pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1100001335144	QSARToolbox	3	2	CC1(C)[NH+]=C(NCC[NH3+])C(C)(C)[NH+]1[O]	CC1(C)[NH+]=C(NCC[NH3+])C(C)(C)N1[O],CC1(C)N=C(NCC[NH3+])C(C)(C)[NH+]1[O]	mol34914	CC1(C)N=C(NCCN)C(C)(C)N1[O]