[
  {
    "molid": "mol32761",
    "smiles": "CC(C)N(C)C=Nc1ccc(-c2c[nH]cn2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)N(C)C=Nc1ccc(-c2c[nH]cn2)cc1",
        "std_free_energy": -3.04384183883667,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)N(C)C=Nc1ccc(-c2c[nH]c[nH+]2)cc1",
        "std_free_energy": -6.674031734466553,
        "relative_population": 0.15982648574740443
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)N(C)C=[NH+]c1ccc(-c2c[nH]cn2)cc1",
        "std_free_energy": -8.333551406860352,
        "relative_population": 0.8401735142525956
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7200003,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]