pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.29999995231628	QSARToolbox	3	2	CC1(C)C[C@H]([NH3+])[C@@H]([NH3+])C(C)(C)[NH+]1[O]	CC1(C)C[C@H](N)[C@@H]([NH3+])C(C)(C)[NH+]1[O],CC1(C)C[C@H]([NH3+])[C@@H](N)C(C)(C)[NH+]1[O],CC1(C)C[C@H]([NH3+])[C@@H]([NH3+])C(C)(C)N1[O]	mol34906	CC1(C)C[C@H](N)[C@@H](N)C(C)(C)N1[O]