pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.47999954223633	QSARToolbox	2	1	NC(=[NH2+])SCCC[NH3+]	N=C(N)SCCC[NH3+],NCCCSC(N)=[NH2+]	mol28019	N=C(N)SCCCN
8.0	AttenGpKa training set	2	1	NC(=[NH2+])SCCC[NH3+]	N=C(N)SCCC[NH3+],NCCCSC(N)=[NH2+]	mol28019	N=C(N)SCCCN