pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.65000009536743	QSARToolbox	1	0	C=CCSS/C(CCO)=C(/C)N(C=O)Cc1c[nH+]c(C)nc1N,C=CCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1[NH3+],C=CCSS/C(CCO)=C(/C)N(C=[OH+])Cc1cnc(C)nc1N,C=CCSS/C(CC[OH2+])=C(/C)N(C=O)Cc1cnc(C)nc1N,C=CCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)[nH+]c1N	C=CCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N	mol36010	C=CCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N