930198473
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]NP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
        "std_free_energy": 1.7369356155395508,
        "relative_population": 0.7174052106980153
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]