pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.59000015258789	QSARToolbox	1	0	CSS/C(CCO)=C(/C)N(C=O)Cc1c[nH+]c(C)nc1N,CSS/C(CCO)=C(/C)N(C=[OH+])Cc1cnc(C)nc1N,CSS/C(CC[OH2+])=C(/C)N(C=O)Cc1cnc(C)nc1N,CSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1[NH3+],CSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)[nH+]c1N	CSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N	mol35088	CSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N