pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.51999998092651	QSARToolbox	1	0	CCCSS/C(CC[OH2+])=C(/C)N(C=O)Cc1cnc(C)nc1N,CCCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)[nH+]c1N,CCCSS/C(CCO)=C(/C)N(C=O)Cc1c[nH+]c(C)nc1N,CCCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1[NH3+]	CCCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N	mol35614	CCCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N