ELEMENTS H O C N HE AR END SPECIES ! Biradicals : B1O B2CO B3C B4CH B5CH2 B6CH2 ! Primary molecules : ! Reactants: C8H16Z-1 H2 H2O O2 H2O2 CH4 HCHO CH3OH CO2 CH3OOH C2H2T C2H4Z C2H6 CH2COZ CH3CHO C2H5OH C2H5OOH CH3COOOH C3H6Y C3H8 C4H8Y C4H10 !C4H10 C2H5CHO C3H7OH C2H6CO C3H8CO C4H6Z2 C2H3CHOZ C8H16Z-1 C8H16Z C2H5COOOH C3H7COOOH C6H11COOOHZ C5H9COOOHZ C4H7COOOHZ C3H5COOOHZ C4H9COOOH C7H13COOOHZ C5H11COOOH !C7H15COOOH C8KET12 ! ch3/ch2/ch2/ch2/ch2/ch2/ch(/o/oh)/ch(//o) C8KET13 ! ch3/ch2/ch2/ch2/ch2/ch(/o/oh)/ch2/ch(//o) C8KET14 ! ch3/ch2/ch2/ch2/ch(/o/oh)/ch2/ch2/ch(//o) C8KET15 ! ch3/ch2/ch2/ch(/o/oh)/ch2/ch2/ch2/ch(//o) C8KET16 ! ch3/ch2/ch2(/o/oh)/ch2/ch2/ch2/ch2/ch(//o) C8KET17 ! ch3/ch2(/o/oh)/ch2/ch2/ch2/ch2/ch2/ch(//o) C8KET18 ! ch2(/o/oh)/ch2/ch2/ch2/ch2/ch2/ch2/ch(//o) C8KET21 ! ch3/ch2/ch2/ch2/ch2/ch2/c(//o)/ch2(/o/oh) C8KET23 ! ch3/ch2/ch2/ch2/ch2/ch(/o/oh)/c(//o)/ch3 C8KET24 ! ch3/ch2/ch2/ch2/ch(/o/oh)/ch2/c(//o)/ch3 C8KET25 ! ch3/ch2/ch2/ch(/o/oh)/ch2/ch2/c(//o)/ch3 C8KET26 ! ch3/ch2/ch2(/o/oh)/ch2/ch2/ch2/c(//o)/ch3 C8KET27 ! ch3/ch2(/o/oh)/ch2/ch2/ch2/ch2/c(//o)/ch3 C8KET28 ! ch2(/o/oh)/ch2/ch2/ch2/ch2/ch2/c(//o)/ch3 C8KET31 ! ch3/ch2/ch2/ch2/ch2/c(//o)/ch2/ch2(/o/oh) C8KET32 ! ch3/ch2/ch2/ch2/ch2/c(//o)/ch(/o/oh)/ch3 C8KET34 ! ch3/ch2/ch2/ch2/ch(/o/oh)/c(//o)/ch2/ch3 C8KET35 ! ch3/ch2/ch2/ch(/o/oh)/ch2/c(//o)/ch2/ch3 C8KET36 ! ch3/ch2/ch(/o/oh)/ch2/ch2/c(//o)/ch2/ch3 C8KET37 ! ch3/ch(/o/oh)/ch2/ch2/ch2/c(//o)/ch2/ch3 C8KET38 ! ch2(/o/oh)/ch2/ch2/ch2/ch2/c(//o)/ch2/ch3 C8KET41 ! ch3/ch2/ch2/ch2/c(//o)/ch2/ch2/ch2(/o/oh) C8KET42 ! ch3/ch2/ch2/ch2/c(//o)/ch2/ch(/o/oh)/ch3 C8KET43 ! ch3/ch2/ch2/ch2/c(//o)/ch(/o/oh)/ch2/ch3 C8KET45 ! ch3/ch2/ch2/ch(/o/oh)/c(//o)/ch2/ch2/ch3 C8KET46 ! ch3/ch2/ch(/o/oh)/ch2/c(//o)/ch2/ch2/ch3 C8KET47 ! ch3/ch(/o/oh)/ch2/ch2/c(//o)/ch2/ch2/ch3 C8KET48 ! ch2(/o/oh)/ch2/ch2/ch2/c(//o)/ch2/ch2/ch3 C7H14OHCOOOH C6H13COOOH C8H17COOOH C6H11OCOOOH C2H3COOOHZ C2H4OHCOOOH C3H6OHCOOOH C5H10COCHOOOH C4H8OHCOOOH C5H10OHCOOOH CH2COCHOOOH C2H4COCHOOOH C3H6COCHOOOH C2H3OCOOOH C6H13CHO C8H14Z2 C8H14Z213 C5H8Z2 C6H12Z C5H10Z C6H10Z2 C7H12Z2 C3H5OHZ C8H15OHZ C3H4Z2 C8H15OOHZ C8H15OOHZ-1 !< m49 > ch3/ch2/ch2/ch2/ch2/ch(/o/oh)/ch//ch2 C8H15OOHZ-2 !< m50 > ch2(/o/oh)/ch//ch/ch2/ch2/ch2/ch2/ch3 C7H14Z C8H16OHOOH C6H11OHZ C7H13OHZ C5H9OHZ C3H5OOHZ C3H5OOHZ-1 !< m76 > ch2(/o/oh)/ch//ch2 C4H7OOHZ C4H7OOHZ-1 !< m132 > ch3/ch(/o/oh)/ch//ch2 C4H7OOHZ-2 !< m344 > ch2(/o/oh)/ch//ch/ch3 C5H9OOHZ C5H9OOHZ-1 !< m124 > ch3/ch2/ch(/o/oh)/ch//ch2 C5H9OOHZ-2 !< m435 > ch2(/o/oh)/ch//ch/ch2/ch3 C7H11OOHZ2 C6H9OOHZ2 C5H7OOHZ2 C4H5OOHZ2 C3H3OOHZ2 C6H12CHOOOH C6H11OOHZ C6H11OOHZ-1 !< m117 > ch3/ch2/ch2/ch(/o/oh)/ch//ch2 C6H11OOHZ-2 !< m413 > ch2(/o/oh)/ch//ch/ch2/ch2/ch3 C8H13OOHZ2 C3H3OOHT C5H11CHO C7H12T C7H13OOHZ C7H13OOHZ-1 !< m223 > ch3/ch2/ch2/ch2/ch(/o/oh)/ch//ch2 C7H13OOHZ-2 !< m487 > ch2(/o/oh)/ch//ch/ch2/ch2/ch2/ch3 C8H14OHOOHZ C7H14CHOOOH C4H6OHOOHZ C5H8OHOOHZ C6H10OHOOHZ C7H12OHOOHZ C7H15CHO C4H7OHZ C3H4OHOOHZ C3H5OHY C7H16CO C9H18Z C4H7OOHY C9H18Y C5H10Y C3H7CHO C6H11CHOZ !< m379 > ch(//o)/ch//ch/ch2/ch2/ch2/ch3 C6H10T C5H9CHOZ C5H8T C4H7CHOZ C3H5CHOZ C4H9CHO C6H12COZ !< m272 > ch3/ch2/ch2/ch2/c(//o)/ch//ch2 update therm with thergas C7H14COZ !< m197 > ch3/ch2/ch2/ch2/ch2/c(//o)/ch//ch2 update therm with thergas C7H13CHOZ !ch(//o)/ch//ch/ch2/ch2/ch2/ch2/ch3 update therm with thergas C3H5OOHY C7H15OHCO C7H14OHCHO C8H18CO C8H17CHO C5H10COZ C4H10CO C4H6CHOOOHZ C5H8CHOOOHZ C5H12CO C5H11COCHO C4H8OHCHO C5H10OHCHO C3H6OHCHO C6H14CO C4H8COZ C3H4CHOOOHZ C2H2CHOOOHZ C5H10CHO2 CH2CHO2 C2H4CHO2 C3H6CHO2 C4H9OHCO C5H11OHCO C2H4OHCHO C4H7OHY C6H12Y C7H14Y C5H9OOHY C3H6COZ C3H7COCHO C4H5OOHT C3H7OHCO C16H32Z C3H7OOH C8H15CHOZ C9H17OHZ C4H9OH C9H18OZ C4H10O C9H18OOZ C4H10OO C10H20Z C5H12 C11H22Z C6H14 C4H9OOH C5H11OOH C6H13OOH C8H17OOH C7H15OOH C9H19OOH C3H6OHOOH C4H8OHOOH C5H10OHOOH C6H12OHOOH C2H4CHOOOH C3H6CHOOOH C4H8CHOOOH ! Secondary molecules : C3H4YZ C4H6YZ C14H29CHO C9H16Z2 C9H19CHO C7H13OHY C7H13OOHY C8H16Y C7H13CHOY C8H15OHY C8H16OOY C14H26Y2 C13H24Y2 C16H30Y2 C15H28Y2 C6H11OHY C6H11OOHY C6H11CHOY C7H14OOY C12H22Y2 C9H17OHY C9H17OOHY C10H20Y C9H17CHOY C10H19OHY C10H20OOY C11H22Y C18H34Y2 C17H32Y2 C8H15OOHY C8H15CHOY C9H18OOY C14H28Z ! Cyclic primary molecules : C2H4O#3 C3H6O#3 C3H6O#4 C4H8O#3 C4H8O#4 C4H8O#5 C7H12O#3Z C7H12O#4Z C7H12O#5Z C7H12O#6Z C6H10O#3Z C6H10O#4Z C6H10O#5Z C6H10OZ#6 C5H8O#3Z C5H8O#4Z C5H8OZ#6 C5H8OZ#5 C4H6O#3Z C4H6OZ#5 C4H6OZ#4 C3H4OZ#4 C5H10O#3 C5H10O#4 C5H10O#5 C5H10O#6 C8H14OZ#3 C8H14OZ#4 C8H14O#3Z C8H14O#4Z C8H14O#5Z C8H14O#6Z C6H12O#3 C6H12O#4 C6H12O#5 C6H12O#6 C8H14OZ#5 C8H14OZ#6 C8H16O#3 C8H16O#4 C8H16O#5 C8H16O#6 C8H15O#3OH C8H15O#4OH C8H15O#5OH C8H15O#6OH C7H14O#3 C7H14O#4 C7H14O#5 C7H14O#6 C9H18O#3 C9H18O#4 C9H18O#5 C9H18O#6 C7H12OZ#5 C7H12OZ#4 C7H12OZ#3 C6H10OZ#3 C6H10OZ#4 C6H12O#3CO C6H12O#4CO C6H12O#5CO C6H12O#6CO C3H5O#3OH C4H7O#4OH C3H5O#4OH C7H12OZ#6 C6H10OZ#5 C5H8OZ#4 C6H11O#4CHO C6H11O#5CHO C6H11O#6CHO C5H8OZ#3 C6H11O#3CHO C5H9O#5OH C6H11O#6OH C4H7O#3OH C6H11O#3OH C4H7O#5OH C5H9O#3OH C5H9O#4OH C5H9O#6OH C6H11O#4OH C6H11O#5OH C2H3O#3CHO C3H5O#4CHO C4H7O#5CHO C2H4O#4CO C3H5O#3CHO C4H7O#4CHO C4H7O#3CHO C3H6O#3CO C4H8O#3CO C3H6O#5CO C4H8O#6CO C3H6O#4CO C4H8O#4CO C4H8O#5CO ! Cyclic secondary molecules : C6H10Z#6 C10H18Z#6 C7H12Z#6 C8H14Z#6 C8H14#6Z !ch(#1)(/ch3)/ch(/ch3)/ch2/ch2/ch2/ch2/1 RC8H15#6-1 RC8H15#6-2 C8H14Z#7 !ch(#1)(/ch3)/ch2/ch2/ch2/ch2/ch2/ch2/1 RC8H15#7-1 !ch(#1)(/ch3)/ch2/ch2/ch2/ch2/ch(.)/ch2/1 C9H16Z#6 C16H32O#3 C10H20O#3 C11H22O#3 C11H20Z#6 C7H11OZ#4COOOH C7H11O#4COOOHZ C7H11O#5COOOHZ C7H11O#6COOOHZ C7H11OZ#5COOOH C7H11OZ#6COOOH C7H13O#4COOOH C7H13O#5COOOH C7H13O#6COOOH C7H12O#4OHCOOOH C7H12O#5OHCOOOH C7H12O#6OHCOOOH ! Free radicals : R1H R2OH R3OOH R4CH3 R5CHO R6CH2OH R7CH3O R8CH3OO R9C2HT R10C2H3V R11C2H5 R12CHCOV R13CH2CHO R14CH3CO R15C2H5O R16C2H4OOH R17C2H5OO R18CH3COOO R19C3H7 R20C4H9 R21C7H13Z R22C6H11Z R23C5H9Z R24C4H7Z R25C3H5Y R26C5H11 R27C8H15X R28C6H13 R29C8H15Z R30C8H15Z R31C8H15Z R32C8H15Z R33C8H15Z R34C8H17 R35C8H17 R36C8H16OH R37C8H16OH R38C7H15 R39C9H19 R40C9H19 R41C3H7OO R42C4H9OO R43C7H13OOZ R44C7H13Z R45C7H13X R46C7H13V R47C7H13V R48C6H11OOZ R49C6H11X R50C6H11V R51C6H11V R52C5H9OOZ R53C5H9V R54C5H9V R55C4H7OOZ R56C4H7V R57C3H5OOZ R58C5H11OO R59C5H11 R60C8H15OOZ R61C8H15OOZ R62C6H13OO R63C6H13 R64C6H13 R65C8H15OOZ R66C8H15V R67C8H15OOZ R68C8H15V R69C8H15OOZ R70C8H15OOZ R71C8H15OOZ R72C8H17OO R73C8H17 R74C8H17 R75C8H17OO R76C8H16OHOO R76C8H16OOHO R77C8H16OH R78C8H16OH R79C8H16OH R80C8H16OH R81C8H16OHOO R81C8H16OOHO R82C8H16OH R83C8H16OH R84C8H16OH R85C8H16OH R86C7H15OO R87C7H15 R88C7H15 R89C7H15 R90C9H19OO R91C9H19 R92C9H19 R93C9H19 R94C9H19OO R95C9H19 R96C9H19 R97C9H19 R98C9H19 R99C3H6OOH R100C3H6OOH R101C4H8OOH R102C4H8OOH R103C4H8OOH R104C7H12OOHZ R105C7H12OOHZ R106C7H12OOHZ R107C7H12OOHX R108C7H13OOZ R109C7H13OOZ R110C7H13OOZ R111C7H13Z R112C7H13Z R113C6H10OOHZ R114C6H10OOHZ R115C6H10OOHX R116C6H10OOHV R117C6H11OOZ R118C6H11OOZ R119C6H11Z R120C6H11Z R121C5H8OOHZ R122C5H8OOHX R123C5H8OOHV R124C5H8OOHV R125C5H9Z R126C4H6OOHX R127C4H6OOHV R128C4H6OOHV R129C3H4OOHV R130C3H4OOHV R131C5H10OOH R132C5H10OOH R133C5H10OOH R134C5H10OOH R135C5H11OO R136C8H14OOHV R137C8H14OOHV R138C8H14OOHZ R139C8H14OOHZ R140C8H14OOHZ R141C8H14OOHZ R142C8H14OOHV R143C8H14OOHV R144C6H12OOH R145C6H12OOH R146C6H12OOH R147C6H12OOH R148C6H13OO R149C6H13OO R150C8H14OOHZ R151C8H14OOHZ R152C8H14OOHZ R153C8H14OOHZ R154C6H13CO R155C8H14OOHX R156C8H14OOHV R157C8H14OOHV R158C8H14OOHZ R159C8H14OOHZ R160C8H14OOHZ R161C8H14OOHZ R162C8H14OOHZ R163C8H14OOHZ R164C8H14OOHZ R165C8H14OOHZ R166C8H14OOHX R167C8H14OOHV R168C8H14OOHV R169C8H14OOHZ R170C8H14OOHZ R171C8H14OOHZ R172C8H14OOHZ R173C8H14OOHX R174C8H14OOHV R175C8H14OOHZ R176C8H14OOHZ R177C8H14OOHZ R178C8H14OOHZ R179C8H14OOHX R180C8H16OOH R181C8H16OOH R182C8H16OOH R183C8H16OOH R184C8H16OOH R185C8H17OO R186C8H17OO R187C8H16OOH R188C8H16OOH R189C8H16OOH R190C8H16OOH R191C8H15OHOOH R192C8H15OHOOH R193C8H15OHOOH R194C8H15OHOOH R195C8H15OHOOH R196C8H16OHOO R197C8H16OH R198C3H6OH R199C8H16OHOO R200C8H16OH R201C4H8OH R202C8H16OHOO R203C8H16OH R204C5H10OH R205C8H16OHOO R206C6H12OH R207C8H15OHOOH R208C8H15OHOOH R209C8H15OHOOH R210C8H15OHOOH R211C8H16OHOO R212C8H16OH R213C8H16OHOO R214C8H16OH R215C3H6OH R216C8H16OHOO R217C8H16OH R218C4H8OH R219C8H16OHOO R220C5H10OH R221C7H14OOH R222C7H14OOH R223C7H14OOH R224C7H14OOH R225C7H15OO R226C7H15OO R227C7H15OO R228C9H18OOH R229C9H18OOH R230C9H18OOH R231C9H18OOH R232C9H18OOH R233C9H18OOH R234C9H19OO R235C9H19OO R236C9H19 R237C9H19OO R238C9H18OOH R239C9H18OOH R240C9H18OOH R241C9H18OOH R242C9H18OOH R243C9H19OO R244C9H19 R245C3H7 R246C9H19OO R247C9H19 R248C4H9 R249C9H19OO R250C9H19 R251C5H11 R252C9H19OO R253C6H13 R254C3H6OOOOH R255C3H6OOOOH R256C4H8OOOOH R257C4H8OOOOH R258C4H8OOOOH R259C4H8OOH R260C7H12OOOOHZ R261C7H12OOHV R262C7H12OOHV R263C7H12OOOOHZ R264C7H12OOOOHZ R265C7H12OOHZ R266C7H12OOOOHZ R267C7H12OOOOHZ R268C7H12OOHX R269C7H12OOHV R270C7H12OOHV R271C7H12OOHZ R272C7H12OOHZ R273C7H12OOHZ R274C7H12OOHV R275C7H12OOHV R276C7H12OOHZ R277C7H12OOHZ R278C7H12OOHZ R279C7H12OOHZ R280C7H12OOHV R281C7H12OOHV R282C7H13OOZ R283C7H13OOZ R284C6H10OOOOHZ R285C6H10OOHV R286C6H10OOOOHZ R287C6H10OOOOHZ R288C6H10OOOOHZ R289C6H10OOHZ R290C6H10OOHV R291C6H10OOHV R292C6H10OOHZ R293C6H10OOHZ R294C6H10OOHZ R295C6H10OOHV R296C6H10OOHV R297C6H11OOZ R298C6H11OOZ R299C5H8OOOOHZ R300C5H8OOOOHZ R301C5H8OOOOHZ R302C5H8OOHZ R303C5H9OOZ R304C4H6OOOOHZ R305C4H6OOOOHZ R306C4H6OOHZ R307C5H10OOOOH R308C5H10OOOOH R309C5H10OOOOH R310C5H10OOH R311C5H10OOOOH R312C5H10OOH R313C5H10OOH R314C5H10OOH R315C5H10OOH R316C8H14OOHZ R317C6H12COOOH R318C6H12OOH R319C8H14OOOOHZ R320C8H14OOOOHZ R321C3H4OOHX R322C8H14OOOOHZ R323C8H14OOHX R324C4H6OOHZ R325C8H14OOOOHZ R326C5H8OOHZ R327C8H14OOHZ R328C8H14OOHZ R329C8H14OOHZ R330C8H14OOHZ R331CH2COOOH R332C6H12OOOOH R333C6H12OOH R334C6H12OOOOH R335C6H12OOOOH R336C6H12OOOOH R337C6H12OOH R338C6H12OOH R339C6H12OOH R340C6H12OOH R341C6H12OOH R342C6H12OOH R343C6H12OOH R344C6H12OOH R345C6H12OOH R346C6H12OOH R347C8H14OOOOHZ R348C8H14OOHX R349C8H14OOHV R350C8H14OOHV R351C8H14OOOOHZ R352C8H14OOOOHZ R353C8H14OOHZ R354C8H14OOOOHZ R355C6H13COOO R356C6H12CHO R357C6H12CHO R358C6H12CHO R359C6H12CHO R360C8H14OOOOHZ R361C8H14OOOOHZ R362C6H12COOOH R363C8H14OOHZ R364C8H14OOOOHZ R365C8H14OOOOHZ R366C8H14OOOOHZ R367C5H8OOHZ R368C8H14OOOOHZ R369C6H10OOHZ R370C8H14OOOOHZ R371C8H14OOOOHZ R372C8H14OOOOHZ R373C8H14OOHZ R374C6H10OOHZ R375C8H14OOOOHZ R376C8H14OOOOHZ R377C8H14OOOOHZ R378C6H12COOOH R379C8H14OOOOHZ R380C8H14OOHV R381C8H14OOOOHZ R382C8H14OOOOHZ R383C8H14OOOOHZ R384C3H6OOH R385C8H14OOOOHZ R386C8H14OOOOHZ R387C8H14OOHZ R388C4H8OOH R389C5H10OOH R390C6H12COOOH R391C8H14OOOOHZ R392C8H14OOHV R393C8H14OOOOHZ R394C8H14OOHV R395C8H14OOOOHZ R396C8H14OOOOHZ R397C8H14OOHZ R398C3H6OOH R399C8H14OOOOHZ R400C8H14OOOOHZ R401C4H8OOH R402C8H16OOOOH R403C8H16OOH R404C8H16OOOOH R405C8H16OOH R406C8H16OOOOH R407C8H16OOOOH R408C8H16OOH R409C8H16OOOOH R410C8H16OOH R411C8H16OOH R412C8H16OOH R413C8H16OOH R414C8H16OOH R415C8H16OOH R416C8H16OOH R417C8H16OOH R418C8H16OOH R419C8H16OOH R420C8H16OOH R421C8H16OOH R422C8H16OOH R423C8H16OOOOH R424C8H16OOH R425C8H16OOH R426C8H16OOH R427C8H16OOOOH R428C8H16OOOOH R429C8H16OOH R430C8H16OOOOH R431C8H15OHO4H R432C8H15OHOOH R433C8H15OHO4H R434C8H15OHOOH R435C8H15OHO4H R436C8H15OHO4H R437C8H15OHOOH R438C3H5OHOOH R439C8H15OHO4H R440C4H7OHOOH R441C8H15OHOOH R442C8H15OHOOH R443C8H15OHOOH R444C8H15OHOOH R445C8H15OHOOH R446C8H15OHOOH R447C8H15OHOOH R448C8H16OHOO R449C3H6OHOO R450C8H15OHOOH R451C8H15OHOOH R452C8H15OHOOH R453C8H15OHOOH R454C8H15OHOOH R455C8H15OHOOH R456C8H16OHOO R457C4H8OHOO R458C4H8OH R459C8H15OHOOH R460C8H15OHOOH R461C8H15OHOOH R462C8H15OHOOH R463C8H15OHOOH R464C8H16OHOO R465C5H10OHOO R466C5H10OH R467C5H10OH R468C8H15OHOOH R469C8H15OHOOH R470C8H15OHOOH R471C8H15OHOOH R472C6H12OHOO R473C6H12OH R474C6H12OH R475C6H12OH R476C8H15OHO4H R477C8H15OHOOH R478C8H15OHOOH R479C8H15OHOOH R480C8H15OHO4H R481C8H15OHO4H R482C8H15OHOOH R483C8H15OHO4H R484C3H5OHOOH R485C8H15OHOOH R486C8H15OHOOH R487C8H15OHOOH R488C8H15OHOOH R489C8H15OHOOH R490C8H15OHOOH R491C8H15OHOOH R492C8H16OHOO R493C6H12OH R494C8H15OHOOH R495C8H15OHOOH R496C8H15OHOOH R497C8H15OHOOH R498C8H15OHOOH R499C8H15OHOOH R500C8H15OHOOH R501C8H16OHOO R502C3H6OHOO R502C3H6OOHO R503C8H15OHOOH R504C8H15OHOOH R505C8H15OHOOH R506C8H15OHOOH R507C8H15OHOOH R508C8H15OHOOH R509C8H16OHOO R509C8H16OOHO R510C4H8OHOO R511C4H8OH R512C8H15OHOOH R513C8H15OHOOH R514C8H15OHOOH R515C8H15OHOOH R516C8H15OHOOH R517C5H10OHOO R518C5H10OH R519C5H10OH R520C7H14OOOOH R521C7H14OOH R522C7H14OOH R523C7H14OOOOH R524C7H14OOOOH R525C7H14OOH R526C7H14OOOOH R527C7H14OOH R528C7H14OOH R529C7H14OOH R530C7H14OOH R531C7H14OOH R532C7H14OOH R533C7H14OOH R534C7H14OOH R535C7H14OOH R536C7H14OOH R537C7H14OOH R538C7H14OOH R539C7H14OOH R540C7H14OOH R541C9H18OOOOH R542C9H18OOH R543C9H18OOOOH R544C9H18OOOOH R545C9H18OOH R546C9H18OOOOH R547C9H18OOOOH R548C9H18OOH R549C9H18OOOOH R550C9H18OOH R551C9H18OOH R552C9H18OOH R553C9H18OOH R554C9H18OOH R555C9H18OOH R556C9H18OOH R557C9H18OOH R558C9H18OOH R559C9H18OOH R560C9H18OOH R561C9H18OOH R562C9H19OO R563C9H18OOH R564C9H18OOH R565C9H18OOH R566C9H18OOH R567C9H18OOOOH R568C9H18OOH R569C9H18OOH R570C9H18OOH R571C9H18OOOOH R572C9H18OOOOH R573C9H18OOOOH R574C9H18OOH R575C9H18OOOOH R576C4H8OOH R577C9H18OOH R578C9H18OOH R579C9H18OOH R580C9H18OOH R581C9H18OOH R582C9H18OOH R583C9H18OOH R584C9H19OO R585C7H15 R586C3H7OO R587C9H18OOH R588C9H18OOH R589C9H18OOH R590C9H18OOH R591C9H18OOH R592C9H18OOH R593C9H18OOH R594C9H19OO R595C4H9OO R596C9H18OOH R597C9H18OOH R598C9H18OOH R599C9H18OOH R600C9H18OOH R601C9H18OOH R602C9H19OO R603C5H11OO R604C5H11 R605C9H18OOH R606C9H18OOH R607C9H18OOH R608C9H18OOH R609C9H18OOH R610C6H13OO R611C6H13 R612C6H13 R613C4H8OOOOH R614C7H12OOOOHZ R615C7H12OOOOHZ R616C7H12OOOOHZ R617C7H12OOHZ R618C7H12OOOOHZ R619C7H12OOOOHZ R620C7H12OOOOHZ R621C7H12OOOOHZ R622C7H12OOOOHZ R623C7H12OOOOHZ R624C7H12OOHX R625C7H12OOOOHZ R626C7H12OOHZ R627C7H12OOHZ R628C7H12OOHZ R629C7H12OOHZ R630C7H12OOHZ R631C7H12OOHZ R632C7H12OOHX R633C7H12OOHV R634C7H12OOHZ R635C7H12OOHZ R636C7H12OOHZ R637C7H12OOHX R638C7H12OOHV R639C7H12OOHV R640C6H10OOOOHZ R641C6H10OOOOHZ R642C6H10OOOOHZ R643C6H10OOOOHZ R644C6H10OOHX R645C6H10OOHZ R646C6H10OOHZ R647C6H10OOHZ R648C6H10OOHX R649C6H10OOHV R650C6H10OOHV R651C6H10OOHZ R652C6H10OOHX R653C6H10OOHV R654C6H10OOHV R655C5H8OOOOHZ R656C5H8OOHX R657C5H8OOHV R658C5H8OOHV R659C4H6OOOOHZ R660C5H10OOOOH R661C5H10OOOOH R662C5H10OOOOH R663C5H10OOOOH R664C5H10OOOOH R665C5H10OOH R666C8H14OOOOHZ R667C6H12CO5H R668C6H12CHOOO R669C6H11CHOOOH R670C6H11CHOOOH R671C6H11CHOOOH R672C6H11CHOOOH R673C6H12OOOOH R674C3H4OOOOHZ R675C3H4OOOOHZ R676C8H14OOOOHZ R677C8H14OOOOHZ R678C4H6OOOOHZ R679C4H7OOZ R680C4H6OOHV R681C5H8OOOOHZ R682C5H9OOZ R683C5H8OOHV R684C5H8OOHV R685C8H14OOOOHZ R686C8H14OOOOHZ R687C8H14OOOOHZ R688C8H14OOHX R689C5H8OOHZ R690C8H14OOOOHZ R691C6H12OOOOH R692C6H12OOOOH R693C6H12OOOOH R694C6H12OOOOH R695C6H12OOOOH R696C6H12OOOOH R697C6H12OOH R698C6H12OOOOH R699C6H12OOOOH R700C6H12OOOOH R701C6H12OOOOH R702C6H12OOH R703C6H12OOOOH R704C8H14OOOOHZ R705C8H14OOOOHZ R706C6H12COOOH R707C8H14OOOOHZ R708C6H12COOOH R709C6H12COOOH R710C6H12COOOH R711C6H12COOOH R712C6H12CHOOO R713C6H12CHOOO R714C6H12CHO R715C2H4CHO R716C6H12CHOOO R717C6H12CHO R718C3H6CHO R719C6H12CHOOO R720C4H8CHO R721C6H12CO5H R722C6H12CHOOO R723C6H11CHOOOH R724C6H11CHOOOH R725C6H11CHOOOH R726C6H11CHOOOH R727C8H14OOOOHZ R728C5H8OOOOHZ R729C6H10OOOOHZ R730C8H14OOOOHZ R731C6H10OOOOHZ R732C6H12CO5H R733C6H11CHOOOH R734C6H11CHOOOH R735C6H11CHOOOH R736C6H11CHOOOH R737C3H6OOOOH R738C8H14OOOOHZ R739C4H8OOOOH R740C4H9OO 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R807C8H15OHO4H R808C8H15OHO4H R809C8H15OHOOH R810C8H15OHO4H R811C8H15OHOOH R812C8H15OHOOH R813C8H15OHOOH R814C8H15OHOOH R815C8H15OHOOH R816C8H15OHOOH R817C4H7OHOOH R818C4H7OHOOH R819C4H7OHOOH R820C4H8OHOO R821C8H15OHO4H R822C8H15OHOOH R823C8H15OHO4H R824C8H15OHOOH R825C8H15OHO4H R826C8H15OHO4H R827C8H15OHOOH R828C8H15OHO4H R829C8H15OHOOH R830C8H15OHOOH R831C8H15OHOOH R832C8H15OHOOH R833C8H15OHOOH R834C8H15OHOOH R835C8H15OHOOH R836C5H9OHOOH R837C5H9OHOOH R838C5H9OHOOH R839C5H9OHOOH R840C5H10OHOO R840C5H10OOHO R841C5H10OHOO R842C5H10OH R843C8H15OHO4H R844C8H15OHOOH R845C8H15OHOOH R846C8H15OHOOH R847C8H15OHO4H R848C8H15OHO4H R849C8H15OHOOH R850C8H15OHO4H R851C6H11OHOOH R852C6H11OHOOH R853C6H11OHOOH R854C6H11OHOOH R855C6H12OHOO R856C6H12OHOO R856C6H12OOHO R857C6H12OH R858C6H12OHOO R859C6H12OH R860C8H15OHO4H R861C4H7OHOOH R862C8H15OHO4H R863C5H9OHOOH R864C8H15OHO4H R865C6H11OHOOH R866C8H15OHO4H R867C3H5OHOOOOH R868C8H15OHO4H R869C8H15OHO4H R870C8H15OHO4H R871C8H15OHOOH R872C8H15OHO4H R873C8H15OHO4H R874C4H7OHOOH R875C8H15OHO4H R876C5H9OHOOH R877C8H15OHO4H R878C6H11OHOOH R879C8H15OHOOH R880C8H15OHOOH R881C8H15OHOOH R882C8H15OHOOH R883C6H12OHOO R884C6H12OH R885C6H12OH R886C6H12OH R887C8H15OHO4H R888C8H15OHO4H R889C5H9OHOOH R890C8H15OHO4H R891C8H15OHOOH R892C6H11OHOOH R893C8H15OHO4H R894C8H15OHO4H R895C8H15OHO4H R896C8H15OHO4H R897C8H15OHOOH R898C8H15OHOOH R899C8H15OHOOH R900C8H15OHOOH R901C8H15OHOOH R902C3H5OHOOH R903C8H15OHO4H R904C8H15OHOOH R905C8H15OHO4H R906C6H11OHOOH R907C8H15OHO4H R908C8H15OHO4H R909C8H15OHO4H R910C8H15OHOOH R911C8H15OHO4H R912C8H15OHOOH R913C8H15OHOOH R914C8H15OHOOH R915C8H15OHOOH R916C8H15OHOOH R917C8H15OHOOH R918C4H7OHOOH R919C4H7OHOOH R920C4H7OHOOH R921C4H8OHOO R921C4H8OOHO R922C8H15OHO4H R923C8H15OHOOH R924C8H15OHO4H R925C8H15OHOOH R926C8H15OHO4H R927C8H15OHO4H R928C8H15OHOOH R929C8H15OHO4H R930C5H9OHOOH R931C5H9OHOOH R932C5H9OHOOH R933C5H9OHOOH R934C5H10OHOO R935C5H10OHOO R935C5H10OOHO R936C5H10OH R937C7H14OOOOH R938C7H14OOOOH R939C7H14OOOOH R940C7H14OOOOH R941C7H14OOOOH R942C7H14OOOOH R943C7H14OOH R944C7H14OOOOH R945C7H14OOOOH R946C7H14OOOOH R947C7H14OOOOH R948C7H14OOOOH R949C7H14OOH R950C7H14OOOOH R951C7H14OOOOH R952C7H14OOH R953C7H14OOOOH R954C7H14OOOOH R955C7H14OOOOH R956C7H14OOH R957C7H14OOOOH R958C9H18OOOOH R959C9H18OOOOH R960C9H18OOOOH R961C9H18OOOOH R962C9H18OOH R963C9H18OOOOH R964C9H18OOOOH R965C9H18OOH R966C9H18OOOOH R967C9H18OOOOH R968C9H18OOOOH R969C9H18OOOOH R970C9H18OOOOH R971C9H18OOH R972C9H18OOOOH R973C9H18OOH R974C9H18OOH R975C9H18OOOOH R976C9H18OOOOH R977C9H18OOH R978C9H18OOOOH R979C9H18OOH R980C9H18OOH R981C9H18OOH R982C9H18OOH R983C9H18OOOOH R984C9H18OOH R985C9H18OOH R986C9H18OOH R987C9H18OOOOH R988C9H18OOH R989C9H18OOOOH R990C9H18OOH R991C9H18OOOOH R992C9H18OOOOH R993C5H10OOH R994C9H18OOOOH R995C6H12OOH R996C9H18OOOOH R997C7H14OOH R998C9H18OOOOH R999C4H8OOOOH R1000C9H18OOOOH R1001C9H18OOOOH R1002C5H10OOH R1003C9H18OOOOH R1004C9H18OOH R1005C6H12OOH R1006C9H18OOOOH R1007C7H14OOH R1008C9H18OOOOH R1009C9H18OOOOH R1010C9H18OOOOH R1011C9H18OOH R1012C9H18OOH R1013C9H18OOH R1014C9H18OOH R1015C7H15OO R1016C7H15 R1017C7H15 R1018C7H15 R1019C9H18OOOOH R1020C9H18OOOOH R1021C6H12OOH R1022C9H18OOOOH R1023C9H18OOH R1024C7H14OOH R1025C9H18OOOOH R1026C9H18OOOOH R1027C9H18OOOOH R1028C9H18OOOOH R1029C9H18OOH R1030C9H18OOH R1031C9H18OOH R1032C9H18OOH R1033C9H18OOH R1034C4H8OOH R1035C9H18OOOOH R1036C9H18OOH R1037C9H18OOOOH R1038C7H14OOH R1039C9H18OOOOH R1040C9H18OOOOH R1041C9H18OOOOH R1042C9H18OOH R1043C9H18OOOOH R1044C9H18OOH R1045C9H18OOH R1046C9H18OOH R1047C9H18OOH R1048C9H18OOH R1049C9H18OOH R1050C5H10OOH R1051C5H10OOH R1052C5H10OOH R1053C5H11OO R1054C9H18OOOOH R1055C9H18OOH R1056C9H18OOOOH R1057C9H18OOH R1058C9H18OOOOH R1059C9H18OOOOH R1060C9H18OOH R1061C9H18OOOOH R1062C6H12OOH R1063C6H12OOH R1064C6H12OOH R1065C6H12OOH R1066C6H13OO R1067C6H13OO R1068C6H13 R1069C7H12OOOOHZ R1070C7H12OOOOHZ R1071C7H12OOOOHZ R1072C7H12OOOOHZ R1073C7H12OOOOHZ R1074C7H12OOOOHZ R1075C7H12OOHX 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R1707C9H18OOOOH R1708C9H18OOOOH R1709C7H14OOOOH R1710C7H14OOOOH R1711C7H14OOOOH R1712C7H14OOOOH R1713C7H14OOH R1714C7H14OOH R1715C7H14OOH R1716C7H14OOH R1717C7H14OOH R1718C7H14OOH R1719C7H14OOH R1720C7H14OOH R1721C7H14OOH R1722C7H14OOH R1723C7H14OOH R1724C7H14OOOOH R1725C7H14OOOOH R1726C7H14OOH R1727C7H14OOOOH R1728C9H18OOOOH R1729C9H18OOOOH R1730C3H6OOOOH R1731C4H8OOOOH R1732C4H9OO R1733C5H10OOOOH R1734C5H11OO R1735C5H10OOH R1736C7H14OOOOH R1737C9H18OOOOH R1738C4H8OOOOH R1739C9H18OOOOH R1740C5H10OOOOH R1741C5H11OO R1742C5H10OOH R1743C6H12OOOOH R1744C6H13OO R1745C6H12OOH R1746C6H12OOH R1747C5H10OOOOH R1748C5H10OOOOH R1749C6H12OOOOH R1750C6H12OOOOH R1751C6H12OOOOH R1752C6H12OOOOH R1753C6H12OOOOH R1754C6H12OOOOH R1755C7H12OOHV R1756C7H12OOHV R1757C7H13Z R1758C2H4COOOH R1759C2H4CHO R1760C3H5CHOOOH R1761C3H6CHO R1762C3H6COOOOOH R1763C4H7CHO5H R1764C4H7CHOOOH R1765C4H7CHOOOH R1766C4H8COOOOOH R1767C4H6OOHV R1768C4H6OOHV R1769C5H8OOHV R1770C5H9OOZ R1771C8H14OOHZ R1772C8H14OOHZ R1773C8H14OOHZ R1774C8H14OOHZ R1775C8H15V R1776C6H11CHO5H R1777C3H6COOOOOH R1778C4H8COOOOOH R1779C4H8COOOH R1780C2H4COOOH R1781C2H5CO R1782C2H3CHO5H R1783C2H4COOOOOH R1784C3H5CHO5H R1785C3H5CHO5H R1786C3H6COOOOOH R1787C3H6COOOH R1788C3H6COOOH R1789C4H7CHO5H R1790C4H7CHO5H R1791C4H7CHO5H R1792C4H8COOOOOH R1793C4H8COOOH R1794C4H8COOOH R1795C3H5CHOOOH R1796C3H6CHO R1797C3H6COOOOOH R1798C4H7CHOOOH R1799C4H8CHO R1800C4H7CHO5H R1801C4H8COOOOOH R1802C4H7CHOOOH R1803C4H7CHO5H R1804C4H8COOOOOH R1805C4H7CHOOOH R1806C6H11OHO4H R1807C6H11OHO4H R1808C6H11OHO4H R1809C3H5OHOOH R1810C3H6OH R1811C4H7OHOOH R1812C4H8OH R1813C4H7OHOOOOH R1814C5H9OHOOH R1815C5H10OH R1816C5H9OHOOOOH R1817C5H9OHOOOOH R1818C4H7OHOOOOH R1819C5H9OHOOOOH R1820C5H9OHOOOOH R1821C5H9OHOOH R1822C6H11OHO4H R1823C6H11OHO4H R1824C6H11OHO4H R1825C6H11OHOOH R1826C5H9OHOOOOH R1827C5H9OHOOOOH R1828C4H7OHOOH !.c(/oh)(/ch3)/ch(/o/oh)/ch3 R1829C4H7OHOOOOH !.o/o/ch2/ch(/oh)/ch(/o/oh)/ch3 R1830C4H7OHOOOOH !.o/o/c(/oh)(/ch3)/ch(/o/oh)/ch3 RC3H5V !ch(.)//ch/ch3 RC2H3CH2OZ !ch2//ch/ch2(/o(.)) allyloxy RC3H6CHOZ !ch2//ch/ch(/o(.))/ch3 RC3H5CH2OZ !ch2(/o(.))/ch//ch/ch3 RC4H8CHOZ !ch2//ch/ch(/o(.))/ch2/ch3 RC4H7CH2OZ !ch2(/o(.))/ch//ch/ch2/ch3 RC5H10CHOZ !ch2//ch/ch(/o(.))/ch2/ch2/ch3 RC5H9CH2OZ !ch2(/o(.))/ch//ch/ch2/ch2/ch3 RC6H12CHOZ !ch2//ch/ch(/o(.))/ch2/ch2/ch2/ch3 RC6H11CH2OZ !ch2(/o(.))/ch//ch/ch2/ch2/ch2/ch3 RC7H14CHOZ !ch2//ch/ch(/o(.))/ch2/ch2/ch2/ch2/ch3 RC7H13CH2OZ !ch2(/o(.))/ch//ch/ch2/ch2/ch2/ch2/ch3 R1831C5H10CHO !ch2(.)/ch2/ch2/ch2/ch2/ch//o R1832CH3COCH2 !ch2(.)/c(//o)/ch3 R1833CH2CH2COCH3 !ch2(.)/ch2/c(//o)/ch3 R1834C3H6COCH3 !ch2(.)/ch2/ch2/c(//o)/ch3 R1835C4H8COCH3 !ch2(.)/ch2/ch2/ch2/c(//o)/ch3 R1836C5H10COCH3 !ch2(.)/ch2/ch2/ch2/ch2/c(//o)/ch3 R1837C5H11COCH2 !ch3/ch2/ch2/ch2/ch2/c(//o)/ch2(.) R1838C2H5COCH2 !ch3/ch2/c(//o)/ch2(.) R1839C2H5COC2H4 !ch3/ch2/c(//o)/ch2/ch2(.) R1840C2H5COC3H6 !ch3/ch2/c(//o)/ch2/ch2/ch2(.) R1841C2H5COC4H8 !ch3/ch2/c(//o)/ch2/ch2/ch2/ch2(.) R1842C2H4COC4H9 !ch2(.)/ch2/c(//o)/ch2/ch2/ch2/ch3 R1843CH2COC4H9 !ch2(.)/c(//o)/ch2/ch2/ch2/ch3 R1844CH2COC3H7 !ch2(.)/c(//o)/ch2/ch2/ch3 R1845C2H4COC3H7 !ch2(.)/ch2/c(//o)/ch2/ch2/ch3 R1846C3H6COC3H7 !ch2(.)/ch2/ch2/c(//o)/ch2/ch2/ch3 RnC5H10CHO-1 !ch3/ch2/ch2/ch2/ch(.)/ch(//o) RnC5H10CHO-2 !ch3/ch2/ch2/ch(.)/ch2/ch(//o) RnC5H10CHO-3 !ch3/ch2/ch(.)/ch2/ch2/ch(//o) RnC5H10CHO-4 !ch3/ch(.)/ch2/ch2/ch2/ch(//o) RnC5H10CHO-5 !ch2(.)/ch2/ch2/ch2/ch2/ch(//o) RnC7H14CHO-1 !ch3/ch2/ch2/ch2/ch2/ch2/ch(.)/ch(//o) RnC7H14CHO-2 !ch3/ch2/ch2/ch2/ch2/ch(.)/ch2/ch(//o) RnC7H14CHO-3 !ch3/ch2/ch2/ch2/ch(.)/ch2/ch2/ch(//o) RnC7H14CHO-4 !ch3/ch2/ch2/ch(.)/ch2/ch2/ch2/ch(//o) RnC7H14CHO-5 !ch3/ch2/ch(.)/ch2/ch2/ch2/ch2/ch(//o) RnC7H14CHO-6 !ch3/ch(.)/ch2/ch2/ch2/ch2/ch2/ch(//o) RnC7H14CHO-7 !ch2(.)/ch2/ch2/ch2/ch2/ch2/ch2/ch(//o) !Cyclic free radicals: ! lumped Free radicals : RCOC2H3Z RC7H13Y RC6H11Y RCOC5H11 RCOC7H15 !c(.)(//o)/ch2/ch2/ch2/ch2/ch2/ch2/ch3 update therm with thergas RC9H17Y RCOC6H11Z RCOC5H9Z RCOC4H7Z RCOC3H5Z RCOC7H13Z !c(.)(//o)/ch//ch/ch2/ch2/ch2/ch2/ch3 update therm with thergas RCOC8H17 RCOC8H15Z !c(.)(//o)/ch//ch/ch2/ch2/ch2/ch2/ch2/ch3 update therm with thergas RCOC14H29 RC8H15Y RCOC9H19 RCOOOC2H3Z RCOOOC5H11 RCOOOC7H15 RCOOOC6H11Z RCOOOC5H9Z RCOOOC4H7Z RCOOOC3H5Z RCOOOC7H13Z RCOOOC8H17 RCOOOC8H15Z RCOOOC14H29 RCOOOC9H19 ! lumped Cyclic free radicals : .C8H13OZ#4 .C8H13O#4Z .C8H13O#5Z .C8H13O#6Z .C8H13OZ#5 .C8H13OZ#6 .C8H15O#4 .C8H15O#5 .C8H15O#6 .C8H14O#4OH .C8H14O#5OH .C8H14O#6OH .C8H13Z#6 .OOC8H13OZ#4 .OOC8H13O#4Z .OOC8H13O#5Z .OOC8H13O#6Z .OOC8H13OZ#5 .OOC8H13OZ#6 .OOC8H15O#4 .OOC8H15O#5 .OOC8H15O#6 .OOC8H14O#4OH .OOC8H14O#5OH .OOC8H14O#6OH .C8H12OZ#4OOH .C8H12O#4OOHZ .C8H12O#5OOHZ .C8H12O#6OOHZ .C8H12OZ#5OOH .C8H12OZ#6OOH .C8H14O#4OOH .C8H14O#5OOH .C8H14O#6OOH .C8H13O#4OHOOH .C8H13O#5OHOOH .C8H13O#6OHOOH .OOC8H12OZ#4OOH .OOC8H12O#4OOHZ .OOC8H12O#5OOHZ .OOC8H12O#6OOHZ .OOC8H12OZ#5OOH .OOC8H12OZ#6OOH .OOC8H14O#4OOH .OOC8H14O#5OOH .OOC8H14O#6OOH .OOC8H13O#4OHOOH .OOC8H13O#5OHOOH .OOC8H13O#6OHOOH .C6H11#6 dC6H9Z#6 N2 HE AR END REACTIONS ! ----------------- ! PRIMARY REACTIONS ! ----------------- ! molecular elimination : ! ene reaction : C8H16Z-1+C8H16Z-1=>C16H32Z 8.4E+0001 2.500 36700.0 ! MD 1 CN DUPLICATE C8H16Z-1+C8H16Z-1=>C16H32Z 1.1E+0003 2.100 36000.0 ! MD 2 CN DUPLICATE ! retro-ene reaction : C8H16Z-1=>C5H10Z+C3H6Y 8.0E+0012 0.000 56500.0 ! MD 3 CW ! unimolecular initiations : C8H16Z-1=>R21C7H13Z+R4CH3 5.6E+0016 0.000 86913.6 ! UI 4 KB C8H16Z-1=>R22C6H11Z+R11C2H5 2.9E+0016 0.000 85043.4 ! UI 5 KB C8H16Z-1=>R23C5H9Z+R19C3H7 3.4E+0016 0.000 87301.2 ! UI 6 KB C8H16Z-1=>R24C4H7Z+R20C4H9 4.1E+0016 0.000 86979.8 ! UI 7 KB C8H16Z-1=>R25C3H5Y+R26C5H11 8.2E+0015 0.000 73388.3 ! UI 8 KB C8H16Z-1=>R1H+R27C8H15X 1.8E+0014 0.000 83436.8 ! UI 9 KB C8H16Z-1=>R10C2H3V+R28C6H13 4.9E+0016 0.000 99964.9 ! UI 10 KB ! bimolecular initiations : C8H16Z-1+O2=R3OOH+R29C8H15Z 2.1E+0013 0.000 53334.3 ! BI 11 CN C8H16Z-1+O2=R3OOH+R27C8H15X 1.4E+0012 0.000 34926.9 ! BI 12 CN C8H16Z-1+O2=R3OOH+R30C8H15Z 1.4E+0013 0.000 51105.6 ! BI 13 CN C8H16Z-1+O2=R3OOH+R31C8H15Z 1.4E+0013 0.000 51105.6 ! BI 14 CN C8H16Z-1+O2=R3OOH+R32C8H15Z 1.4E+0013 0.000 51105.6 ! BI 15 CN C8H16Z-1+O2=R3OOH+R33C8H15Z 1.4E+0013 0.000 51041.2 ! BI 16 CN C8H16Z-1+C8H16Z-1=>R34C8H17+R27C8H15X 7.4E+0013 0.000 51300.0 ! BI 17 CN C8H16Z-1+C8H16Z-1=>R35C8H17+R27C8H15X 3.8E+0014 0.000 54200.0 ! BI 18 CN ! additions : R1H+C8H16Z-1=>R34C8H17 1.3E+0013 0.000 1560.0 ! AD 19 CN R1H+C8H16Z-1=>R35C8H17 1.3E+0013 0.000 3260.0 ! AD 20 CN !R2OH+C8H16Z-1=>R36C8H16OH 1.4E+0012 0.000 -1040.0 ! AD 21 CN !R2OH+C8H16Z-1=>R37C8H16OH 1.4E+0012 0.000 -1040.0 ! AD 22 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 !backward is commented R2OH+C8H16Z-1<=>R36C8H16OH 1.3E+0059 -14.17 23079.0 ! AD 21 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C8H16Z-1<=>R36C8H16OH 1.03E+0050 -12.04 11493.0 ! AD 21 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R2OH+C8H16Z-1<=>R37C8H16OH 1.3E+0059 -14.17 23079.0 ! AD 22 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C8H16Z-1<=>R37C8H16OH 1.03E+0050 -12.04 11493.0 ! AD 22 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R4CH3+C8H16Z-1=>R39C9H19 1.7E+0011 0.000 7400.0 ! AD 23 CN R4CH3+C8H16Z-1=>R40C9H19 9.6E+0010 0.000 8000.0 ! AD 24 CN !R2OH+C8H16Z-1=>C6H13CHO+R4CH3 1.4E+0012 0.000 -1040.0 ! AD 25 CN !R2OH+C8H16Z-1=>HCHO+R38C7H15 1.4E+0012 0.000 -1040.0 ! AD 26 CN !Bimolecular Vinyl alcohol + CH3 Ref:!Zador PCCP., 2009, 11, 11040–11053 R2OH+C8H16Z-1=>C6H13CHO+R4CH3 8.73E+0020 -2.350 11290.0 ! AD 25 CN PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE R2OH+C8H16Z-1=>C6H13CHO+R4CH3 1.13E+0004 2.500 3238.0 ! AD 25 CN PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE R2OH+C8H16Z-1=>HCHO+R38C7H15 8.73E+0020 -2.350 11290.0 ! AD 26 CN PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE R2OH+C8H16Z-1=>HCHO+R38C7H15 1.13E+0004 2.500 3238.0 ! AD 26 CN PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C8H16Z-1+R3OOH=>C8H16O#3+R2OH 1.0E+12 0.000 14200.0 ! AD 23 CN roda ! additions with oxygen: R19C3H7+O2=R41C3H7OO 9.0E+0018 -2.500 0.0 ! ADO 27 CN R20C4H9+O2=R42C4H9OO 9.0E+0018 -2.500 0.0 ! ADO 28 CN R21C7H13Z+O2=R43C7H13OOZ 9.0E+0018 -2.500 0.0 ! ADO 29 CN R22C6H11Z+O2=R48C6H11OOZ 9.0E+0018 -2.500 0.0 ! ADO 30 CN R23C5H9Z+O2=R52C5H9OOZ 9.0E+0018 -2.500 0.0 ! ADO 31 CN R24C4H7Z+O2=R55C4H7OOZ 9.0E+0018 -2.500 0.0 ! ADO 32 CN R25C3H5Y+O2=R57C3H5OOZ 1.2E+0010 0.000 -2300.0 ! ADO 33 CN R26C5H11+O2=R58C5H11OO 9.0E+0018 -2.500 0.0 ! ADO 34 CN R27C8H15X+O2=R60C8H15OOZ 1.2E+0010 0.000 -2300.0 ! ADO 35 CN R27C8H15X+O2=R61C8H15OOZ 1.2E+0010 0.000 -2300.0 ! ADO 36 CN R28C6H13+O2=R62C6H13OO 9.0E+0018 -2.500 0.0 ! ADO 37 CN R29C8H15Z+O2=R65C8H15OOZ 9.0E+0018 -2.500 0.0 ! ADO 38 CN R30C8H15Z+O2=R67C8H15OOZ 1.8E+0019 -2.500 0.0 ! ADO 39 CN R31C8H15Z+O2=R69C8H15OOZ 1.8E+0019 -2.500 0.0 ! ADO 40 CN R32C8H15Z+O2=R70C8H15OOZ 1.8E+0019 -2.500 0.0 ! ADO 41 CN R33C8H15Z+O2=R71C8H15OOZ 1.7E+0019 -2.500 0.0 ! ADO 42 CN R34C8H17+O2=R72C8H17OO 1.7E+0019 -2.500 0.0 ! ADO 43 CN R35C8H17+O2=R75C8H17OO 9.0E+0018 -2.500 0.0 ! ADO 44 CN R36C8H16OH+O2=R76C8H16OHOO 1.8E+0019 -2.500 0.0 ! ADO 45 CN R37C8H16OH+O2=R81C8H16OHOO 1.5E+0018 -2.500 0.0 ! ADO 46 CN R38C7H15+O2=R86C7H15OO 9.0E+0018 -2.500 0.0 ! ADO 47 CN R39C9H19+O2=R90C9H19OO 1.8E+0019 -2.500 0.0 ! ADO 48 CN R40C9H19+O2=R94C9H19OO 1.5E+0018 -2.500 0.0 ! ADO 49 CN R44C7H13Z+O2=R108C7H13OOZ 1.8E+0019 -2.500 0.0 ! ADO 50 CN R45C7H13X+O2=R109C7H13OOZ 1.2E+0010 0.000 -2300.0 ! ADO 51 CN R45C7H13X+O2=R110C7H13OOZ 1.2E+0010 0.000 -2300.0 ! ADO 52 CN R49C6H11X+O2=R117C6H11OOZ 1.2E+0010 0.000 -2300.0 ! ADO 53 CN R49C6H11X+O2=R118C6H11OOZ 1.2E+0010 0.000 -2300.0 ! ADO 54 CN R59C5H11+O2=R135C5H11OO 1.7E+0019 -2.500 0.0 ! ADO 55 CN R63C6H13+O2=R148C6H13OO 1.8E+0019 -2.500 0.0 ! ADO 56 CN R64C6H13+O2=R149C6H13OO 1.7E+0019 -2.500 0.0 ! ADO 57 CN R73C8H17+O2=R185C8H17OO 1.8E+0019 -2.500 0.0 ! ADO 58 CN R74C8H17+O2=R186C8H17OO 1.8E+0019 -2.500 0.0 ! ADO 59 CN R77C8H16OH+O2=R196C8H16OHOO 1.8E+0019 -2.500 0.0 ! ADO 60 CN R78C8H16OH+O2=R199C8H16OHOO 1.8E+0019 -2.500 0.0 ! ADO 61 CN R79C8H16OH+O2=R202C8H16OHOO 1.7E+0019 -2.500 0.0 ! ADO 62 CN R80C8H16OH+O2=R205C8H16OHOO 9.0E+0018 -2.500 0.0 ! ADO 63 CN R82C8H16OH+O2=R211C8H16OHOO 1.8E+0019 -2.500 0.0 ! ADO 64 CN R83C8H16OH+O2=R213C8H16OHOO 1.8E+0019 -2.500 0.0 ! ADO 65 CN R84C8H16OH+O2=R216C8H16OHOO 1.8E+0019 -2.500 0.0 ! ADO 66 CN R85C8H16OH+O2=R219C8H16OHOO 1.7E+0019 -2.500 0.0 ! ADO 67 CN R87C7H15+O2=R225C7H15OO 1.8E+0019 -2.500 0.0 ! ADO 68 CN R88C7H15+O2=R226C7H15OO 1.8E+0019 -2.500 0.0 ! ADO 69 CN R89C7H15+O2=R227C7H15OO 1.7E+0019 -2.500 0.0 ! ADO 70 CN R91C9H19+O2=R234C9H19OO 1.8E+0019 -2.500 0.0 ! ADO 71 CN R92C9H19+O2=R235C9H19OO 1.7E+0019 -2.500 0.0 ! ADO 72 CN R93C9H19+O2=R237C9H19OO 9.0E+0018 -2.500 0.0 ! ADO 73 CN R95C9H19+O2=R243C9H19OO 1.8E+0019 -2.500 0.0 ! ADO 74 CN R96C9H19+O2=R246C9H19OO 1.8E+0019 -2.500 0.0 ! ADO 75 CN R97C9H19+O2=R249C9H19OO 1.8E+0019 -2.500 0.0 ! ADO 76 CN R98C9H19+O2=R252C9H19OO 1.7E+0019 -2.500 0.0 ! ADO 77 CN R99C3H6OOH+O2=R254C3H6OOOOH 1.7E+0019 -2.500 0.0 ! ADO 78 CN R100C3H6OOH+O2=R255C3H6OOOOH 9.0E+0018 -2.500 0.0 ! ADO 79 CN R101C4H8OOH+O2=R256C4H8OOOOH 1.8E+0019 -2.500 0.0 ! ADO 80 CN R102C4H8OOH+O2=R257C4H8OOOOH 1.7E+0019 -2.500 0.0 ! ADO 81 CN R103C4H8OOH+O2=R258C4H8OOOOH 9.0E+0018 -2.500 0.0 ! ADO 82 CN R104C7H12OOHZ+O2=R260C7H12OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 83 CN R105C7H12OOHZ+O2=R263C7H12OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 84 CN R106C7H12OOHZ+O2=R264C7H12OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 85 CN R107C7H12OOHX+O2=R266C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 86 CN R107C7H12OOHX+O2=R267C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 87 CN R111C7H13Z+O2=R282C7H13OOZ 1.7E+0019 -2.500 0.0 ! ADO 88 CN R112C7H13Z+O2=R283C7H13OOZ 1.8E+0019 -2.500 0.0 ! ADO 89 CN R113C6H10OOHZ+O2=R284C6H10OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 90 CN R114C6H10OOHZ+O2=R286C6H10OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 91 CN R115C6H10OOHX+O2=R287C6H10OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 92 CN R115C6H10OOHX+O2=R288C6H10OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 93 CN R119C6H11Z+O2=R297C6H11OOZ 1.7E+0019 -2.500 0.0 ! ADO 94 CN R120C6H11Z+O2=R298C6H11OOZ 1.8E+0019 -2.500 0.0 ! ADO 95 CN R121C5H8OOHZ+O2=R299C5H8OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 96 CN R122C5H8OOHX+O2=R300C5H8OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 97 CN R122C5H8OOHX+O2=R301C5H8OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 98 CN R125C5H9Z+O2=R303C5H9OOZ 1.7E+0019 -2.500 0.0 ! ADO 99 CN R126C4H6OOHX+O2=R304C4H6OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 100 CN R126C4H6OOHX+O2=R305C4H6OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 101 CN R131C5H10OOH+O2=R307C5H10OOOOH 1.8E+0019 -2.500 0.0 ! ADO 102 CN R132C5H10OOH+O2=R308C5H10OOOOH 1.8E+0019 -2.500 0.0 ! ADO 103 CN R133C5H10OOH+O2=R309C5H10OOOOH 1.7E+0019 -2.500 0.0 ! ADO 104 CN R134C5H10OOH+O2=R311C5H10OOOOH 9.0E+0018 -2.500 0.0 ! ADO 105 CN R138C8H14OOHZ+O2=R319C8H14OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 106 CN R139C8H14OOHZ+O2=R320C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 107 CN R140C8H14OOHZ+O2=R322C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 108 CN R141C8H14OOHZ+O2=R325C8H14OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 109 CN R144C6H12OOH+O2=R332C6H12OOOOH 1.8E+0019 -2.500 0.0 ! ADO 110 CN R145C6H12OOH+O2=R334C6H12OOOOH 1.8E+0019 -2.500 0.0 ! ADO 111 CN R146C6H12OOH+O2=R335C6H12OOOOH 1.8E+0019 -2.500 0.0 ! ADO 112 CN R147C6H12OOH+O2=R336C6H12OOOOH 1.7E+0019 -2.500 0.0 ! ADO 113 CN R150C8H14OOHZ+O2=R347C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 114 CN R151C8H14OOHZ+O2=R351C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 115 CN R152C8H14OOHZ+O2=R352C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 116 CN R153C8H14OOHZ+O2=R354C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 117 CN R154C6H13CO+O2=R355C6H13COOO 1.0E+0019 -2.500 0.0 ! ADO 118 CN R155C8H14OOHX+O2=R360C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 119 CN R155C8H14OOHX+O2=R361C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 120 CN R158C8H14OOHZ+O2=R364C8H14OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 121 CN R159C8H14OOHZ+O2=R365C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 122 CN R160C8H14OOHZ+O2=R366C8H14OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 123 CN R161C8H14OOHZ+O2=R368C8H14OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 124 CN R162C8H14OOHZ+O2=R370C8H14OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 125 CN R163C8H14OOHZ+O2=R371C8H14OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 126 CN R164C8H14OOHZ+O2=R372C8H14OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 127 CN R165C8H14OOHZ+O2=R375C8H14OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 128 CN R166C8H14OOHX+O2=R376C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 129 CN R166C8H14OOHX+O2=R377C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 130 CN R169C8H14OOHZ+O2=R379C8H14OOOOHZ 9.5E+0018 -2.500 0.0 ! ADO 131 CN R170C8H14OOHZ+O2=R381C8H14OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 132 CN R171C8H14OOHZ+O2=R382C8H14OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 133 CN R172C8H14OOHZ+O2=R383C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 134 CN R173C8H14OOHX+O2=R385C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 135 CN R173C8H14OOHX+O2=R386C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 136 CN R175C8H14OOHZ+O2=R391C8H14OOOOHZ 1.5E+0018 -2.500 0.0 ! ADO 137 CN R176C8H14OOHZ+O2=R393C8H14OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 138 CN R177C8H14OOHZ+O2=R395C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 139 CN R178C8H14OOHZ+O2=R396C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 140 CN R179C8H14OOHX+O2=R399C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 141 CN R179C8H14OOHX+O2=R400C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 142 CN R180C8H16OOH+O2=R402C8H16OOOOH 1.5E+0018 -2.500 0.0 ! ADO 143 CN R181C8H16OOH+O2=R404C8H16OOOOH 1.0E+0019 -2.500 0.0 ! ADO 144 CN R182C8H16OOH+O2=R406C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 145 CN R183C8H16OOH+O2=R407C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 146 CN R184C8H16OOH+O2=R409C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 147 CN R187C8H16OOH+O2=R423C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 148 CN R188C8H16OOH+O2=R427C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 149 CN R189C8H16OOH+O2=R428C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 150 CN R190C8H16OOH+O2=R430C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 151 CN R191C8H15OHOOH+O2=R431C8H15OHO4H 3.0E+0018 -2.500 0.0 ! ADO 152 CN R192C8H15OHOOH+O2=R433C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 153 CN R193C8H15OHOOH+O2=R435C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 154 CN R194C8H15OHOOH+O2=R436C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 155 CN R195C8H15OHOOH+O2=R439C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 156 CN R197C8H16OH+O2=R448C8H16OHOO 1.0E+0019 -2.500 0.0 ! ADO 157 CN R198C3H6OH+O2=R449C3H6OHOO 9.0E+0018 -2.500 0.0 ! ADO 158 CN R200C8H16OH+O2=R456C8H16OHOO 1.8E+0019 -2.500 0.0 ! ADO 159 CN R201C4H8OH+O2=R457C4H8OHOO 9.0E+0018 -2.500 0.0 ! ADO 160 CN R203C8H16OH+O2=R464C8H16OHOO 1.8E+0019 -2.500 0.0 ! ADO 161 CN R204C5H10OH+O2=R465C5H10OHOO 9.0E+0018 -2.500 0.0 ! ADO 162 CN R206C6H12OH+O2=R472C6H12OHOO 9.0E+0018 -2.500 0.0 ! ADO 163 CN R207C8H15OHOOH+O2=R476C8H15OHO4H 2.0E+0019 -2.500 0.0 ! ADO 164 CN R208C8H15OHOOH+O2=R480C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 165 CN R209C8H15OHOOH+O2=R481C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 166 CN R210C8H15OHOOH+O2=R483C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 167 CN R212C8H16OH+O2=R492C8H16OHOO 9.0E+0018 -2.500 0.0 ! ADO 168 CN R214C8H16OH+O2=R501C8H16OHOO 1.9E+0019 -2.500 0.0 ! ADO 169 CN R215C3H6OH+O2=R502C3H6OHOO 1.5E+0018 -2.500 0.0 ! ADO 170 CN R217C8H16OH+O2=R509C8H16OHOO 1.0E+0019 -2.500 0.0 ! ADO 171 CN R218C4H8OH+O2=R510C4H8OHOO 9.0E+0018 -2.500 0.0 ! ADO 172 CN R220C5H10OH+O2=R517C5H10OHOO 9.0E+0018 -2.500 0.0 ! ADO 173 CN R221C7H14OOH+O2=R520C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 174 CN R222C7H14OOH+O2=R523C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 175 CN R223C7H14OOH+O2=R524C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 176 CN R224C7H14OOH+O2=R526C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 177 CN R228C9H18OOH+O2=R541C9H18OOOOH 9.5E+0018 -2.500 0.0 ! ADO 178 CN R229C9H18OOH+O2=R543C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 179 CN R230C9H18OOH+O2=R544C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 180 CN R231C9H18OOH+O2=R546C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 181 CN R232C9H18OOH+O2=R547C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 182 CN R233C9H18OOH+O2=R549C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 183 CN R236C9H19+O2=R562C9H19OO 1.8E+0019 -2.500 0.0 ! ADO 184 CN R238C9H18OOH+O2=R567C9H18OOOOH 2.6E+0019 -2.500 0.0 ! ADO 185 CN R239C9H18OOH+O2=R571C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 186 CN R240C9H18OOH+O2=R572C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 187 CN R241C9H18OOH+O2=R573C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 188 CN R242C9H18OOH+O2=R575C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 189 CN R244C9H19+O2=R584C9H19OO 9.0E+0018 -2.500 0.0 ! ADO 190 CN R245C3H7+O2=R586C3H7OO 1.6E+0019 -2.500 0.0 ! ADO 191 CN R247C9H19+O2=R594C9H19OO 2.5E+0019 -2.500 0.0 ! ADO 192 CN R248C4H9+O2=R595C4H9OO 1.5E+0018 -2.500 0.0 ! ADO 193 CN R250C9H19+O2=R602C9H19OO 1.0E+0019 -2.500 0.0 ! ADO 194 CN R251C5H11+O2=R603C5H11OO 9.0E+0018 -2.500 0.0 ! ADO 195 CN R253C6H13+O2=R610C6H13OO 9.0E+0018 -2.500 0.0 ! ADO 196 CN R259C4H8OOH+O2=R613C4H8OOOOH 1.0E+0019 -2.500 0.0 ! ADO 197 CN R265C7H12OOHZ+O2=R614C7H12OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 198 CN R268C7H12OOHX+O2=R615C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 199 CN R268C7H12OOHX+O2=R616C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 200 CN R271C7H12OOHZ+O2=R618C7H12OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 201 CN R272C7H12OOHZ+O2=R619C7H12OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 202 CN R273C7H12OOHZ+O2=R620C7H12OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 203 CN R276C7H12OOHZ+O2=R621C7H12OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 204 CN R277C7H12OOHZ+O2=R622C7H12OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 205 CN R278C7H12OOHZ+O2=R623C7H12OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 206 CN R279C7H12OOHZ+O2=R625C7H12OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 207 CN R289C6H10OOHZ+O2=R640C6H10OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 208 CN R292C6H10OOHZ+O2=R641C6H10OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 209 CN R293C6H10OOHZ+O2=R642C6H10OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 210 CN R294C6H10OOHZ+O2=R643C6H10OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 211 CN R302C5H8OOHZ+O2=R655C5H8OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 212 CN R306C4H6OOHZ+O2=R659C4H6OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 213 CN R310C5H10OOH+O2=R660C5H10OOOOH 1.0E+0019 -2.500 0.0 ! ADO 214 CN R312C5H10OOH+O2=R661C5H10OOOOH 1.5E+0018 -2.500 0.0 ! ADO 215 CN R313C5H10OOH+O2=R662C5H10OOOOH 1.0E+0019 -2.500 0.0 ! ADO 216 CN R314C5H10OOH+O2=R663C5H10OOOOH 1.7E+0019 -2.500 0.0 ! ADO 217 CN R315C5H10OOH+O2=R664C5H10OOOOH 9.0E+0018 -2.500 0.0 ! ADO 218 CN R316C8H14OOHZ+O2=R666C8H14OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 219 CN R317C6H12COOOH+O2=R667C6H12CO5H 2.5E+0018 -2.500 0.0 ! ADO 220 CN R318C6H12OOH+O2=R673C6H12OOOOH 1.0E+0019 -2.500 0.0 ! ADO 221 CN R321C3H4OOHX+O2=R674C3H4OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 222 CN R321C3H4OOHX+O2=R675C3H4OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 223 CN R323C8H14OOHX+O2=R676C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 224 CN R323C8H14OOHX+O2=R677C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 225 CN R324C4H6OOHZ+O2=R678C4H6OOOOHZ 1.5E+0018 -2.500 0.0 ! ADO 226 CN R326C5H8OOHZ+O2=R681C5H8OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 227 CN R327C8H14OOHZ+O2=R685C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 228 CN R328C8H14OOHZ+O2=R686C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 229 CN R329C8H14OOHZ+O2=R687C8H14OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 230 CN R330C8H14OOHZ+O2=R690C8H14OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 231 CN R333C6H12OOH+O2=R691C6H12OOOOH 9.0E+0018 -2.500 0.0 ! ADO 232 CN R337C6H12OOH+O2=R692C6H12OOOOH 9.5E+0018 -2.500 0.0 ! ADO 233 CN R338C6H12OOH+O2=R693C6H12OOOOH 9.0E+0018 -2.500 0.0 ! ADO 234 CN R339C6H12OOH+O2=R694C6H12OOOOH 1.0E+0019 -2.500 0.0 ! ADO 235 CN R340C6H12OOH+O2=R695C6H12OOOOH 1.7E+0019 -2.500 0.0 ! ADO 236 CN R341C6H12OOH+O2=R696C6H12OOOOH 9.0E+0018 -2.500 0.0 ! ADO 237 CN R342C6H12OOH+O2=R698C6H12OOOOH 1.5E+0018 -2.500 0.0 ! ADO 238 CN R343C6H12OOH+O2=R699C6H12OOOOH 1.0E+0019 -2.500 0.0 ! ADO 239 CN R344C6H12OOH+O2=R700C6H12OOOOH 1.8E+0019 -2.500 0.0 ! ADO 240 CN R345C6H12OOH+O2=R701C6H12OOOOH 1.7E+0019 -2.500 0.0 ! ADO 241 CN R346C6H12OOH+O2=R703C6H12OOOOH 9.0E+0018 -2.500 0.0 ! ADO 242 CN R348C8H14OOHX+O2=R704C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 243 CN R348C8H14OOHX+O2=R705C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 244 CN R353C8H14OOHZ+O2=R707C8H14OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 245 CN R356C6H12CHO+O2=R712C6H12CHOOO 1.8E+0019 -2.500 0.0 ! ADO 246 CN R357C6H12CHO+O2=R713C6H12CHOOO 1.8E+0019 -2.500 0.0 ! ADO 247 CN R358C6H12CHO+O2=R716C6H12CHOOO 1.7E+0019 -2.500 0.0 ! ADO 248 CN R359C6H12CHO+O2=R719C6H12CHOOO 9.0E+0018 -2.500 0.0 ! ADO 249 CN R362C6H12COOOH+O2=R721C6H12CO5H 1.0E+0019 -2.500 0.0 ! ADO 250 CN R363C8H14OOHZ+O2=R727C8H14OOOOHZ 1.9E+0019 -2.500 0.0 ! ADO 251 CN R367C5H8OOHZ+O2=R728C5H8OOOOHZ 1.5E+0018 -2.500 0.0 ! ADO 252 CN R369C6H10OOHZ+O2=R729C6H10OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 253 CN R373C8H14OOHZ+O2=R730C8H14OOOOHZ 1.9E+0019 -2.500 0.0 ! ADO 254 CN R374C6H10OOHZ+O2=R731C6H10OOOOHZ 1.5E+0018 -2.500 0.0 ! ADO 255 CN R378C6H12COOOH+O2=R732C6H12CO5H 1.0E+0019 -2.500 0.0 ! ADO 256 CN R384C3H6OOH+O2=R737C3H6OOOOH 1.0E+0019 -2.500 0.0 ! ADO 257 CN R387C8H14OOHZ+O2=R738C8H14OOOOHZ 1.9E+0019 -2.500 0.0 ! ADO 258 CN R388C4H8OOH+O2=R739C4H8OOOOH 1.5E+0018 -2.500 0.0 ! ADO 259 CN R389C5H10OOH+O2=R741C5H10OOOOH 9.0E+0018 -2.500 0.0 ! ADO 260 CN R390C6H12COOOH+O2=R744C6H12CO5H 1.0E+0019 -2.500 0.0 ! ADO 261 CN R397C8H14OOHZ+O2=R750C8H14OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 262 CN R398C3H6OOH+O2=R751C3H6OOOOH 1.5E+0018 -2.500 0.0 ! ADO 263 CN R401C4H8OOH+O2=R752C4H8OOOOH 9.0E+0018 -2.500 0.0 ! ADO 264 CN R403C8H16OOH+O2=R753C8H16OOOOH 1.7E+0019 -2.500 0.0 ! ADO 265 CN R405C8H16OOH+O2=R754C8H16OOOOH 9.0E+0018 -2.500 0.0 ! ADO 266 CN R408C8H16OOH+O2=R755C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 267 CN R410C8H16OOH+O2=R756C8H16OOOOH 1.0E+0019 -2.500 0.0 ! ADO 268 CN R411C8H16OOH+O2=R757C8H16OOOOH 1.7E+0019 -2.500 0.0 ! ADO 269 CN R412C8H16OOH+O2=R758C8H16OOOOH 9.0E+0018 -2.500 0.0 ! ADO 270 CN R413C8H16OOH+O2=R760C8H16OOOOH 1.0E+0019 -2.500 0.0 ! ADO 271 CN R414C8H16OOH+O2=R761C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 272 CN R415C8H16OOH+O2=R762C8H16OOOOH 1.7E+0019 -2.500 0.0 ! ADO 273 CN R416C8H16OOH+O2=R763C8H16OOOOH 9.0E+0018 -2.500 0.0 ! ADO 274 CN R417C8H16OOH+O2=R764C8H16OOOOH 9.5E+0018 -2.500 0.0 ! ADO 275 CN R418C8H16OOH+O2=R766C8H16OOOOH 9.0E+0018 -2.500 0.0 ! ADO 276 CN R419C8H16OOH+O2=R767C8H16OOOOH 1.0E+0019 -2.500 0.0 ! ADO 277 CN R420C8H16OOH+O2=R768C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 278 CN R421C8H16OOH+O2=R769C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 279 CN R422C8H16OOH+O2=R771C8H16OOOOH 1.7E+0019 -2.500 0.0 ! ADO 280 CN R424C8H16OOH+O2=R772C8H16OOOOH 1.8E+0019 -2.500 0.0 ! ADO 281 CN R425C8H16OOH+O2=R773C8H16OOOOH 1.7E+0019 -2.500 0.0 ! ADO 282 CN R426C8H16OOH+O2=R774C8H16OOOOH 9.0E+0018 -2.500 0.0 ! ADO 283 CN R429C8H16OOH+O2=R775C8H16OOOOH 1.0E+0019 -2.500 0.0 ! ADO 284 CN R432C8H15OHOOH+O2=R776C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 285 CN R434C8H15OHOOH+O2=R778C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 286 CN R437C8H15OHOOH+O2=R780C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 287 CN R438C3H5OHOOH+O2=R781C3H5OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 288 CN R440C4H7OHOOH+O2=R783C4H7OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 289 CN R441C8H15OHOOH+O2=R786C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 290 CN R442C8H15OHOOH+O2=R787C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 291 CN R443C8H15OHOOH+O2=R789C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 292 CN R444C8H15OHOOH+O2=R792C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 293 CN R445C8H15OHOOH+O2=R793C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 294 CN R446C8H15OHOOH+O2=R794C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 295 CN R447C8H15OHOOH+O2=R795C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 296 CN R450C8H15OHOOH+O2=R802C8H15OHO4H 9.5E+0018 -2.500 0.0 ! ADO 297 CN R451C8H15OHOOH+O2=R804C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 298 CN R452C8H15OHOOH+O2=R806C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 299 CN R453C8H15OHOOH+O2=R807C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 300 CN R454C8H15OHOOH+O2=R808C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 301 CN R455C8H15OHOOH+O2=R810C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 302 CN R458C4H8OH+O2=R820C4H8OHOO 1.0E+0019 -2.500 0.0 ! ADO 303 CN R459C8H15OHOOH+O2=R821C8H15OHO4H 1.5E+0018 -2.500 0.0 ! ADO 304 CN R460C8H15OHOOH+O2=R823C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 305 CN R461C8H15OHOOH+O2=R825C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 306 CN R462C8H15OHOOH+O2=R826C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 307 CN R463C8H15OHOOH+O2=R828C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 308 CN R466C5H10OH+O2=R840C5H10OHOO 1.8E+0019 -2.500 0.0 ! ADO 309 CN R467C5H10OH+O2=R841C5H10OHOO 1.0E+0019 -2.500 0.0 ! ADO 310 CN R468C8H15OHOOH+O2=R843C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 311 CN R469C8H15OHOOH+O2=R847C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 312 CN R470C8H15OHOOH+O2=R848C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 313 CN R471C8H15OHOOH+O2=R850C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 314 CN R473C6H12OH+O2=R855C6H12OHOO 1.8E+0019 -2.500 0.0 ! ADO 315 CN R474C6H12OH+O2=R856C6H12OHOO 1.8E+0019 -2.500 0.0 ! ADO 316 CN R475C6H12OH+O2=R858C6H12OHOO 1.0E+0019 -2.500 0.0 ! ADO 317 CN R477C8H15OHOOH+O2=R860C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 318 CN R478C8H15OHOOH+O2=R862C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 319 CN R479C8H15OHOOH+O2=R864C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 320 CN R482C8H15OHOOH+O2=R866C8H15OHO4H 2.5E+0018 -2.500 0.0 ! ADO 321 CN R484C3H5OHOOH+O2=R867C3H5OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 322 CN R485C8H15OHOOH+O2=R868C8H15OHO4H 3.0E+0018 -2.500 0.0 ! ADO 323 CN R486C8H15OHOOH+O2=R869C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 324 CN R487C8H15OHOOH+O2=R870C8H15OHO4H 1.5E+0018 -2.500 0.0 ! ADO 325 CN R488C8H15OHOOH+O2=R872C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 326 CN R489C8H15OHOOH+O2=R873C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 327 CN R490C8H15OHOOH+O2=R875C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 328 CN R491C8H15OHOOH+O2=R877C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 329 CN R493C6H12OH+O2=R883C6H12OHOO 9.0E+0018 -2.500 0.0 ! ADO 330 CN R494C8H15OHOOH+O2=R887C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 331 CN R495C8H15OHOOH+O2=R888C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 332 CN R496C8H15OHOOH+O2=R890C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 333 CN R497C8H15OHOOH+O2=R893C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 334 CN R498C8H15OHOOH+O2=R894C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 335 CN R499C8H15OHOOH+O2=R895C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 336 CN R500C8H15OHOOH+O2=R896C8H15OHO4H 1.5E+0018 -2.500 0.0 ! ADO 337 CN R503C8H15OHOOH+O2=R903C8H15OHO4H 9.5E+0018 -2.500 0.0 ! ADO 338 CN R504C8H15OHOOH+O2=R905C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 339 CN R505C8H15OHOOH+O2=R907C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 340 CN R506C8H15OHOOH+O2=R908C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 341 CN R507C8H15OHOOH+O2=R909C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 342 CN R508C8H15OHOOH+O2=R911C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 343 CN R511C4H8OH+O2=R921C4H8OHOO 1.5E+0018 -2.500 0.0 ! ADO 344 CN R512C8H15OHOOH+O2=R922C8H15OHO4H 1.5E+0018 -2.500 0.0 ! ADO 345 CN R513C8H15OHOOH+O2=R924C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 346 CN R514C8H15OHOOH+O2=R926C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 347 CN R515C8H15OHOOH+O2=R927C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 348 CN R516C8H15OHOOH+O2=R929C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 349 CN R518C5H10OH+O2=R934C5H10OHOO 1.9E+0019 -2.500 0.0 ! ADO 350 CN R519C5H10OH+O2=R935C5H10OHOO 1.5E+0018 -2.500 0.0 ! ADO 351 CN R521C7H14OOH+O2=R937C7H14OOOOH 1.7E+0019 -2.500 0.0 ! ADO 352 CN R522C7H14OOH+O2=R938C7H14OOOOH 9.0E+0018 -2.500 0.0 ! ADO 353 CN R525C7H14OOH+O2=R939C7H14OOOOH 1.0E+0019 -2.500 0.0 ! ADO 354 CN R527C7H14OOH+O2=R940C7H14OOOOH 1.0E+0019 -2.500 0.0 ! ADO 355 CN R528C7H14OOH+O2=R941C7H14OOOOH 1.7E+0019 -2.500 0.0 ! ADO 356 CN R529C7H14OOH+O2=R942C7H14OOOOH 9.0E+0018 -2.500 0.0 ! ADO 357 CN R530C7H14OOH+O2=R944C7H14OOOOH 9.5E+0018 -2.500 0.0 ! ADO 358 CN R531C7H14OOH+O2=R945C7H14OOOOH 9.0E+0018 -2.500 0.0 ! ADO 359 CN R532C7H14OOH+O2=R946C7H14OOOOH 1.0E+0019 -2.500 0.0 ! ADO 360 CN R533C7H14OOH+O2=R947C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 361 CN R534C7H14OOH+O2=R948C7H14OOOOH 1.7E+0019 -2.500 0.0 ! ADO 362 CN R535C7H14OOH+O2=R950C7H14OOOOH 9.0E+0018 -2.500 0.0 ! ADO 363 CN R536C7H14OOH+O2=R951C7H14OOOOH 1.5E+0018 -2.500 0.0 ! ADO 364 CN R537C7H14OOH+O2=R953C7H14OOOOH 1.0E+0019 -2.500 0.0 ! ADO 365 CN R538C7H14OOH+O2=R954C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 366 CN R539C7H14OOH+O2=R955C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 367 CN R540C7H14OOH+O2=R957C7H14OOOOH 1.7E+0019 -2.500 0.0 ! ADO 368 CN R542C9H18OOH+O2=R958C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 369 CN R545C9H18OOH+O2=R959C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 370 CN R548C9H18OOH+O2=R960C9H18OOOOH 1.9E+0019 -2.500 0.0 ! ADO 371 CN R550C9H18OOH+O2=R961C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 372 CN R551C9H18OOH+O2=R963C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 373 CN R552C9H18OOH+O2=R964C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 374 CN R553C9H18OOH+O2=R966C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 375 CN R554C9H18OOH+O2=R967C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 376 CN R555C9H18OOH+O2=R968C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 377 CN R556C9H18OOH+O2=R969C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 378 CN R557C9H18OOH+O2=R970C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 379 CN R558C9H18OOH+O2=R972C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 380 CN R559C9H18OOH+O2=R975C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 381 CN R560C9H18OOH+O2=R976C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 382 CN R561C9H18OOH+O2=R978C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 383 CN R563C9H18OOH+O2=R983C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 384 CN R564C9H18OOH+O2=R987C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 385 CN R565C9H18OOH+O2=R989C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 386 CN R566C9H18OOH+O2=R991C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 387 CN R568C9H18OOH+O2=R992C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 388 CN R569C9H18OOH+O2=R994C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 389 CN R570C9H18OOH+O2=R996C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 390 CN R574C9H18OOH+O2=R998C9H18OOOOH 2.5E+0018 -2.500 0.0 ! ADO 391 CN R576C4H8OOH+O2=R999C4H8OOOOH 1.5E+0018 -2.500 0.0 ! ADO 392 CN R577C9H18OOH+O2=R1000C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 393 CN R578C9H18OOH+O2=R1001C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 394 CN R579C9H18OOH+O2=R1003C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 395 CN R580C9H18OOH+O2=R1006C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 396 CN R581C9H18OOH+O2=R1008C9H18OOOOH 3.0E+0018 -2.500 0.0 ! ADO 397 CN R582C9H18OOH+O2=R1009C9H18OOOOH 2.5E+0019 -2.500 0.0 ! ADO 398 CN R583C9H18OOH+O2=R1010C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 399 CN R585C7H15+O2=R1015C7H15OO 9.0E+0018 -2.500 0.0 ! ADO 400 CN R587C9H18OOH+O2=R1019C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 401 CN R588C9H18OOH+O2=R1020C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 402 CN R589C9H18OOH+O2=R1022C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 403 CN R590C9H18OOH+O2=R1025C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 404 CN R591C9H18OOH+O2=R1026C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 405 CN R592C9H18OOH+O2=R1027C9H18OOOOH 2.5E+0019 -2.500 0.0 ! ADO 406 CN R593C9H18OOH+O2=R1028C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 407 CN R596C9H18OOH+O2=R1035C9H18OOOOH 9.5E+0018 -2.500 0.0 ! ADO 408 CN R597C9H18OOH+O2=R1037C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 409 CN R598C9H18OOH+O2=R1039C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 410 CN R599C9H18OOH+O2=R1040C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 411 CN R600C9H18OOH+O2=R1041C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 412 CN R601C9H18OOH+O2=R1043C9H18OOOOH 2.5E+0019 -2.500 0.0 ! ADO 413 CN R604C5H11+O2=R1053C5H11OO 1.5E+0018 -2.500 0.0 ! ADO 414 CN R605C9H18OOH+O2=R1054C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 415 CN R606C9H18OOH+O2=R1056C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 416 CN R607C9H18OOH+O2=R1058C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 417 CN R608C9H18OOH+O2=R1059C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 418 CN R609C9H18OOH+O2=R1061C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 419 CN R611C6H13+O2=R1066C6H13OO 2.5E+0019 -2.500 0.0 ! ADO 420 CN R612C6H13+O2=R1067C6H13OO 1.5E+0018 -2.500 0.0 ! ADO 421 CN R617C7H12OOHZ+O2=R1069C7H12OOOOHZ 1.9E+0019 -2.500 0.0 ! ADO 422 CN R624C7H12OOHX+O2=R1070C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 423 CN R624C7H12OOHX+O2=R1071C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 424 CN R626C7H12OOHZ+O2=R1072C7H12OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 425 CN R627C7H12OOHZ+O2=R1073C7H12OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 426 CN R628C7H12OOHZ+O2=R1074C7H12OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 427 CN R629C7H12OOHZ+O2=R1076C7H12OOOOHZ 1.5E+0018 -2.500 0.0 ! ADO 428 CN R630C7H12OOHZ+O2=R1078C7H12OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 429 CN R631C7H12OOHZ+O2=R1079C7H12OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 430 CN R632C7H12OOHX+O2=R1080C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 431 CN R632C7H12OOHX+O2=R1081C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 432 CN R634C7H12OOHZ+O2=R1083C7H12OOOOHZ 9.5E+0018 -2.500 0.0 ! ADO 433 CN R635C7H12OOHZ+O2=R1084C7H12OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 434 CN R636C7H12OOHZ+O2=R1085C7H12OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 435 CN R637C7H12OOHX+O2=R1086C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 436 CN R637C7H12OOHX+O2=R1087C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 437 CN R644C6H10OOHX+O2=R1089C6H10OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 438 CN R644C6H10OOHX+O2=R1090C6H10OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 439 CN R645C6H10OOHZ+O2=R1091C6H10OOOOHZ 1.7E+0019 -2.500 0.0 ! ADO 440 CN R646C6H10OOHZ+O2=R1092C6H10OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 441 CN R647C6H10OOHZ+O2=R1093C6H10OOOOHZ 1.0E+0019 -2.500 0.0 ! ADO 442 CN R648C6H10OOHX+O2=R1094C6H10OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 443 CN R648C6H10OOHX+O2=R1095C6H10OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 444 CN R651C6H10OOHZ+O2=R1097C6H10OOOOHZ 9.5E+0018 -2.500 0.0 ! ADO 445 CN R652C6H10OOHX+O2=R1098C6H10OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 446 CN R652C6H10OOHX+O2=R1099C6H10OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 447 CN R656C5H8OOHX+O2=R1101C5H8OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 448 CN R656C5H8OOHX+O2=R1102C5H8OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 449 CN R665C5H10OOH+O2=R1104C5H10OOOOH 1.8E+0019 -2.500 0.0 ! ADO 450 CN R669C6H11CHOOOH+O2=R1106C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 451 CN R670C6H11CHOOOH+O2=R1107C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 452 CN R671C6H11CHOOOH+O2=R1110C6H11CHO5H 1.7E+0019 -2.500 0.0 ! ADO 453 CN R672C6H11CHOOOH+O2=R1112C6H11CHO5H 9.0E+0018 -2.500 0.0 ! ADO 454 CN R688C8H14OOHX+O2=R1118C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 455 CN R688C8H14OOHX+O2=R1119C8H14OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 456 CN R689C5H8OOHZ+O2=R1121C5H8OOOOHZ 9.0E+0018 -2.500 0.0 ! ADO 457 CN R697C6H12OOH+O2=R1123C6H12OOOOH 1.9E+0019 -2.500 0.0 ! ADO 458 CN R702C6H12OOH+O2=R1124C6H12OOOOH 1.8E+0019 -2.500 0.0 ! ADO 459 CN R706C6H12COOOH+O2=R1125C6H12CO5H 1.0E+0019 -2.500 0.0 ! ADO 460 CN R708C6H12COOOH+O2=R1130C6H12CO5H 1.0E+0019 -2.500 0.0 ! ADO 461 CN R709C6H12COOOH+O2=R1133C6H12CO5H 1.8E+0019 -2.500 0.0 ! ADO 462 CN R710C6H12COOOH+O2=R1134C6H12CO5H 1.8E+0019 -2.500 0.0 ! ADO 463 CN R711C6H12COOOH+O2=R1135C6H12CO5H 1.8E+0019 -2.500 0.0 ! ADO 464 CN R714C6H12CHO+O2=R668C6H12CHOOO 1.0E+0019 -2.500 0.0 ! ADO 465 CN R715C2H4CHO+O2=R1141C2H4CHOOO 9.0E+0018 -2.500 0.0 ! ADO 466 CN R717C6H12CHO+O2=R722C6H12CHOOO 1.8E+0019 -2.500 0.0 ! ADO 467 CN R718C3H6CHO+O2=R1147C3H6CHOOO 9.0E+0018 -2.500 0.0 ! ADO 468 CN R720C4H8CHO+O2=R1150C4H8CHOOO 9.0E+0018 -2.500 0.0 ! ADO 469 CN R723C6H11CHOOOH+O2=R1154C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 470 CN R724C6H11CHOOOH+O2=R1155C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 471 CN R725C6H11CHOOOH+O2=R1157C6H11CHO5H 1.7E+0019 -2.500 0.0 ! ADO 472 CN R726C6H11CHOOOH+O2=R1160C6H11CHO5H 9.0E+0018 -2.500 0.0 ! ADO 473 CN R733C6H11CHOOOH+O2=R1162C6H11CHO5H 1.9E+0019 -2.500 0.0 ! ADO 474 CN R734C6H11CHOOOH+O2=R1163C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 475 CN R735C6H11CHOOOH+O2=R1164C6H11CHO5H 1.7E+0019 -2.500 0.0 ! ADO 476 CN R736C6H11CHOOOH+O2=R1166C6H11CHO5H 9.0E+0018 -2.500 0.0 ! ADO 477 CN R743C5H10OOH+O2=R1171C5H10OOOOH 9.5E+0018 -2.500 0.0 ! ADO 478 CN R745C6H11CHOOOH+O2=R1172C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 479 CN R746C6H11CHOOOH+O2=R1173C6H11CHO5H 1.9E+0019 -2.500 0.0 ! ADO 480 CN R747C6H11CHOOOH+O2=R1174C6H11CHO5H 9.5E+0018 -2.500 0.0 ! ADO 481 CN R748C6H11CHOOOH+O2=R1175C6H11CHO5H 9.0E+0018 -2.500 0.0 ! ADO 482 CN R749C6H12COOOH+O2=R1177C6H12CO5H 1.0E+0019 -2.500 0.0 ! ADO 483 CN R759C8H16OOH+O2=R1179C8H16OOOOH 1.9E+0019 -2.500 0.0 ! ADO 484 CN R765C8H16OOH+O2=R1180C8H16OOOOH 9.0E+0018 -2.500 0.0 ! ADO 485 CN R770C8H16OOH+O2=R1181C8H16OOOOH 1.9E+0019 -2.500 0.0 ! ADO 486 CN R777C5H9OHOOH+O2=R1182C5H9OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 487 CN R779C6H11OHOOH+O2=R1185C6H11OHO4H 9.0E+0018 -2.500 0.0 ! ADO 488 CN R785C4H7OHOOH+O2=R1193C4H7OHOOOOH 3.0E+0018 -2.500 0.0 ! ADO 489 CN R788C5H9OHOOH+O2=R1194C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 490 CN R790C8H15OHOOH+O2=R1195C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 491 CN R791C6H11OHOOH+O2=R1196C6H11OHO4H 1.5E+0018 -2.500 0.0 ! ADO 492 CN R796C8H15OHOOH+O2=R1201C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 493 CN R797C8H15OHOOH+O2=R1205C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 494 CN R798C8H15OHOOH+O2=R1206C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 495 CN R799C8H15OHOOH+O2=R1208C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 496 CN R800C3H5OHOOH+O2=R1210C3H5OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 497 CN R801C3H5OHOOH+O2=R1211C3H5OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 498 CN R803C8H15OHOOH+O2=R1212C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 499 CN R805C6H11OHOOH+O2=R1213C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 500 CN R809C8H15OHOOH+O2=R1215C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 501 CN R811C8H15OHOOH+O2=R1216C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 502 CN R812C8H15OHOOH+O2=R1218C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 503 CN R813C8H15OHOOH+O2=R1219C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 504 CN R814C8H15OHOOH+O2=R1220C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 505 CN R815C8H15OHOOH+O2=R1222C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 506 CN R816C8H15OHOOH+O2=R1225C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 507 CN R817C4H7OHOOH+O2=R1227C4H7OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 508 CN R818C4H7OHOOH+O2=R1228C4H7OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 509 CN R819C4H7OHOOH+O2=R1229C4H7OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 510 CN R822C8H15OHOOH+O2=R1234C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 511 CN R824C8H15OHOOH+O2=R1235C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 512 CN R827C8H15OHOOH+O2=R1236C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 513 CN R829C8H15OHOOH+O2=R1237C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 514 CN R830C8H15OHOOH+O2=R1238C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 515 CN R831C8H15OHOOH+O2=R1239C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 516 CN R832C8H15OHOOH+O2=R1241C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 517 CN R833C8H15OHOOH+O2=R1242C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 518 CN R834C8H15OHOOH+O2=R1243C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 519 CN R835C8H15OHOOH+O2=R1245C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 520 CN R836C5H9OHOOH+O2=R1247C5H9OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 521 CN R837C5H9OHOOH+O2=R1248C5H9OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 522 CN R838C5H9OHOOH+O2=R1249C5H9OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 523 CN R839C5H9OHOOH+O2=R1250C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 524 CN R842C5H10OH+O2=R1257C5H10OHOO 1.7E+0019 -2.500 0.0 ! ADO 525 CN R844C8H15OHOOH+O2=R1258C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 526 CN R845C8H15OHOOH+O2=R1259C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 527 CN R846C8H15OHOOH+O2=R1260C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 528 CN R849C8H15OHOOH+O2=R1261C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 529 CN R851C6H11OHOOH+O2=R1262C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 530 CN R852C6H11OHOOH+O2=R1263C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 531 CN R853C6H11OHOOH+O2=R1264C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 532 CN R854C6H11OHOOH+O2=R1265C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 533 CN R857C6H12OH+O2=R1197C6H12OHOO 1.7E+0019 -2.500 0.0 ! ADO 534 CN R859C6H12OH+O2=R1277C6H12OHOO 1.8E+0019 -2.500 0.0 ! ADO 535 CN R861C4H7OHOOH+O2=R1278C4H7OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 536 CN R863C5H9OHOOH+O2=R1280C5H9OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 537 CN R865C6H11OHOOH+O2=R1283C6H11OHO4H 9.0E+0018 -2.500 0.0 ! ADO 538 CN R871C8H15OHOOH+O2=R1287C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 539 CN R874C4H7OHOOH+O2=R1288C4H7OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 540 CN R876C5H9OHOOH+O2=R1289C5H9OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 541 CN R878C6H11OHOOH+O2=R1293C6H11OHO4H 9.0E+0018 -2.500 0.0 ! ADO 542 CN R879C8H15OHOOH+O2=R1298C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 543 CN R880C8H15OHOOH+O2=R1302C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 544 CN R881C8H15OHOOH+O2=R1303C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 545 CN R882C8H15OHOOH+O2=R1305C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 546 CN R884C6H12OH+O2=R1310C6H12OHOO 1.0E+0019 -2.500 0.0 ! ADO 547 CN R885C6H12OH+O2=R1311C6H12OHOO 1.9E+0019 -2.500 0.0 ! ADO 548 CN R886C6H12OH+O2=R1313C6H12OHOO 1.5E+0018 -2.500 0.0 ! ADO 549 CN R889C5H9OHOOH+O2=R1315C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 550 CN R891C8H15OHOOH+O2=R1316C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 551 CN R892C6H11OHOOH+O2=R1317C6H11OHO4H 1.5E+0018 -2.500 0.0 ! ADO 552 CN R897C8H15OHOOH+O2=R1322C8H15OHO4H 1.0E+0018 -2.500 0.0 ! ADO 553 CN R898C8H15OHOOH+O2=R1324C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 554 CN R899C8H15OHOOH+O2=R1326C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 555 CN R900C8H15OHOOH+O2=R1327C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 556 CN R901C8H15OHOOH+O2=R1329C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 557 CN R902C3H5OHOOH+O2=R1331C3H5OHOOOOH 1.9E+0019 -2.500 0.0 ! ADO 558 CN R904C8H15OHOOH+O2=R1332C8H15OHO4H 1.5E+0018 -2.500 0.0 ! ADO 559 CN R906C6H11OHOOH+O2=R1333C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 560 CN R910C8H15OHOOH+O2=R1335C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 561 CN R912C8H15OHOOH+O2=R1336C8H15OHO4H 1.1E+0019 -2.500 0.0 ! ADO 562 CN R913C8H15OHOOH+O2=R1338C8H15OHO4H 1.5E+0018 -2.500 0.0 ! ADO 563 CN R914C8H15OHOOH+O2=R1339C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 564 CN R915C8H15OHOOH+O2=R1340C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 565 CN R916C8H15OHOOH+O2=R1342C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 566 CN R917C8H15OHOOH+O2=R1345C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 567 CN R918C4H7OHOOH+O2=R1347C4H7OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 568 CN R919C4H7OHOOH+O2=R1348C4H7OHOOOOH 1.9E+0019 -2.500 0.0 ! ADO 569 CN R920C4H7OHOOH+O2=R1349C4H7OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 570 CN R923C8H15OHOOH+O2=R1352C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 571 CN R925C8H15OHOOH+O2=R1353C8H15OHO4H 1.5E+0018 -2.500 0.0 ! ADO 572 CN R928C8H15OHOOH+O2=R1354C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 573 CN R930C5H9OHOOH+O2=R1355C5H9OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 574 CN R931C5H9OHOOH+O2=R1356C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 575 CN R932C5H9OHOOH+O2=R1357C5H9OHOOOOH 1.9E+0019 -2.500 0.0 ! ADO 576 CN R933C5H9OHOOH+O2=R1358C5H9OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 577 CN R936C5H10OH+O2=R1290C5H10OHOO 1.7E+0019 -2.500 0.0 ! ADO 578 CN R943C7H14OOH+O2=R1365C7H14OOOOH 1.9E+0019 -2.500 0.0 ! ADO 579 CN R949C7H14OOH+O2=R1366C7H14OOOOH 1.9E+0019 -2.500 0.0 ! ADO 580 CN R952C7H14OOH+O2=R1367C7H14OOOOH 9.0E+0018 -2.500 0.0 ! ADO 581 CN R956C7H14OOH+O2=R1368C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 582 CN R962C9H18OOH+O2=R1369C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 583 CN R965C9H18OOH+O2=R1370C9H18OOOOH 1.9E+0019 -2.500 0.0 ! ADO 584 CN R971C9H18OOH+O2=R1371C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 585 CN R973C9H18OOH+O2=R1372C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 586 CN R974C9H18OOH+O2=R1373C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 587 CN R977C9H18OOH+O2=R1374C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 588 CN R979C9H18OOH+O2=R1375C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 589 CN R980C9H18OOH+O2=R1376C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 590 CN R981C9H18OOH+O2=R1377C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 591 CN R982C9H18OOH+O2=R1379C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 592 CN R984C9H18OOH+O2=R1380C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 593 CN R985C9H18OOH+O2=R1381C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 594 CN R986C9H18OOH+O2=R1382C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 595 CN R988C9H18OOH+O2=R1383C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 596 CN R990C9H18OOH+O2=R1384C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 597 CN R993C5H10OOH+O2=R1385C5H10OOOOH 9.0E+0018 -2.500 0.0 ! ADO 598 CN R995C6H12OOH+O2=R1388C6H12OOOOH 9.0E+0018 -2.500 0.0 ! ADO 599 CN R997C7H14OOH+O2=R1392C7H14OOOOH 9.0E+0018 -2.500 0.0 ! ADO 600 CN R1002C5H10OOH+O2=R1397C5H10OOOOH 1.0E+0019 -2.500 0.0 ! ADO 601 CN R1004C9H18OOH+O2=R1398C9H18OOOOH 1.9E+0019 -2.500 0.0 ! ADO 602 CN R1005C6H12OOH+O2=R1399C6H12OOOOH 1.5E+0018 -2.500 0.0 ! ADO 603 CN R1007C7H14OOH+O2=R1403C7H14OOOOH 9.0E+0018 -2.500 0.0 ! ADO 604 CN R1011C9H18OOH+O2=R1408C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 605 CN R1012C9H18OOH+O2=R1412C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 606 CN R1013C9H18OOH+O2=R1413C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 607 CN R1014C9H18OOH+O2=R1415C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 608 CN R1016C7H15+O2=R1420C7H15OO 1.0E+0019 -2.500 0.0 ! ADO 609 CN R1017C7H15+O2=R1421C7H15OO 2.5E+0019 -2.500 0.0 ! ADO 610 CN R1018C7H15+O2=R1423C7H15OO 1.5E+0018 -2.500 0.0 ! ADO 611 CN R1021C6H12OOH+O2=R1425C6H12OOOOH 1.0E+0019 -2.500 0.0 ! ADO 612 CN R1023C9H18OOH+O2=R1426C9H18OOOOH 1.9E+0019 -2.500 0.0 ! ADO 613 CN R1024C7H14OOH+O2=R1427C7H14OOOOH 1.5E+0018 -2.500 0.0 ! ADO 614 CN R1029C9H18OOH+O2=R1432C9H18OOOOH 1.0E+0018 -2.500 0.0 ! ADO 615 CN R1030C9H18OOH+O2=R1434C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 616 CN R1031C9H18OOH+O2=R1436C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 617 CN R1032C9H18OOH+O2=R1438C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 618 CN R1033C9H18OOH+O2=R1440C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 619 CN R1034C4H8OOH+O2=R1442C4H8OOOOH 2.5E+0019 -2.500 0.0 ! ADO 620 CN R1036C9H18OOH+O2=R1443C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 621 CN R1038C7H14OOH+O2=R1444C7H14OOOOH 1.0E+0019 -2.500 0.0 ! ADO 622 CN R1042C9H18OOH+O2=R1446C9H18OOOOH 1.9E+0019 -2.500 0.0 ! ADO 623 CN R1044C9H18OOH+O2=R1447C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 624 CN R1045C9H18OOH+O2=R1449C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 625 CN R1046C9H18OOH+O2=R1451C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 626 CN R1047C9H18OOH+O2=R1454C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 627 CN R1048C9H18OOH+O2=R1456C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 628 CN R1049C9H18OOH+O2=R1457C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 629 CN R1050C5H10OOH+O2=R1458C5H10OOOOH 1.0E+0019 -2.500 0.0 ! ADO 630 CN R1051C5H10OOH+O2=R1459C5H10OOOOH 2.5E+0019 -2.500 0.0 ! ADO 631 CN R1052C5H10OOH+O2=R1460C5H10OOOOH 1.5E+0018 -2.500 0.0 ! ADO 632 CN R1055C9H18OOH+O2=R1463C9H18OOOOH 2.5E+0019 -2.500 0.0 ! ADO 633 CN R1057C9H18OOH+O2=R1464C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 634 CN R1060C9H18OOH+O2=R1465C9H18OOOOH 1.8E+0019 -2.500 0.0 ! ADO 635 CN R1062C6H12OOH+O2=R1466C6H12OOOOH 1.8E+0019 -2.500 0.0 ! ADO 636 CN R1063C6H12OOH+O2=R1467C6H12OOOOH 1.0E+0019 -2.500 0.0 ! ADO 637 CN R1064C6H12OOH+O2=R1468C6H12OOOOH 2.5E+0019 -2.500 0.0 ! ADO 638 CN R1065C6H12OOH+O2=R1469C6H12OOOOH 1.5E+0018 -2.500 0.0 ! ADO 639 CN R1068C6H13+O2=R1400C6H13OO 1.7E+0019 -2.500 0.0 ! ADO 640 CN R1075C7H12OOHX+O2=R1476C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 641 CN R1075C7H12OOHX+O2=R1477C7H12OOOOHZ 1.2E+0010 0.000 -2300.0 ! ADO 642 CN R1082C7H12OOHZ+O2=R1479C7H12OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 643 CN R1088C7H12OOHZ+O2=R1480C7H12OOOOHZ 1.9E+0019 -2.500 0.0 ! ADO 644 CN R1096C6H10OOHZ+O2=R1481C6H10OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 645 CN R1100C6H10OOHZ+O2=R1482C6H10OOOOHZ 1.9E+0019 -2.500 0.0 ! ADO 646 CN R1103C5H8OOHZ+O2=R1483C5H8OOOOHZ 1.8E+0019 -2.500 0.0 ! ADO 647 CN R1105C6H11CHOOOH+O2=R1484C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 648 CN R1108C6H11CHOOOH+O2=R1485C6H11CHO5H 1.1E+0019 -2.500 0.0 ! ADO 649 CN R1109C2H3CHOOOH+O2=R1486C2H3CHO5H 1.5E+0018 -2.500 0.0 ! ADO 650 CN R1111C3H5CHOOOH+O2=R1488C3H5CHO5H 9.0E+0018 -2.500 0.0 ! ADO 651 CN R1113C4H7CHOOOH+O2=R1491C4H7CHO5H 9.0E+0018 -2.500 0.0 ! ADO 652 CN R1115C4H7Y+O2=R679C4H7OOZ 1.2E+0010 0.000 -2300.0 ! ADO 653 CN R1115C4H7Y+O2=R1495C4H7OOZ 1.2E+0010 0.000 -2300.0 ! ADO 654 CN R1116C5H8OOHZ+O2=R1496C5H8OOOOHZ 9.5E+0018 -2.500 0.0 ! ADO 655 CN R1117C5H9X+O2=R682C5H9OOZ 1.2E+0010 0.000 -2300.0 ! ADO 656 CN R1117C5H9X+O2=R1497C5H9OOZ 1.2E+0010 0.000 -2300.0 ! ADO 657 CN R1126C6H11CHOOOH+O2=R1502C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 658 CN R1127C6H11CHOOOH+O2=R1503C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 659 CN R1128C6H11CHOOOH+O2=R1505C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 660 CN R1129C6H11CHOOOH+O2=R1506C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 661 CN R1131C6H12COOOH+O2=R1507C6H12CO5H 1.7E+0019 -2.500 0.0 ! ADO 662 CN R1132C6H12COOOH+O2=R1509C6H12CO5H 9.0E+0018 -2.500 0.0 ! ADO 663 CN R1136C2H4COOOH+O2=R1511C2H4COOOOOH 9.0E+0018 -2.500 0.0 ! ADO 664 CN R1137C6H11CHOOOH+O2=R1513C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 665 CN R1138C6H11CHOOOH+O2=R1514C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 666 CN R1139C6H11CHOOOH+O2=R1515C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 667 CN R1140C6H11CHOOOH+O2=R1516C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 668 CN R1142C6H11CHOOOH+O2=R1519C6H11CHO5H 1.5E+0018 -2.500 0.0 ! ADO 669 CN R1143C6H11CHOOOH+O2=R1520C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 670 CN R1144C6H11CHOOOH+O2=R1521C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 671 CN R1145C6H11CHOOOH+O2=R1522C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 672 CN R1146C6H11CHOOOH+O2=R1523C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 673 CN R1148C3H7CO+O2=R1527C3H7COOO 1.0E+0019 -2.500 0.0 ! ADO 674 CN R1149C6H11CHOOOH+O2=R1528C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 675 CN R1151C4H8CHO+O2=R1493C4H8CHOOO 1.0E+0019 -2.500 0.0 ! ADO 676 CN R1152C4H9CO+O2=R1533C4H9COOO 1.0E+0019 -2.500 0.0 ! ADO 677 CN R1153C6H11CHOOOH+O2=R1535C6H11CHO5H 3.0E+0018 -2.500 0.0 ! ADO 678 CN R1156C2H3CHOOOH+O2=R1536C2H3CHO5H 1.0E+0019 -2.500 0.0 ! ADO 679 CN R1158C6H11CHOOOH+O2=R1537C6H11CHO5H 1.9E+0019 -2.500 0.0 ! ADO 680 CN R1159C3H5CHOOOH+O2=R1538C3H5CHO5H 1.5E+0018 -2.500 0.0 ! ADO 681 CN R1161C4H7CHOOOH+O2=R1541C4H7CHO5H 9.0E+0018 -2.500 0.0 ! ADO 682 CN R1165C3H5CHOOOH+O2=R1545C3H5CHO5H 1.0E+0019 -2.500 0.0 ! ADO 683 CN R1167C4H7CHOOOH+O2=R1546C4H7CHO5H 1.5E+0018 -2.500 0.0 ! ADO 684 CN R1168C4H8OOH+O2=R1550C4H8OOOOH 9.5E+0018 -2.500 0.0 ! ADO 685 CN R1169C4H9+O2=R740C4H9OO 1.7E+0019 -2.500 0.0 ! ADO 686 CN R1170C5H11+O2=R742C5H11OO 1.8E+0019 -2.500 0.0 ! ADO 687 CN R1176C4H7CHOOOH+O2=R1551C4H7CHO5H 1.0E+0019 -2.500 0.0 ! ADO 688 CN R1178C6H11CHOOOH+O2=R1552C6H11CHO5H 1.8E+0019 -2.500 0.0 ! ADO 689 CN R1183C5H9OHOOH+O2=R1553C5H9OHOOOOH 1.9E+0019 -2.500 0.0 ! ADO 690 CN R1184C5H9OHOOH+O2=R1554C5H9OHOOOOH 3.0E+0018 -2.500 0.0 ! ADO 691 CN R1186C6H11OHOOH+O2=R1555C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 692 CN R1187C6H11OHOOH+O2=R1556C6H11OHO4H 1.9E+0019 -2.500 0.0 ! ADO 693 CN R1188C6H11OHOOH+O2=R1557C6H11OHO4H 3.0E+0018 -2.500 0.0 ! ADO 694 CN R1189C3H5OHOOH+O2=R1558C3H5OHOOOOH 3.0E+0018 -2.500 0.0 ! ADO 695 CN R1190C3H6OH+O2=R782C3H6OHOO 1.7E+0019 -2.500 0.0 ! ADO 696 CN R1191C4H7OHOOH+O2=R1559C4H7OHOOOOH 9.5E+0018 -2.500 0.0 ! ADO 697 CN R1192C4H8OH+O2=R784C4H8OHOO 1.8E+0019 -2.500 0.0 ! ADO 698 CN R1198C6H11OHOOH+O2=R1561C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 699 CN R1199C6H11OHOOH+O2=R1562C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 700 CN R1200C6H11OHOOH+O2=R1564C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 701 CN R1202C8H15OHOOH+O2=R1565C8H15OHO4H 1.8E+0019 -2.500 0.0 ! ADO 702 CN R1203C8H15OHOOH+O2=R1566C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 703 CN R1204C8H15OHOOH+O2=R1567C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 704 CN R1207C8H15OHOOH+O2=R1569C8H15OHO4H 1.1E+0019 -2.500 0.0 ! ADO 705 CN R1209C3H5OHOOH+O2=R1570C3H5OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 706 CN R1214C6H11OHOOH+O2=R1572C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 707 CN R1217C8H15OHOOH+O2=R1573C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 708 CN R1221C3H5OHOOH+O2=R1574C3H5OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 709 CN R1223C8H15OHOOH+O2=R1575C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 710 CN R1224C4H7OHOOH+O2=R1576C4H7OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 711 CN R1226C5H9OHOOH+O2=R1579C5H9OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 712 CN R1230C4H7OHOOH+O2=R1583C4H7OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 713 CN R1231C4H7OHOOH+O2=R1584C4H7OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 714 CN R1232C4H7OHOOH+O2=R1585C4H7OHOOOOH 1.7E+0019 -2.500 0.0 ! ADO 715 CN R1233C4H7OHOOH+O2=R1586C4H7OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 716 CN R1240C8H15OHOOH+O2=R1588C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 717 CN R1244C5H9OHOOH+O2=R1589C5H9OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 718 CN R1246C6H11OHOOH+O2=R1592C6H11OHO4H 9.0E+0018 -2.500 0.0 ! ADO 719 CN R1251C5H9OHOOH+O2=R1596C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 720 CN R1252C5H9OHOOH+O2=R1597C5H9OHOOOOH 1.7E+0019 -2.500 0.0 ! ADO 721 CN R1253C5H9OHOOH+O2=R1598C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 722 CN R1254C5H9OHOOH+O2=R1599C5H9OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 723 CN R1255C5H9OHOOH+O2=R1600C5H9OHOOOOH 1.7E+0019 -2.500 0.0 ! ADO 724 CN R1256C5H9OHOOH+O2=R1602C5H9OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 725 CN R1266C6H11OHOOH+O2=R1604C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 726 CN R1267C6H11OHOOH+O2=R1605C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 727 CN R1268C6H11OHOOH+O2=R1606C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 728 CN R1269C6H11OHOOH+O2=R1607C6H11OHO4H 1.7E+0019 -2.500 0.0 ! ADO 729 CN R1270C6H11OHOOH+O2=R1608C6H11OHO4H 9.0E+0018 -2.500 0.0 ! ADO 730 CN R1271C6H11OHOOH+O2=R1610C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 731 CN R1272C6H11OHOOH+O2=R1611C6H11OHO4H 1.7E+0019 -2.500 0.0 ! ADO 732 CN R1273C6H11OHOOH+O2=R1612C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 733 CN R1274C6H11OHOOH+O2=R1613C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 734 CN R1275C6H11OHOOH+O2=R1614C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 735 CN R1276C6H11OHOOH+O2=R1616C6H11OHO4H 1.7E+0019 -2.500 0.0 ! ADO 736 CN R1279C4H7OHOOH+O2=R1618C4H7OHOOOOH 2.5E+0018 -2.500 0.0 ! ADO 737 CN R1281C5H9OHOOH+O2=R1619C5H9OHOOOOH 2.0E+0019 -2.500 0.0 ! ADO 738 CN R1282C5H9OHOOH+O2=R1620C5H9OHOOOOH 2.5E+0018 -2.500 0.0 ! ADO 739 CN R1284C6H11OHOOH+O2=R1621C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 740 CN R1285C6H11OHOOH+O2=R1622C6H11OHO4H 2.0E+0019 -2.500 0.0 ! ADO 741 CN R1286C6H11OHOOH+O2=R1624C6H11OHO4H 2.5E+0018 -2.500 0.0 ! ADO 742 CN R1291C5H9OHOOH+O2=R1627C5H9OHOOOOH 1.9E+0019 -2.500 0.0 ! ADO 743 CN R1292C5H9OHOOH+O2=R1628C5H9OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 744 CN R1295C6H11OHOOH+O2=R1631C6H11OHO4H 3.0E+0018 -2.500 0.0 ! ADO 745 CN R1296C6H11OHOOH+O2=R1632C6H11OHO4H 1.9E+0019 -2.500 0.0 ! ADO 746 CN R1297C6H11OHOOH+O2=R1633C6H11OHO4H 1.5E+0018 -2.500 0.0 ! ADO 747 CN R1299C8H15OHOOH+O2=R1635C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 748 CN R1300C8H15OHOOH+O2=R1636C8H15OHO4H 1.9E+0019 -2.500 0.0 ! ADO 749 CN R1301C8H15OHOOH+O2=R1637C8H15OHO4H 1.5E+0018 -2.500 0.0 ! ADO 750 CN R1304C8H15OHOOH+O2=R1638C8H15OHO4H 1.0E+0019 -2.500 0.0 ! ADO 751 CN R1306C6H11OHOOH+O2=R1639C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 752 CN R1307C6H11OHOOH+O2=R1640C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 753 CN R1308C6H11OHOOH+O2=R1641C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 754 CN R1309C6H11OHOOH+O2=R1642C6H11OHO4H 1.9E+0019 -2.500 0.0 ! ADO 755 CN R1312C6H12OH+O2=R1318C6H12OHOO 1.7E+0019 -2.500 0.0 ! ADO 756 CN R1314C6H12OH+O2=R1294C6H12OHOO 1.8E+0019 -2.500 0.0 ! ADO 757 CN R1319C6H11OHOOH+O2=R1654C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 758 CN R1320C6H11OHOOH+O2=R1655C6H11OHO4H 1.9E+0019 -2.500 0.0 ! ADO 759 CN R1321C6H11OHOOH+O2=R1657C6H11OHO4H 1.5E+0018 -2.500 0.0 ! ADO 760 CN R1323C8H15OHOOH+O2=R1658C8H15OHO4H 1.7E+0019 -2.500 0.0 ! ADO 761 CN R1325C8H15OHOOH+O2=R1659C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 762 CN R1328C3H5OHOOH+O2=R1660C3H5OHOOOOH 1.0E+0018 -2.500 0.0 ! ADO 763 CN R1330C4H7OHOOH+O2=R1662C4H7OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 764 CN R1334C6H11OHOOH+O2=R1665C6H11OHO4H 1.5E+0018 -2.500 0.0 ! ADO 765 CN R1337C8H15OHOOH+O2=R1666C8H15OHO4H 9.0E+0018 -2.500 0.0 ! ADO 766 CN R1341C3H5OHOOH+O2=R1667C3H5OHOOOOH 2.5E+0018 -2.500 0.0 ! ADO 767 CN R1343C8H15OHOOH+O2=R1668C8H15OHO4H 1.1E+0019 -2.500 0.0 ! ADO 768 CN R1344C4H7OHOOH+O2=R1669C4H7OHOOOOH 1.5E+0018 -2.500 0.0 ! ADO 769 CN R1346C5H9OHOOH+O2=R1672C5H9OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 770 CN R1350C4H7OHOOH+O2=R1676C4H7OHOOOOH 2.0E+0019 -2.500 0.0 ! ADO 771 CN R1351C4H7OHOOH+O2=R1677C4H7OHOOOOH 9.5E+0018 -2.500 0.0 ! ADO 772 CN R1359C5H9OHOOH+O2=R1678C5H9OHOOOOH 1.0E+0018 -2.500 0.0 ! ADO 773 CN R1360C5H9OHOOH+O2=R1679C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 774 CN R1361C5H9OHOOH+O2=R1680C5H9OHOOOOH 1.7E+0019 -2.500 0.0 ! ADO 775 CN R1362C5H9OHOOH+O2=R1681C5H9OHOOOOH 9.0E+0018 -2.500 0.0 ! ADO 776 CN R1363C5H9OHOOH+O2=R1682C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 777 CN R1364C5H9OHOOH+O2=R1683C5H9OHOOOOH 1.7E+0019 -2.500 0.0 ! ADO 778 CN R1378C9H18OOH+O2=R1684C9H18OOOOH 1.9E+0019 -2.500 0.0 ! ADO 779 CN R1386C5H10OOH+O2=R1685C5H10OOOOH 1.5E+0018 -2.500 0.0 ! ADO 780 CN R1387C5H10OOH+O2=R1686C5H10OOOOH 2.5E+0018 -2.500 0.0 ! ADO 781 CN R1389C6H12OOH+O2=R1687C6H12OOOOH 2.6E+0019 -2.500 0.0 ! ADO 782 CN R1390C6H12OOH+O2=R1688C6H12OOOOH 1.5E+0018 -2.500 0.0 ! ADO 783 CN R1391C6H12OOH+O2=R1689C6H12OOOOH 2.5E+0018 -2.500 0.0 ! ADO 784 CN R1393C7H14OOH+O2=R1690C7H14OOOOH 1.0E+0019 -2.500 0.0 ! ADO 785 CN R1394C7H14OOH+O2=R1691C7H14OOOOH 2.6E+0019 -2.500 0.0 ! ADO 786 CN R1395C7H14OOH+O2=R1693C7H14OOOOH 1.5E+0018 -2.500 0.0 ! ADO 787 CN R1396C7H14OOH+O2=R1695C7H14OOOOH 2.5E+0018 -2.500 0.0 ! ADO 788 CN R1401C6H12OOH+O2=R1697C6H12OOOOH 2.5E+0019 -2.500 0.0 ! ADO 789 CN R1402C6H12OOH+O2=R1698C6H12OOOOH 1.5E+0018 -2.500 0.0 ! ADO 790 CN R1405C7H14OOH+O2=R1701C7H14OOOOH 3.0E+0018 -2.500 0.0 ! ADO 791 CN R1406C7H14OOH+O2=R1702C7H14OOOOH 2.5E+0019 -2.500 0.0 ! ADO 792 CN R1407C7H14OOH+O2=R1703C7H14OOOOH 1.5E+0018 -2.500 0.0 ! ADO 793 CN R1409C9H18OOH+O2=R1705C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 794 CN R1410C9H18OOH+O2=R1706C9H18OOOOH 2.5E+0019 -2.500 0.0 ! ADO 795 CN R1411C9H18OOH+O2=R1707C9H18OOOOH 1.5E+0018 -2.500 0.0 ! ADO 796 CN R1414C9H18OOH+O2=R1708C9H18OOOOH 1.0E+0019 -2.500 0.0 ! ADO 797 CN R1416C7H14OOH+O2=R1709C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 798 CN R1417C7H14OOH+O2=R1710C7H14OOOOH 1.8E+0019 -2.500 0.0 ! ADO 799 CN R1418C7H14OOH+O2=R1711C7H14OOOOH 1.0E+0019 -2.500 0.0 ! ADO 800 CN R1419C7H14OOH+O2=R1712C7H14OOOOH 2.5E+0019 -2.500 0.0 ! ADO 801 CN R1422C7H15+O2=R1428C7H15OO 1.7E+0019 -2.500 0.0 ! ADO 802 CN R1424C7H15+O2=R1404C7H15OO 1.8E+0019 -2.500 0.0 ! ADO 803 CN R1429C7H14OOH+O2=R1724C7H14OOOOH 1.0E+0019 -2.500 0.0 ! ADO 804 CN R1430C7H14OOH+O2=R1725C7H14OOOOH 2.5E+0019 -2.500 0.0 ! ADO 805 CN R1431C7H14OOH+O2=R1727C7H14OOOOH 1.5E+0018 -2.500 0.0 ! ADO 806 CN R1433C9H18OOH+O2=R1728C9H18OOOOH 1.7E+0019 -2.500 0.0 ! ADO 807 CN R1435C9H18OOH+O2=R1729C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 808 CN R1437C3H6OOH+O2=R1730C3H6OOOOH 1.7E+0019 -2.500 0.0 ! ADO 809 CN R1439C4H8OOH+O2=R1731C4H8OOOOH 1.0E+0018 -2.500 0.0 ! ADO 810 CN R1441C5H10OOH+O2=R1733C5H10OOOOH 9.0E+0018 -2.500 0.0 ! ADO 811 CN R1445C7H14OOH+O2=R1736C7H14OOOOH 1.5E+0018 -2.500 0.0 ! ADO 812 CN R1448C9H18OOH+O2=R1737C9H18OOOOH 9.0E+0018 -2.500 0.0 ! ADO 813 CN R1450C4H8OOH+O2=R1738C4H8OOOOH 2.5E+0018 -2.500 0.0 ! ADO 814 CN R1452C9H18OOH+O2=R1739C9H18OOOOH 1.1E+0019 -2.500 0.0 ! ADO 815 CN R1453C5H10OOH+O2=R1740C5H10OOOOH 1.5E+0018 -2.500 0.0 ! ADO 816 CN R1455C6H12OOH+O2=R1743C6H12OOOOH 9.0E+0018 -2.500 0.0 ! ADO 817 CN R1461C5H10OOH+O2=R1747C5H10OOOOH 2.6E+0019 -2.500 0.0 ! ADO 818 CN R1462C5H10OOH+O2=R1748C5H10OOOOH 9.5E+0018 -2.500 0.0 ! ADO 819 CN R1470C6H12OOH+O2=R1749C6H12OOOOH 1.0E+0018 -2.500 0.0 ! ADO 820 CN R1471C6H12OOH+O2=R1750C6H12OOOOH 1.0E+0019 -2.500 0.0 ! ADO 821 CN R1472C6H12OOH+O2=R1751C6H12OOOOH 1.7E+0019 -2.500 0.0 ! ADO 822 CN R1473C6H12OOH+O2=R1752C6H12OOOOH 9.0E+0018 -2.500 0.0 ! ADO 823 CN R1474C6H12OOH+O2=R1753C6H12OOOOH 1.0E+0019 -2.500 0.0 ! ADO 824 CN R1475C6H12OOH+O2=R1754C6H12OOOOH 1.7E+0019 -2.500 0.0 ! ADO 825 CN R1490C3H6COOOH+O2=R1762C3H6COOOOOH 2.5E+0018 -2.500 0.0 ! ADO 826 CN R1492C4H7CHOOOH+O2=R1763C4H7CHO5H 1.1E+0019 -2.500 0.0 ! ADO 827 CN R1494C4H8COOOH+O2=R1766C4H8COOOOOH 2.5E+0018 -2.500 0.0 ! ADO 828 CN R1498C5H9Y+O2=R1770C5H9OOZ 1.2E+0010 0.000 -2300.0 ! ADO 829 CN R1501C8H15Z+O2=R1120C8H15OOZ 9.0E+0018 -2.500 0.0 ! ADO 830 CN R1504C6H11CHOOOH+O2=R1776C6H11CHO5H 1.0E+0019 -2.500 0.0 ! ADO 831 CN R1508C3H6COOOH+O2=R1777C3H6COOOOOH 9.0E+0018 -2.500 0.0 ! ADO 832 CN R1510C4H8COOOH+O2=R1778C4H8COOOOOH 9.0E+0018 -2.500 0.0 ! ADO 833 CN R1517C2H3CHOOOH+O2=R1782C2H3CHO5H 1.0E+0019 -2.500 0.0 ! ADO 834 CN R1518C2H4COOOH+O2=R1783C2H4COOOOOH 1.0E+0019 -2.500 0.0 ! ADO 835 CN R1524C3H5CHOOOH+O2=R1784C3H5CHO5H 1.8E+0019 -2.500 0.0 ! ADO 836 CN R1525C3H5CHOOOH+O2=R1785C3H5CHO5H 1.0E+0019 -2.500 0.0 ! ADO 837 CN R1526C3H6COOOH+O2=R1786C3H6COOOOOH 1.0E+0019 -2.500 0.0 ! ADO 838 CN R1529C4H7CHOOOH+O2=R1789C4H7CHO5H 1.8E+0019 -2.500 0.0 ! ADO 839 CN R1530C4H7CHOOOH+O2=R1790C4H7CHO5H 1.8E+0019 -2.500 0.0 ! ADO 840 CN R1531C4H7CHOOOH+O2=R1791C4H7CHO5H 1.0E+0019 -2.500 0.0 ! ADO 841 CN R1532C4H8COOOH+O2=R1792C4H8COOOOOH 1.0E+0019 -2.500 0.0 ! ADO 842 CN R1534C4H8CHO+O2=R1547C4H8CHOOO 1.7E+0019 -2.500 0.0 ! ADO 843 CN R1540C3H6COOOH+O2=R1797C3H6COOOOOH 1.0E+0019 -2.500 0.0 ! ADO 844 CN R1543C4H7CHOOOH+O2=R1800C4H7CHO5H 3.0E+0018 -2.500 0.0 ! ADO 845 CN R1544C4H8COOOH+O2=R1801C4H8COOOOOH 1.0E+0019 -2.500 0.0 ! ADO 846 CN R1548C4H7CHOOOH+O2=R1803C4H7CHO5H 1.0E+0019 -2.500 0.0 ! ADO 847 CN R1549C4H8COOOH+O2=R1804C4H8COOOOOH 1.0E+0019 -2.500 0.0 ! ADO 848 CN R1560C6H11OHOOH+O2=R1806C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 849 CN R1563C6H11OHOOH+O2=R1807C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 850 CN R1568C6H11OHOOH+O2=R1808C6H11OHO4H 9.0E+0018 -2.500 0.0 ! ADO 851 CN R1578C4H7OHOOH+O2=R1813C4H7OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 852 CN R1581C5H9OHOOH+O2=R1816C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 853 CN R1582C5H9OHOOH+O2=R1817C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 854 CN R1587C4H7OHOOH+O2=R1818C4H7OHOOOOH 1.1E+0019 -2.500 0.0 ! ADO 855 CN R1590C5H9OHOOH+O2=R1819C5H9OHOOOOH 1.8E+0019 -2.500 0.0 ! ADO 856 CN R1591C5H9OHOOH+O2=R1820C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 857 CN R1593C6H11OHOOH+O2=R1822C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 858 CN R1594C6H11OHOOH+O2=R1823C6H11OHO4H 1.8E+0019 -2.500 0.0 ! ADO 859 CN R1595C6H11OHOOH+O2=R1824C6H11OHO4H 1.0E+0019 -2.500 0.0 ! ADO 860 CN R1601C5H9OHOOH+O2=R1826C5H9OHOOOOH 1.1E+0019 -2.500 0.0 ! ADO 861 CN R1603C5H9OHOOH+O2=R1827C5H9OHOOOOH 1.0E+0019 -2.500 0.0 ! ADO 862 CN RC4H8OH+O2=R1670C4H8OHOO 9.5E+0018 -2.500 0.0 R1671C4H7OHOOH+O2=R1829C4H7OHOOOOH 1.5E+0018 -2.500 0.0 R1828C4H7OHOOH+O2=R1830C4H7OHOOOOH 1.1E+0019 -2.500 0.0 ! ADO 374 CN ! isomerisations : R21C7H13Z=R44C7H13Z 5.7E+0008 1.000 17300.0 ! IS 863 KB R21C7H13Z=R45C7H13X 9.9E+0007 1.000 7500.0 ! IS 864 KB R21C7H13Z=R46C7H13V 8.5E+0006 1.000 19200.0 ! IS 865 KB !R21C7H13Z=R47C7H13V 1.7E+0007 1.000 14800.0 ! IS 866 KB ! Attention R22C6H11Z=R49C6H11X 5.7E+0008 1.000 12800.0 ! IS 867 KB R22C6H11Z=R50C6H11V 4.9E+0007 1.000 13800.0 ! IS 868 KB !R22C6H11Z=R51C6H11V 9.9E+0007 1.000 20200.0 ! IS 869 KB ! Attention R23C5H9Z=R53C5H9V 2.9E+0008 1.000 19100.0 ! IS 870 KB !R23C5H9Z=R54C5H9V 5.7E+0008 1.000 16200.0 ! IS 871 KB ! Attention !R24C4H7Z=R56C4H7V 3.3E+0009 1.000 20700.0 ! IS 872 KB ! Attention R26C5H11=R59C5H11 5.7E+0008 1.000 17300.0 ! IS 873 KB R27C8H15X=R32C8H15Z 5.7E+0008 1.000 27300.0 ! IS 874 KB R27C8H15X=R33C8H15Z 9.9E+0007 1.000 22000.0 ! IS 875 KB R27C8H15X=R29C8H15Z 2.5E+0007 1.000 29900.0 ! IS 876 KB R28C6H13=R63C6H13 5.7E+0008 1.000 17300.0 ! IS 877 KB R28C6H13=R64C6H13 9.9E+0007 1.000 12000.0 ! IS 878 KB R29C8H15Z=R31C8H15Z 5.7E+0008 1.000 17300.0 ! IS 879 KB R29C8H15Z=R30C8H15Z 9.9E+0007 1.000 12000.0 ! IS 880 KB R29C8H15Z=R66C8H15V 1.5E+0006 1.000 22700.0 ! IS 881 KB !R30C8H15Z=R68C8H15V 3.3E+0009 1.000 20700.0 ! IS 882 KB ! Attention R30C8H15Z=R33C8H15Z 5.7E+0008 1.000 17300.0 ! IS 883 KB R31C8H15Z=R66C8H15V 2.9E+0008 1.000 19100.0 ! IS 884 KB !R31C8H15Z=R68C8H15V 5.7E+0008 1.000 16200.0 ! IS 885 KB ! Attention R32C8H15Z=R66C8H15V 4.9E+0007 1.000 13800.0 ! IS 886 KB !R32C8H15Z=R68C8H15V 9.9E+0007 1.000 20200.0 ! IS 887 KB ! Attention R33C8H15Z=R66C8H15V 8.5E+0006 1.000 19200.0 ! IS 888 KB !R33C8H15Z=R68C8H15V 1.7E+0007 1.000 14800.0 ! IS 889 KB ! Attention R34C8H17=R73C8H17 5.7E+0008 1.000 17300.0 ! IS 890 KB R34C8H17=R74C8H17 9.9E+0007 1.000 12000.0 ! IS 891 KB R34C8H17=R35C8H17 4.4E+0006 1.000 23400.0 ! IS 892 KB R35C8H17=R73C8H17 9.9E+0007 1.000 17300.0 ! IS 893 KB R35C8H17=R74C8H17 1.7E+0007 1.000 17400.0 ! IS 894 KB R36C8H16OH=R77C8H16OH 5.7E+0008 1.000 17300.0 ! IS 895 KB R36C8H16OH=R78C8H16OH 9.9E+0007 1.000 12000.0 ! IS 896 KB R36C8H16OH=R79C8H16OH 1.7E+0007 1.000 17400.0 ! IS 897 KB R36C8H16OH=R80C8H16OH 4.4E+0006 1.000 23400.0 ! IS 898 KB R37C8H16OH=R82C8H16OH 5.7E+0008 1.000 17300.0 ! IS 899 KB R37C8H16OH=R83C8H16OH 9.9E+0007 1.000 12000.0 ! IS 900 KB R37C8H16OH=R84C8H16OH 1.7E+0007 1.000 17400.0 ! IS 901 KB R37C8H16OH=R85C8H16OH 2.9E+0006 1.000 20900.0 ! IS 902 KB R38C7H15=R87C7H15 5.7E+0008 1.000 17300.0 ! IS 903 KB R38C7H15=R88C7H15 9.9E+0007 1.000 12000.0 ! IS 904 KB R38C7H15=R89C7H15 1.7E+0007 1.000 17400.0 ! IS 905 KB R39C9H19=R91C9H19 5.7E+0008 1.000 17300.0 ! IS 906 KB R39C9H19=R92C9H19 1.7E+0007 1.000 17400.0 ! IS 907 KB R39C9H19=R93C9H19 4.4E+0006 1.000 23400.0 ! IS 908 KB R40C9H19=R95C9H19 5.7E+0008 1.000 17300.0 ! IS 909 KB R40C9H19=R96C9H19 9.9E+0007 1.000 12000.0 ! IS 910 KB R40C9H19=R97C9H19 1.7E+0007 1.000 17400.0 ! IS 911 KB R40C9H19=R98C9H19 2.9E+0006 1.000 20900.0 ! IS 912 KB R41C3H7OO=R99C3H6OOH 3.3E+0009 1.000 32500.0 ! IS 913 KB R41C3H7OO=R100C3H6OOH 8.6E+0008 1.000 28000.0 ! IS 914 KB R42C4H9OO=R101C4H8OOH 3.3E+0009 1.000 32500.0 ! IS 915 KB R42C4H9OO=R102C4H8OOH 5.7E+0008 1.000 25000.0 ! IS 916 KB R42C4H9OO=R103C4H8OOH 1.5E+0008 1.000 25000.0 ! IS 917 KB R43C7H13OOZ=R104C7H12OOHZ 3.3E+0009 1.000 32500.0 ! IS 918 KB R43C7H13OOZ=R105C7H12OOHZ 5.7E+0008 1.000 25000.0 ! IS 919 KB R43C7H13OOZ=R106C7H12OOHZ 9.9E+0007 1.000 22000.0 ! IS 920 KB R43C7H13OOZ=R107C7H12OOHX 1.7E+0007 1.000 18500.0 ! IS 921 KB !R44C7H13Z=R47C7H13V 3.3E+0009 1.000 20700.0 ! IS 922 KB ! Attention R45C7H13X=R111C7H13Z 5.7E+0008 1.000 27300.0 ! IS 923 KB R46C7H13V=R112C7H13Z 5.7E+0008 1.000 17300.0 ! IS 924 KB R46C7H13V=R111C7H13Z 9.9E+0007 1.000 12000.0 ! IS 925 KB !R47C7H13V=R112C7H13Z 5.7E+0008 1.000 12400.0 ! IS 926 KB ! Attention !R47C7H13V=R111C7H13Z 9.9E+0007 1.000 16400.0 ! IS 927 KB ! Attention R48C6H11OOZ=R113C6H10OOHZ 3.3E+0009 1.000 32500.0 ! IS 928 KB R48C6H11OOZ=R114C6H10OOHZ 5.7E+0008 1.000 25000.0 ! IS 929 KB R48C6H11OOZ=R115C6H10OOHX 9.9E+0007 1.000 19500.0 ! IS 930 KB R48C6H11OOZ=R116C6H10OOHV 8.5E+0006 1.000 25300.0 ! IS 931 KB R50C6H11V=R119C6H11Z 5.7E+0008 1.000 17300.0 ! IS 932 KB !R51C6H11V=R120C6H11Z 3.3E+0009 1.000 16900.0 ! IS 933 KB ! Attention !R51C6H11V=R119C6H11Z 5.7E+0008 1.000 12400.0 ! IS 934 KB ! Attention R52C5H9OOZ=R121C5H8OOHZ 3.3E+0009 1.000 32500.0 ! IS 935 KB R52C5H9OOZ=R122C5H8OOHX 5.7E+0008 1.000 22500.0 ! IS 936 KB R52C5H9OOZ=R123C5H8OOHV 4.9E+0007 1.000 26300.0 ! IS 937 KB !R52C5H9OOZ=R124C5H8OOHV 9.9E+0007 1.000 23800.0 ! IS 938 KB ! Attention !R54C5H9V=R125C5H9Z 3.3E+0009 1.000 16900.0 ! IS 939 KB ! Attention R55C4H7OOZ=R126C4H6OOHX 3.3E+0009 1.000 30000.0 ! IS 940 KB R55C4H7OOZ=R127C4H6OOHV 2.9E+0008 1.000 29300.0 ! IS 941 KB !R55C4H7OOZ=R128C4H6OOHV 5.7E+0008 1.000 27800.0 ! IS 942 KB ! Attention R57C3H5OOZ=R129C3H4OOHV 1.7E+0009 1.000 36800.0 ! IS 943 KB !R57C3H5OOZ=R130C3H4OOHV 3.3E+0009 1.000 33700.0 ! IS 944 KB ! Attention R58C5H11OO=R131C5H10OOH 3.3E+0009 1.000 32500.0 ! IS 945 KB R58C5H11OO=R132C5H10OOH 5.7E+0008 1.000 25000.0 ! IS 946 KB R58C5H11OO=R133C5H10OOH 9.9E+0007 1.000 22000.0 ! IS 947 KB R58C5H11OO=R134C5H10OOH 2.5E+0007 1.000 24000.0 ! IS 948 KB R60C8H15OOZ=R136C8H14OOHV 1.7E+0009 1.000 36800.0 ! IS 949 KB !R60C8H15OOZ=R137C8H14OOHV 3.3E+0009 1.000 33700.0 ! IS 950 KB ! Attention R60C8H15OOZ=R138C8H14OOHZ 3.3E+0009 1.000 32500.0 ! IS 951 KB R60C8H15OOZ=R139C8H14OOHZ 5.7E+0008 1.000 25000.0 ! IS 952 KB R60C8H15OOZ=R140C8H14OOHZ 9.9E+0007 1.000 22000.0 ! IS 953 KB R60C8H15OOZ=R141C8H14OOHZ 1.7E+0007 1.000 21000.0 ! IS 954 KB R61C8H15OOZ=R142C8H14OOHV 1.7E+0009 1.000 36800.0 ! IS 955 KB !R61C8H15OOZ=R143C8H14OOHV 1.7E+0009 1.000 31200.0 ! IS 956 KB ! Attention R62C6H13OO=R144C6H12OOH 3.3E+0009 1.000 32500.0 ! IS 957 KB R62C6H13OO=R145C6H12OOH 5.7E+0008 1.000 25000.0 ! IS 958 KB R62C6H13OO=R146C6H12OOH 9.9E+0007 1.000 22000.0 ! IS 959 KB R62C6H13OO=R147C6H12OOH 1.7E+0007 1.000 21000.0 ! IS 960 KB R65C8H15OOZ=R150C8H14OOHZ 3.3E+0009 1.000 32500.0 ! IS 961 KB R65C8H15OOZ=R151C8H14OOHZ 5.7E+0008 1.000 25000.0 ! IS 962 KB R65C8H15OOZ=R152C8H14OOHZ 9.9E+0007 1.000 22000.0 ! IS 963 KB R65C8H15OOZ=R153C8H14OOHZ 1.7E+0007 1.000 21000.0 ! IS 964 KB R67C8H15OOZ=R155C8H14OOHX 3.3E+0009 1.000 30000.0 ! IS 965 KB R67C8H15OOZ=R156C8H14OOHV 2.9E+0008 1.000 29300.0 ! IS 966 KB !R67C8H15OOZ=R157C8H14OOHV 5.7E+0008 1.000 27800.0 ! IS 967 KB ! Attention R67C8H15OOZ=R158C8H14OOHZ 3.3E+0009 1.000 32500.0 ! IS 968 KB R67C8H15OOZ=R159C8H14OOHZ 5.7E+0008 1.000 25000.0 ! IS 969 KB R67C8H15OOZ=R160C8H14OOHZ 9.9E+0007 1.000 22000.0 ! IS 970 KB R67C8H15OOZ=R161C8H14OOHZ 2.5E+0007 1.000 24000.0 ! IS 971 KB R69C8H15OOZ=R162C8H14OOHZ 3.3E+0009 1.000 32500.0 ! IS 972 KB R69C8H15OOZ=R163C8H14OOHZ 5.7E+0008 1.000 25000.0 ! IS 973 KB R69C8H15OOZ=R164C8H14OOHZ 1.5E+0008 1.000 25000.0 ! IS 974 KB R69C8H15OOZ=R165C8H14OOHZ 3.3E+0009 1.000 32500.0 ! IS 975 KB R69C8H15OOZ=R166C8H14OOHX 5.7E+0008 1.000 22500.0 ! IS 976 KB R69C8H15OOZ=R167C8H14OOHV 4.9E+0007 1.000 26300.0 ! IS 977 KB !R69C8H15OOZ=R168C8H14OOHV 9.9E+0007 1.000 23800.0 ! IS 978 KB ! Attention R70C8H15OOZ=R169C8H14OOHZ 3.3E+0009 1.000 32500.0 ! IS 979 KB R70C8H15OOZ=R170C8H14OOHZ 8.6E+0008 1.000 28000.0 ! IS 980 KB R70C8H15OOZ=R171C8H14OOHZ 3.3E+0009 1.000 32500.0 ! IS 981 KB R70C8H15OOZ=R172C8H14OOHZ 5.7E+0008 1.000 25000.0 ! IS 982 KB R70C8H15OOZ=R173C8H14OOHX 9.9E+0007 1.000 19500.0 ! IS 983 KB R70C8H15OOZ=R174C8H14OOHV 8.5E+0006 1.000 25300.0 ! IS 984 KB R71C8H15OOZ=R175C8H14OOHZ 5.0E+0009 1.000 35500.0 ! IS 985 KB R71C8H15OOZ=R176C8H14OOHZ 3.3E+0009 1.000 32500.0 ! IS 986 KB R71C8H15OOZ=R177C8H14OOHZ 5.7E+0008 1.000 25000.0 ! IS 987 KB R71C8H15OOZ=R178C8H14OOHZ 9.9E+0007 1.000 22000.0 ! IS 988 KB R71C8H15OOZ=R179C8H14OOHX 1.7E+0007 1.000 18500.0 ! IS 989 KB R72C8H17OO=R180C8H16OOH 5.0E+0009 1.000 35500.0 ! IS 990 KB R72C8H17OO=R181C8H16OOH 3.3E+0009 1.000 32500.0 ! IS 991 KB R72C8H17OO=R182C8H16OOH 5.7E+0008 1.000 25000.0 ! IS 992 KB R72C8H17OO=R183C8H16OOH 9.9E+0007 1.000 22000.0 ! IS 993 KB R72C8H17OO=R184C8H16OOH 1.7E+0007 1.000 21000.0 ! IS 994 KB R75C8H17OO=R187C8H16OOH 3.3E+0009 1.000 32500.0 ! IS 995 KB R75C8H17OO=R188C8H16OOH 5.7E+0008 1.000 25000.0 ! IS 996 KB R75C8H17OO=R189C8H16OOH 9.9E+0007 1.000 22000.0 ! IS 997 KB R75C8H17OO=R190C8H16OOH 1.7E+0007 1.000 21000.0 ! IS 998 KB R76C8H16OHOO=R191C8H15OHOOH 3.3E+0009 1.000 30500.0 ! IS 999 KB R76C8H16OHOO=R192C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1000 KB R76C8H16OHOO=R193C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1001 KB R76C8H16OHOO=R194C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1002 KB R76C8H16OHOO=R195C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1003 KB R77C8H16OH=R80C8H16OH 8.6E+0008 1.000 19800.0 ! IS 1004 KB R77C8H16OH=R197C8H16OH 9.9E+0007 1.000 10000.0 ! IS 1005 KB R78C8H16OH=R200C8H16OH 5.7E+0008 1.000 17300.0 ! IS 1006 KB R78C8H16OH=R197C8H16OH 1.7E+0007 1.000 15400.0 ! IS 1007 KB R79C8H16OH=R203C8H16OH 5.7E+0008 1.000 17300.0 ! IS 1008 KB R79C8H16OH=R200C8H16OH 9.9E+0007 1.000 12000.0 ! IS 1009 KB R79C8H16OH=R197C8H16OH 2.9E+0006 1.000 18900.0 ! IS 1010 KB R80C8H16OH=R203C8H16OH 9.9E+0007 1.000 12000.0 ! IS 1011 KB R80C8H16OH=R200C8H16OH 1.7E+0007 1.000 17400.0 ! IS 1012 KB R81C8H16OHOO=R207C8H15OHOOH 1.7E+0009 1.000 27500.0 ! IS 1013 KB R81C8H16OHOO=R208C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1014 KB R81C8H16OHOO=R209C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1015 KB R81C8H16OHOO=R210C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1016 KB R82C8H16OH=R85C8H16OH 5.7E+0008 1.000 17300.0 ! IS 1017 KB R82C8H16OH=R212C8H16OH 1.5E+0008 1.000 14500.0 ! IS 1018 KB R83C8H16OH=R212C8H16OH 8.6E+0008 1.000 19800.0 ! IS 1019 KB R83C8H16OH=R214C8H16OH 2.9E+0008 1.000 13300.0 ! IS 1020 KB R84C8H16OH=R217C8H16OH 5.7E+0008 1.000 17300.0 ! IS 1021 KB R84C8H16OH=R214C8H16OH 4.9E+0007 1.000 8000.0 ! IS 1022 KB R85C8H16OH=R217C8H16OH 9.9E+0007 1.000 12000.0 ! IS 1023 KB R85C8H16OH=R214C8H16OH 8.5E+0006 1.000 13400.0 ! IS 1024 KB R86C7H15OO=R221C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 1025 KB R86C7H15OO=R222C7H14OOH 5.7E+0008 1.000 25000.0 ! IS 1026 KB R86C7H15OO=R223C7H14OOH 9.9E+0007 1.000 22000.0 ! IS 1027 KB R86C7H15OO=R224C7H14OOH 1.7E+0007 1.000 21000.0 ! IS 1028 KB R88C7H15=R89C7H15 5.7E+0008 1.000 17300.0 ! IS 1029 KB R90C9H19OO=R228C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1030 KB R90C9H19OO=R229C9H18OOH 8.6E+0008 1.000 28000.0 ! IS 1031 KB R90C9H19OO=R230C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1032 KB R90C9H19OO=R231C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1033 KB R90C9H19OO=R232C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1034 KB R90C9H19OO=R233C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1035 KB R91C9H19=R93C9H19 8.6E+0008 1.000 19800.0 ! IS 1036 KB R91C9H19=R92C9H19 9.9E+0007 1.000 12000.0 ! IS 1037 KB R92C9H19=R236C9H19 5.7E+0008 1.000 17300.0 ! IS 1038 KB R93C9H19=R236C9H19 9.9E+0007 1.000 12000.0 ! IS 1039 KB R94C9H19OO=R238C9H18OOH 1.7E+0009 1.000 29500.0 ! IS 1040 KB R94C9H19OO=R239C9H18OOH 8.6E+0008 1.000 28000.0 ! IS 1041 KB R94C9H19OO=R240C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1042 KB R94C9H19OO=R241C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1043 KB R94C9H19OO=R242C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1044 KB R95C9H19=R98C9H19 5.7E+0008 1.000 17300.0 ! IS 1045 KB R95C9H19=R244C9H19 1.5E+0008 1.000 14500.0 ! IS 1046 KB R96C9H19=R244C9H19 8.6E+0008 1.000 19800.0 ! IS 1047 KB R96C9H19=R247C9H19 2.9E+0008 1.000 15300.0 ! IS 1048 KB R97C9H19=R250C9H19 5.7E+0008 1.000 17300.0 ! IS 1049 KB R97C9H19=R247C9H19 4.9E+0007 1.000 10000.0 ! IS 1050 KB R98C9H19=R250C9H19 9.9E+0007 1.000 12000.0 ! IS 1051 KB R98C9H19=R247C9H19 8.5E+0006 1.000 15400.0 ! IS 1052 KB R103C4H8OOH=R259C4H8OOH 5.7E+0008 1.000 15300.0 ! IS 1053 KB R104C7H12OOHZ=R107C7H12OOHX 5.7E+0008 1.000 12800.0 ! IS 1054 KB R104C7H12OOHZ=R261C7H12OOHV 4.9E+0007 1.000 13800.0 ! IS 1055 KB !R104C7H12OOHZ=R262C7H12OOHV 9.9E+0007 1.000 20200.0 ! IS 1056 KB ! Attention R105C7H12OOHZ=R261C7H12OOHV 2.9E+0008 1.000 19100.0 ! IS 1057 KB !R105C7H12OOHZ=R262C7H12OOHV 5.7E+0008 1.000 16200.0 ! IS 1058 KB ! Attention !R106C7H12OOHZ=R262C7H12OOHV 3.3E+0009 1.000 20700.0 ! IS 1059 KB ! Attention R106C7H12OOHZ=R265C7H12OOHZ 5.7E+0008 1.000 15300.0 ! IS 1060 KB R107C7H12OOHX=R265C7H12OOHZ 9.9E+0007 1.000 20000.0 ! IS 1061 KB R108C7H13OOZ=R268C7H12OOHX 3.3E+0009 1.000 30000.0 ! IS 1062 KB R108C7H13OOZ=R269C7H12OOHV 2.9E+0008 1.000 29300.0 ! IS 1063 KB !R108C7H13OOZ=R270C7H12OOHV 5.7E+0008 1.000 27800.0 ! IS 1064 KB ! Attention R108C7H13OOZ=R271C7H12OOHZ 3.3E+0009 1.000 32500.0 ! IS 1065 KB R108C7H13OOZ=R272C7H12OOHZ 5.7E+0008 1.000 25000.0 ! IS 1066 KB R108C7H13OOZ=R273C7H12OOHZ 1.5E+0008 1.000 25000.0 ! IS 1067 KB R109C7H13OOZ=R274C7H12OOHV 1.7E+0009 1.000 36800.0 ! IS 1068 KB !R109C7H13OOZ=R275C7H12OOHV 3.3E+0009 1.000 33700.0 ! IS 1069 KB ! Attention R109C7H13OOZ=R276C7H12OOHZ 3.3E+0009 1.000 32500.0 ! IS 1070 KB R109C7H13OOZ=R277C7H12OOHZ 5.7E+0008 1.000 25000.0 ! IS 1071 KB R109C7H13OOZ=R278C7H12OOHZ 9.9E+0007 1.000 22000.0 ! IS 1072 KB R109C7H13OOZ=R279C7H12OOHZ 2.5E+0007 1.000 24000.0 ! IS 1073 KB R110C7H13OOZ=R280C7H12OOHV 1.7E+0009 1.000 36800.0 ! IS 1074 KB !R110C7H13OOZ=R281C7H12OOHV 1.7E+0009 1.000 31200.0 ! IS 1075 KB ! Attention R113C6H10OOHZ=R116C6H10OOHV 2.9E+0008 1.000 19100.0 ! IS 1076 KB !R113C6H10OOHZ=R285C6H10OOHV 5.7E+0008 1.000 16200.0 ! IS 1077 KB ! Attention !R114C6H10OOHZ=R285C6H10OOHV 3.3E+0009 1.000 20700.0 ! IS 1078 KB ! Attention R115C6H10OOHX=R289C6H10OOHZ 5.7E+0008 1.000 25300.0 ! IS 1079 KB R116C6H10OOHV=R289C6H10OOHZ 9.9E+0007 1.000 10000.0 ! IS 1080 KB R117C6H11OOZ=R290C6H10OOHV 1.7E+0009 1.000 36800.0 ! IS 1081 KB !R117C6H11OOZ=R291C6H10OOHV 3.3E+0009 1.000 33700.0 ! IS 1082 KB ! Attention R117C6H11OOZ=R292C6H10OOHZ 3.3E+0009 1.000 32500.0 ! IS 1083 KB R117C6H11OOZ=R293C6H10OOHZ 5.7E+0008 1.000 25000.0 ! IS 1084 KB R117C6H11OOZ=R294C6H10OOHZ 1.5E+0008 1.000 25000.0 ! IS 1085 KB R118C6H11OOZ=R295C6H10OOHV 1.7E+0009 1.000 36800.0 ! IS 1086 KB !R118C6H11OOZ=R296C6H10OOHV 1.7E+0009 1.000 31200.0 ! IS 1087 KB ! Attention !R121C5H8OOHZ=R124C5H8OOHV 3.3E+0009 1.000 20700.0 ! IS 1088 KB ! Attention R123C5H8OOHV=R302C5H8OOHZ 5.7E+0008 1.000 15300.0 ! IS 1089 KB !R124C5H8OOHV=R302C5H8OOHZ 5.7E+0008 1.000 10400.0 ! IS 1090 KB ! Attention !R128C4H6OOHV=R306C4H6OOHZ 3.3E+0009 1.000 14900.0 ! IS 1091 KB ! Attention R131C5H10OOH=R134C5H10OOH 8.6E+0008 1.000 19800.0 ! IS 1092 KB R133C5H10OOH=R310C5H10OOH 5.7E+0008 1.000 15300.0 ! IS 1093 KB R134C5H10OOH=R310C5H10OOH 9.9E+0007 1.000 10000.0 ! IS 1094 KB R135C5H11OO=R312C5H10OOH 5.0E+0009 1.000 35500.0 ! IS 1095 KB R135C5H11OO=R313C5H10OOH 3.3E+0009 1.000 32500.0 ! IS 1096 KB R135C5H11OO=R314C5H10OOH 5.7E+0008 1.000 25000.0 ! IS 1097 KB R135C5H11OO=R315C5H10OOH 1.5E+0008 1.000 25000.0 ! IS 1098 KB R136C8H14OOHV=R139C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1099 KB R136C8H14OOHV=R140C8H14OOHZ 9.9E+0007 1.000 12000.0 ! IS 1100 KB R136C8H14OOHV=R141C8H14OOHZ 1.7E+0007 1.000 17400.0 ! IS 1101 KB R136C8H14OOHV=R316C8H14OOHZ 4.4E+0006 1.000 23400.0 ! IS 1102 KB !R137C8H14OOHV=R138C8H14OOHZ 3.3E+0009 1.000 16900.0 ! IS 1103 KB ! Attention !R137C8H14OOHV=R139C8H14OOHZ 5.7E+0008 1.000 12400.0 ! IS 1104 KB ! Attention !R137C8H14OOHV=R140C8H14OOHZ 9.9E+0007 1.000 16400.0 ! IS 1105 KB ! Attention !R137C8H14OOHV=R141C8H14OOHZ 1.7E+0007 1.000 11000.0 ! IS 1106 KB ! Attention R138C8H14OOHZ=R141C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1107 KB R138C8H14OOHZ=R316C8H14OOHZ 1.5E+0008 1.000 14500.0 ! IS 1108 KB R139C8H14OOHZ=R316C8H14OOHZ 8.6E+0008 1.000 19800.0 ! IS 1109 KB R140C8H14OOHZ=R323C8H14OOHX 2.9E+0008 1.000 9800.0 ! IS 1110 KB R141C8H14OOHZ=R323C8H14OOHX 4.9E+0007 1.000 4500.0 ! IS 1111 KB !R142C8H14OOHV=R327C8H14OOHZ 3.3E+0009 1.000 16900.0 ! IS 1112 KB ! Attention !R142C8H14OOHV=R328C8H14OOHZ 5.7E+0008 1.000 12400.0 ! IS 1113 KB ! Attention !R142C8H14OOHV=R329C8H14OOHZ 9.9E+0007 1.000 16400.0 ! IS 1114 KB ! Attention !R142C8H14OOHV=R330C8H14OOHZ 2.5E+0007 1.000 13500.0 ! IS 1115 KB ! Attention R143C8H14OOHV=R328C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1116 KB R143C8H14OOHV=R329C8H14OOHZ 9.9E+0007 1.000 12000.0 ! IS 1117 KB R143C8H14OOHV=R330C8H14OOHZ 2.5E+0007 1.000 19900.0 ! IS 1118 KB R144C6H12OOH=R147C6H12OOH 5.7E+0008 1.000 17300.0 ! IS 1119 KB R144C6H12OOH=R333C6H12OOH 1.5E+0008 1.000 14500.0 ! IS 1120 KB R145C6H12OOH=R333C6H12OOH 8.6E+0008 1.000 19800.0 ! IS 1121 KB R146C6H12OOH=R318C6H12OOH 5.7E+0008 1.000 15300.0 ! IS 1122 KB R147C6H12OOH=R318C6H12OOH 9.9E+0007 1.000 10000.0 ! IS 1123 KB R148C6H13OO=R337C6H12OOH 3.3E+0009 1.000 32500.0 ! IS 1124 KB R148C6H13OO=R338C6H12OOH 8.6E+0008 1.000 28000.0 ! IS 1125 KB R148C6H13OO=R339C6H12OOH 3.3E+0009 1.000 32500.0 ! IS 1126 KB R148C6H13OO=R340C6H12OOH 5.7E+0008 1.000 25000.0 ! IS 1127 KB R148C6H13OO=R341C6H12OOH 1.5E+0008 1.000 25000.0 ! IS 1128 KB R149C6H13OO=R342C6H12OOH 5.0E+0009 1.000 35500.0 ! IS 1129 KB R149C6H13OO=R343C6H12OOH 3.3E+0009 1.000 32500.0 ! IS 1130 KB R149C6H13OO=R344C6H12OOH 5.7E+0008 1.000 25000.0 ! IS 1131 KB R149C6H13OO=R345C6H12OOH 9.9E+0007 1.000 22000.0 ! IS 1132 KB R149C6H13OO=R346C6H12OOH 2.5E+0007 1.000 24000.0 ! IS 1133 KB R150C8H14OOHZ=R153C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1134 KB R150C8H14OOHZ=R348C8H14OOHX 9.9E+0007 1.000 7500.0 ! IS 1135 KB R150C8H14OOHZ=R349C8H14OOHV 8.5E+0006 1.000 19200.0 ! IS 1136 KB !R150C8H14OOHZ=R350C8H14OOHV 1.7E+0007 1.000 14800.0 ! IS 1137 KB ! Attention R151C8H14OOHZ=R348C8H14OOHX 5.7E+0008 1.000 12800.0 ! IS 1138 KB R151C8H14OOHZ=R349C8H14OOHV 4.9E+0007 1.000 13800.0 ! IS 1139 KB !R151C8H14OOHZ=R350C8H14OOHV 9.9E+0007 1.000 20200.0 ! IS 1140 KB ! Attention R152C8H14OOHZ=R353C8H14OOHZ 5.7E+0008 1.000 15300.0 ! IS 1141 KB R152C8H14OOHZ=R349C8H14OOHV 2.9E+0008 1.000 19100.0 ! IS 1142 KB !R152C8H14OOHZ=R350C8H14OOHV 5.7E+0008 1.000 16200.0 ! IS 1143 KB ! Attention !R153C8H14OOHZ=R350C8H14OOHV 3.3E+0009 1.000 20700.0 ! IS 1144 KB ! Attention R153C8H14OOHZ=R353C8H14OOHZ 9.9E+0007 1.000 10000.0 ! IS 1145 KB R154C6H13CO=R356C6H12CHO 5.7E+0008 1.000 23300.0 ! IS 1146 KB R154C6H13CO=R357C6H12CHO 9.9E+0007 1.000 18000.0 ! IS 1147 KB R154C6H13CO=R358C6H12CHO 1.7E+0007 1.000 23400.0 ! IS 1148 KB R154C6H13CO=R359C6H12CHO 4.4E+0006 1.000 29400.0 ! IS 1149 KB R155C8H14OOHX=R159C8H14OOHZ 5.7E+0008 1.000 27300.0 ! IS 1150 KB R155C8H14OOHX=R160C8H14OOHZ 9.9E+0007 1.000 22000.0 ! IS 1151 KB R155C8H14OOHX=R161C8H14OOHZ 2.5E+0007 1.000 29900.0 ! IS 1152 KB R156C8H14OOHV=R158C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1153 KB R156C8H14OOHV=R159C8H14OOHZ 9.9E+0007 1.000 12000.0 ! IS 1154 KB R156C8H14OOHV=R160C8H14OOHZ 1.7E+0007 1.000 17400.0 ! IS 1155 KB R156C8H14OOHV=R161C8H14OOHZ 4.4E+0006 1.000 23400.0 ! IS 1156 KB !R157C8H14OOHV=R363C8H14OOHZ 1.7E+0009 1.000 12900.0 ! IS 1157 KB ! Attention !R157C8H14OOHV=R158C8H14OOHZ 5.7E+0008 1.000 12400.0 ! IS 1158 KB ! Attention !R157C8H14OOHV=R159C8H14OOHZ 9.9E+0007 1.000 16400.0 ! IS 1159 KB ! Attention !R157C8H14OOHV=R160C8H14OOHZ 1.7E+0007 1.000 11000.0 ! IS 1160 KB ! Attention R158C8H14OOHZ=R161C8H14OOHZ 8.6E+0008 1.000 19800.0 ! IS 1161 KB R160C8H14OOHZ=R363C8H14OOHZ 2.9E+0008 1.000 13300.0 ! IS 1162 KB R161C8H14OOHZ=R363C8H14OOHZ 4.9E+0007 1.000 8000.0 ! IS 1163 KB R162C8H14OOHZ=R166C8H14OOHX 5.7E+0008 1.000 12800.0 ! IS 1164 KB R162C8H14OOHZ=R167C8H14OOHV 4.9E+0007 1.000 13800.0 ! IS 1165 KB !R162C8H14OOHZ=R168C8H14OOHV 9.9E+0007 1.000 20200.0 ! IS 1166 KB ! Attention R163C8H14OOHZ=R165C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1167 KB R163C8H14OOHZ=R166C8H14OOHX 9.9E+0007 1.000 7500.0 ! IS 1168 KB R163C8H14OOHZ=R167C8H14OOHV 8.5E+0006 1.000 19200.0 ! IS 1169 KB !R163C8H14OOHZ=R168C8H14OOHV 1.7E+0007 1.000 14800.0 ! IS 1170 KB ! Attention R164C8H14OOHZ=R373C8H14OOHZ 2.9E+0008 1.000 13300.0 ! IS 1171 KB R164C8H14OOHZ=R165C8H14OOHZ 9.9E+0007 1.000 12000.0 ! IS 1172 KB R164C8H14OOHZ=R166C8H14OOHX 1.7E+0007 1.000 12900.0 ! IS 1173 KB R164C8H14OOHZ=R167C8H14OOHV 1.5E+0006 1.000 22700.0 ! IS 1174 KB !R165C8H14OOHZ=R168C8H14OOHV 3.3E+0009 1.000 20700.0 ! IS 1175 KB ! Attention R167C8H14OOHV=R373C8H14OOHZ 2.9E+0008 1.000 13300.0 ! IS 1176 KB !R168C8H14OOHV=R373C8H14OOHZ 2.9E+0008 1.000 8400.0 ! IS 1177 KB ! Attention R169C8H14OOHZ=R172C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1178 KB R169C8H14OOHZ=R173C8H14OOHX 9.9E+0007 1.000 7500.0 ! IS 1179 KB R169C8H14OOHZ=R174C8H14OOHV 8.5E+0006 1.000 19200.0 ! IS 1180 KB !R169C8H14OOHZ=R380C8H14OOHV 1.7E+0007 1.000 14800.0 ! IS 1181 KB ! Attention R170C8H14OOHZ=R171C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1182 KB R170C8H14OOHZ=R172C8H14OOHZ 9.9E+0007 1.000 12000.0 ! IS 1183 KB R170C8H14OOHZ=R173C8H14OOHX 1.7E+0007 1.000 12900.0 ! IS 1184 KB R170C8H14OOHZ=R174C8H14OOHV 1.5E+0006 1.000 22700.0 ! IS 1185 KB R171C8H14OOHZ=R174C8H14OOHV 2.9E+0008 1.000 19100.0 ! IS 1186 KB !R171C8H14OOHZ=R380C8H14OOHV 5.7E+0008 1.000 16200.0 ! IS 1187 KB ! Attention !R172C8H14OOHZ=R380C8H14OOHV 3.3E+0009 1.000 20700.0 ! IS 1188 KB ! Attention R173C8H14OOHX=R387C8H14OOHZ 2.9E+0008 1.000 23300.0 ! IS 1189 KB R174C8H14OOHV=R387C8H14OOHZ 4.9E+0007 1.000 8000.0 ! IS 1190 KB R175C8H14OOHZ=R177C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 1191 KB R175C8H14OOHZ=R178C8H14OOHZ 9.9E+0007 1.000 12000.0 ! IS 1192 KB R175C8H14OOHZ=R179C8H14OOHX 1.7E+0007 1.000 12900.0 ! IS 1193 KB R175C8H14OOHZ=R392C8H14OOHV 1.5E+0006 1.000 22700.0 ! IS 1194 KB R176C8H14OOHZ=R179C8H14OOHX 5.7E+0008 1.000 12800.0 ! IS 1195 KB R176C8H14OOHZ=R392C8H14OOHV 4.9E+0007 1.000 13800.0 ! IS 1196 KB !R176C8H14OOHZ=R394C8H14OOHV 9.9E+0007 1.000 20200.0 ! IS 1197 KB ! Attention R177C8H14OOHZ=R392C8H14OOHV 2.9E+0008 1.000 19100.0 ! IS 1198 KB !R177C8H14OOHZ=R394C8H14OOHV 5.7E+0008 1.000 16200.0 ! IS 1199 KB ! Attention !R178C8H14OOHZ=R394C8H14OOHV 3.3E+0009 1.000 20700.0 ! IS 1200 KB ! Attention R178C8H14OOHZ=R397C8H14OOHZ 2.9E+0008 1.000 13300.0 ! IS 1201 KB R179C8H14OOHX=R397C8H14OOHZ 4.9E+0007 1.000 18000.0 ! IS 1202 KB R180C8H16OOH=R182C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1203 KB R180C8H16OOH=R183C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1204 KB R180C8H16OOH=R184C8H16OOH 1.7E+0007 1.000 17400.0 ! IS 1205 KB R180C8H16OOH=R403C8H16OOH 2.9E+0006 1.000 20900.0 ! IS 1206 KB R181C8H16OOH=R184C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1207 KB R181C8H16OOH=R403C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1208 KB R181C8H16OOH=R405C8H16OOH 2.5E+0007 1.000 19900.0 ! IS 1209 KB R182C8H16OOH=R403C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1210 KB R182C8H16OOH=R405C8H16OOH 1.5E+0008 1.000 14500.0 ! IS 1211 KB R183C8H16OOH=R405C8H16OOH 8.6E+0008 1.000 19800.0 ! IS 1212 KB R183C8H16OOH=R408C8H16OOH 2.9E+0008 1.000 13300.0 ! IS 1213 KB R184C8H16OOH=R408C8H16OOH 4.9E+0007 1.000 8000.0 ! IS 1214 KB R185C8H17OO=R410C8H16OOH 3.3E+0009 1.000 32500.0 ! IS 1215 KB R185C8H17OO=R411C8H16OOH 5.7E+0008 1.000 25000.0 ! IS 1216 KB R185C8H17OO=R412C8H16OOH 1.5E+0008 1.000 25000.0 ! IS 1217 KB R185C8H17OO=R413C8H16OOH 3.3E+0009 1.000 32500.0 ! IS 1218 KB R185C8H17OO=R414C8H16OOH 5.7E+0008 1.000 25000.0 ! IS 1219 KB R185C8H17OO=R415C8H16OOH 9.9E+0007 1.000 22000.0 ! IS 1220 KB R185C8H17OO=R416C8H16OOH 2.5E+0007 1.000 24000.0 ! IS 1221 KB R186C8H17OO=R417C8H16OOH 3.3E+0009 1.000 32500.0 ! IS 1222 KB R186C8H17OO=R418C8H16OOH 8.6E+0008 1.000 28000.0 ! IS 1223 KB R186C8H17OO=R419C8H16OOH 3.3E+0009 1.000 32500.0 ! IS 1224 KB R186C8H17OO=R420C8H16OOH 5.7E+0008 1.000 25000.0 ! IS 1225 KB R186C8H17OO=R421C8H16OOH 9.9E+0007 1.000 22000.0 ! IS 1226 KB R186C8H17OO=R422C8H16OOH 1.7E+0007 1.000 21000.0 ! IS 1227 KB R187C8H16OOH=R190C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1228 KB R187C8H16OOH=R424C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1229 KB R187C8H16OOH=R425C8H16OOH 1.7E+0007 1.000 17400.0 ! IS 1230 KB R187C8H16OOH=R426C8H16OOH 4.4E+0006 1.000 23400.0 ! IS 1231 KB R188C8H16OOH=R424C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1232 KB R188C8H16OOH=R425C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1233 KB R188C8H16OOH=R426C8H16OOH 2.5E+0007 1.000 19900.0 ! IS 1234 KB R189C8H16OOH=R429C8H16OOH 5.7E+0008 1.000 15300.0 ! IS 1235 KB R189C8H16OOH=R425C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1236 KB R189C8H16OOH=R426C8H16OOH 1.5E+0008 1.000 14500.0 ! IS 1237 KB R190C8H16OOH=R426C8H16OOH 8.6E+0008 1.000 19800.0 ! IS 1238 KB R190C8H16OOH=R429C8H16OOH 9.9E+0007 1.000 10000.0 ! IS 1239 KB R191C8H15OHOOH=R193C8H15OHOOH 5.7E+0008 1.000 23300.0 ! IS 1240 KB R191C8H15OHOOH=R194C8H15OHOOH 9.9E+0007 1.000 18000.0 ! IS 1241 KB R191C8H15OHOOH=R195C8H15OHOOH 1.7E+0007 1.000 23400.0 ! IS 1242 KB R191C8H15OHOOH=R432C8H15OHOOH 2.9E+0006 1.000 26900.0 ! IS 1243 KB R192C8H15OHOOH=R195C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1244 KB R192C8H15OHOOH=R432C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1245 KB R192C8H15OHOOH=R434C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 1246 KB R193C8H15OHOOH=R432C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1247 KB R193C8H15OHOOH=R434C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 1248 KB R194C8H15OHOOH=R434C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 1249 KB R194C8H15OHOOH=R437C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1250 KB R195C8H15OHOOH=R437C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 1251 KB R196C8H16OHOO=R441C8H15OHOOH 6.7E+0009 1.000 32500.0 ! IS 1252 KB R196C8H16OHOO=R442C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1253 KB R196C8H16OHOO=R443C8H15OHOOH 1.5E+0008 1.000 25000.0 ! IS 1254 KB R196C8H16OHOO=R444C8H15OHOOH 6.7E+0009 1.000 32500.0 ! IS 1255 KB R196C8H16OHOO=R445C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1256 KB R196C8H16OHOO=R446C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1257 KB R196C8H16OHOO=R447C8H15OHOOH 1.7E+0007 1.000 19000.0 ! IS 1258 KB R197C8H16OH=R203C8H16OH 5.7E+0008 1.000 23300.0 ! IS 1259 KB R199C8H16OHOO=R450C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1260 KB R199C8H16OHOO=R451C8H15OHOOH 8.6E+0008 1.000 28000.0 ! IS 1261 KB R199C8H16OHOO=R452C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1262 KB R199C8H16OHOO=R453C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1263 KB R199C8H16OHOO=R454C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1264 KB R199C8H16OHOO=R455C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1265 KB R201C4H8OH=R458C4H8OH 5.7E+0008 1.000 15300.0 ! IS 1266 KB R202C8H16OHOO=R459C8H15OHOOH 5.0E+0009 1.000 35500.0 ! IS 1267 KB R202C8H16OHOO=R460C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1268 KB R202C8H16OHOO=R461C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1269 KB R202C8H16OHOO=R462C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1270 KB R202C8H16OHOO=R463C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1271 KB R204C5H10OH=R466C5H10OH 5.7E+0008 1.000 17300.0 ! IS 1272 KB R204C5H10OH=R467C5H10OH 9.9E+0007 1.000 10000.0 ! IS 1273 KB R205C8H16OHOO=R468C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1274 KB R205C8H16OHOO=R469C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1275 KB R205C8H16OHOO=R470C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1276 KB R205C8H16OHOO=R471C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1277 KB R206C6H12OH=R473C6H12OH 5.7E+0008 1.000 17300.0 ! IS 1278 KB R206C6H12OH=R474C6H12OH 9.9E+0007 1.000 12000.0 ! IS 1279 KB R206C6H12OH=R475C6H12OH 1.7E+0007 1.000 15400.0 ! IS 1280 KB R207C8H15OHOOH=R210C8H15OHOOH 5.7E+0008 1.000 23300.0 ! IS 1281 KB R207C8H15OHOOH=R477C8H15OHOOH 9.9E+0007 1.000 18000.0 ! IS 1282 KB R207C8H15OHOOH=R478C8H15OHOOH 1.7E+0007 1.000 23400.0 ! IS 1283 KB R207C8H15OHOOH=R479C8H15OHOOH 4.4E+0006 1.000 29400.0 ! IS 1284 KB R208C8H15OHOOH=R477C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1285 KB R208C8H15OHOOH=R478C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1286 KB R208C8H15OHOOH=R479C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 1287 KB R209C8H15OHOOH=R482C8H15OHOOH 5.7E+0008 1.000 15300.0 ! IS 1288 KB R209C8H15OHOOH=R478C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1289 KB R209C8H15OHOOH=R479C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 1290 KB R210C8H15OHOOH=R479C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 1291 KB R210C8H15OHOOH=R482C8H15OHOOH 9.9E+0007 1.000 10000.0 ! IS 1292 KB R211C8H16OHOO=R485C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1293 KB R211C8H16OHOO=R486C8H15OHOOH 2.9E+0008 1.000 20000.0 ! IS 1294 KB R211C8H16OHOO=R487C8H15OHOOH 1.5E+0008 1.000 25000.0 ! IS 1295 KB R211C8H16OHOO=R488C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1296 KB R211C8H16OHOO=R489C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1297 KB R211C8H16OHOO=R490C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1298 KB R211C8H16OHOO=R491C8H15OHOOH 2.5E+0007 1.000 24000.0 ! IS 1299 KB R212C8H16OH=R217C8H16OH 1.7E+0007 1.000 17400.0 ! IS 1300 KB R212C8H16OH=R214C8H16OH 1.5E+0006 1.000 16900.0 ! IS 1301 KB R213C8H16OHOO=R494C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1302 KB R213C8H16OHOO=R495C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1303 KB R213C8H16OHOO=R496C8H15OHOOH 1.5E+0008 1.000 25000.0 ! IS 1304 KB R213C8H16OHOO=R497C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1305 KB R213C8H16OHOO=R498C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1306 KB R213C8H16OHOO=R499C8H15OHOOH 4.9E+0007 1.000 17000.0 ! IS 1307 KB R213C8H16OHOO=R500C8H15OHOOH 2.5E+0007 1.000 24000.0 ! IS 1308 KB R216C8H16OHOO=R503C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1309 KB R216C8H16OHOO=R504C8H15OHOOH 8.6E+0008 1.000 28000.0 ! IS 1310 KB R216C8H16OHOO=R505C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1311 KB R216C8H16OHOO=R506C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1312 KB R216C8H16OHOO=R507C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1313 KB R216C8H16OHOO=R508C8H15OHOOH 8.5E+0006 1.000 16000.0 ! IS 1314 KB R218C4H8OH=R511C4H8OH 8.6E+0008 1.000 19800.0 ! IS 1315 KB R219C8H16OHOO=R512C8H15OHOOH 5.0E+0009 1.000 35500.0 ! IS 1316 KB R219C8H16OHOO=R513C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1317 KB R219C8H16OHOO=R514C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1318 KB R219C8H16OHOO=R515C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1319 KB R219C8H16OHOO=R516C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1320 KB R220C5H10OH=R518C5H10OH 2.9E+0008 1.000 13300.0 ! IS 1321 KB R220C5H10OH=R519C5H10OH 1.5E+0008 1.000 14500.0 ! IS 1322 KB R221C7H14OOH=R224C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 1323 KB R221C7H14OOH=R521C7H14OOH 9.9E+0007 1.000 12000.0 ! IS 1324 KB R221C7H14OOH=R522C7H14OOH 2.5E+0007 1.000 19900.0 ! IS 1325 KB R222C7H14OOH=R521C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 1326 KB R222C7H14OOH=R522C7H14OOH 1.5E+0008 1.000 14500.0 ! IS 1327 KB R223C7H14OOH=R522C7H14OOH 8.6E+0008 1.000 19800.0 ! IS 1328 KB R223C7H14OOH=R525C7H14OOH 5.7E+0008 1.000 15300.0 ! IS 1329 KB R224C7H14OOH=R525C7H14OOH 9.9E+0007 1.000 10000.0 ! IS 1330 KB R225C7H15OO=R527C7H14OOH 6.7E+0009 1.000 32500.0 ! IS 1331 KB R225C7H15OO=R528C7H14OOH 1.1E+0009 1.000 25000.0 ! IS 1332 KB R225C7H15OO=R529C7H14OOH 3.0E+0008 1.000 25000.0 ! IS 1333 KB R226C7H15OO=R530C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 1334 KB R226C7H15OO=R531C7H14OOH 8.6E+0008 1.000 28000.0 ! IS 1335 KB R226C7H15OO=R532C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 1336 KB R226C7H15OO=R533C7H14OOH 5.7E+0008 1.000 25000.0 ! IS 1337 KB R226C7H15OO=R534C7H14OOH 9.9E+0007 1.000 22000.0 ! IS 1338 KB R226C7H15OO=R535C7H14OOH 2.5E+0007 1.000 24000.0 ! IS 1339 KB R227C7H15OO=R536C7H14OOH 5.0E+0009 1.000 35500.0 ! IS 1340 KB R227C7H15OO=R537C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 1341 KB R227C7H15OO=R538C7H14OOH 5.7E+0008 1.000 25000.0 ! IS 1342 KB R227C7H15OO=R539C7H14OOH 9.9E+0007 1.000 22000.0 ! IS 1343 KB R227C7H15OO=R540C7H14OOH 1.7E+0007 1.000 21000.0 ! IS 1344 KB R228C9H18OOH=R231C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1345 KB R228C9H18OOH=R232C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1346 KB R228C9H18OOH=R233C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1347 KB R228C9H18OOH=R542C9H18OOH 2.9E+0006 1.000 20900.0 ! IS 1348 KB R229C9H18OOH=R230C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1349 KB R229C9H18OOH=R231C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1350 KB R229C9H18OOH=R232C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1351 KB R229C9H18OOH=R233C9H18OOH 2.9E+0006 1.000 20900.0 ! IS 1352 KB R230C9H18OOH=R233C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1353 KB R230C9H18OOH=R542C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1354 KB R230C9H18OOH=R545C9H18OOH 2.5E+0007 1.000 19900.0 ! IS 1355 KB R231C9H18OOH=R542C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1356 KB R231C9H18OOH=R545C9H18OOH 1.5E+0008 1.000 14500.0 ! IS 1357 KB R232C9H18OOH=R545C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 1358 KB R232C9H18OOH=R548C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1359 KB R233C9H18OOH=R548C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 1360 KB R234C9H19OO=R550C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1361 KB R234C9H19OO=R551C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1362 KB R234C9H19OO=R552C9H18OOH 1.5E+0008 1.000 25000.0 ! IS 1363 KB R234C9H19OO=R553C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1364 KB R234C9H19OO=R554C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1365 KB R234C9H19OO=R555C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1366 KB R234C9H19OO=R556C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1367 KB R235C9H19OO=R557C9H18OOH 5.0E+0009 1.000 35500.0 ! IS 1368 KB R235C9H19OO=R558C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1369 KB R235C9H19OO=R559C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1370 KB R235C9H19OO=R560C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1371 KB R235C9H19OO=R561C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1372 KB R237C9H19OO=R563C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1373 KB R237C9H19OO=R564C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1374 KB R237C9H19OO=R565C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1375 KB R237C9H19OO=R566C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1376 KB R238C9H18OOH=R242C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1377 KB R238C9H18OOH=R568C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1378 KB R238C9H18OOH=R569C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1379 KB R238C9H18OOH=R570C9H18OOH 4.4E+0006 1.000 23400.0 ! IS 1380 KB R239C9H18OOH=R241C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1381 KB R239C9H18OOH=R242C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1382 KB R239C9H18OOH=R568C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1383 KB R239C9H18OOH=R569C9H18OOH 2.9E+0006 1.000 20900.0 ! IS 1384 KB R240C9H18OOH=R568C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1385 KB R240C9H18OOH=R569C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1386 KB R240C9H18OOH=R570C9H18OOH 2.5E+0007 1.000 19900.0 ! IS 1387 KB R241C9H18OOH=R569C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1388 KB R241C9H18OOH=R570C9H18OOH 1.5E+0008 1.000 14500.0 ! IS 1389 KB R241C9H18OOH=R574C9H18OOH 5.7E+0008 1.000 15300.0 ! IS 1390 KB R242C9H18OOH=R570C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 1391 KB R242C9H18OOH=R574C9H18OOH 9.9E+0007 1.000 10000.0 ! IS 1392 KB R243C9H19OO=R577C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1393 KB R243C9H19OO=R578C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1394 KB R243C9H19OO=R579C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1395 KB R243C9H19OO=R580C9H18OOH 2.5E+0007 1.000 24000.0 ! IS 1396 KB R243C9H19OO=R581C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1397 KB R243C9H19OO=R582C9H18OOH 2.9E+0008 1.000 22000.0 ! IS 1398 KB R243C9H19OO=R583C9H18OOH 3.0E+0008 1.000 25000.0 ! IS 1399 KB R244C9H19=R250C9H19 1.7E+0007 1.000 17400.0 ! IS 1400 KB R244C9H19=R247C9H19 1.5E+0006 1.000 18900.0 ! IS 1401 KB R246C9H19OO=R587C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1402 KB R246C9H19OO=R588C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1403 KB R246C9H19OO=R589C9H18OOH 1.5E+0008 1.000 25000.0 ! IS 1404 KB R246C9H19OO=R590C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1405 KB R246C9H19OO=R591C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1406 KB R246C9H19OO=R592C9H18OOH 4.9E+0007 1.000 19000.0 ! IS 1407 KB R246C9H19OO=R593C9H18OOH 5.1E+0007 1.000 24000.0 ! IS 1408 KB R249C9H19OO=R596C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1409 KB R249C9H19OO=R597C9H18OOH 8.6E+0008 1.000 28000.0 ! IS 1410 KB R249C9H19OO=R598C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1411 KB R249C9H19OO=R599C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1412 KB R249C9H19OO=R600C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1413 KB R249C9H19OO=R601C9H18OOH 8.5E+0006 1.000 18000.0 ! IS 1414 KB R251C5H11=R604C5H11 1.7E+0009 1.000 19800.0 ! IS 1415 KB R252C9H19OO=R605C9H18OOH 5.0E+0009 1.000 35500.0 ! IS 1416 KB R252C9H19OO=R606C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1417 KB R252C9H19OO=R607C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1418 KB R252C9H19OO=R608C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1419 KB R252C9H19OO=R609C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1420 KB R253C6H13=R611C6H13 2.9E+0008 1.000 15300.0 ! IS 1421 KB R253C6H13=R612C6H13 3.0E+0008 1.000 14500.0 ! IS 1422 KB R261C7H12OOHV=R265C7H12OOHZ 1.7E+0007 1.000 15400.0 ! IS 1423 KB !R262C7H12OOHV=R265C7H12OOHZ 1.7E+0007 1.000 9000.0 ! IS 1424 KB ! Attention R268C7H12OOHX=R272C7H12OOHZ 5.7E+0008 1.000 27300.0 ! IS 1425 KB R268C7H12OOHX=R273C7H12OOHZ 1.5E+0008 1.000 24500.0 ! IS 1426 KB R269C7H12OOHV=R271C7H12OOHZ 5.7E+0008 1.000 17300.0 ! IS 1427 KB R269C7H12OOHV=R272C7H12OOHZ 9.9E+0007 1.000 12000.0 ! IS 1428 KB R269C7H12OOHV=R273C7H12OOHZ 2.5E+0007 1.000 19900.0 ! IS 1429 KB !R270C7H12OOHV=R617C7H12OOHZ 1.7E+0009 1.000 12900.0 ! IS 1430 KB ! Attention !R270C7H12OOHV=R271C7H12OOHZ 5.7E+0008 1.000 12400.0 ! IS 1431 KB ! Attention !R270C7H12OOHV=R272C7H12OOHZ 9.9E+0007 1.000 16400.0 ! IS 1432 KB ! Attention !R270C7H12OOHV=R273C7H12OOHZ 2.5E+0007 1.000 13500.0 ! IS 1433 KB ! Attention R273C7H12OOHZ=R617C7H12OOHZ 2.9E+0008 1.000 13300.0 ! IS 1434 KB R274C7H12OOHV=R277C7H12OOHZ 5.7E+0008 1.000 17300.0 ! IS 1435 KB R274C7H12OOHV=R278C7H12OOHZ 9.9E+0007 1.000 12000.0 ! IS 1436 KB R274C7H12OOHV=R279C7H12OOHZ 2.5E+0007 1.000 19900.0 ! IS 1437 KB !R275C7H12OOHV=R276C7H12OOHZ 3.3E+0009 1.000 16900.0 ! IS 1438 KB ! Attention !R275C7H12OOHV=R277C7H12OOHZ 5.7E+0008 1.000 12400.0 ! IS 1439 KB ! Attention !R275C7H12OOHV=R278C7H12OOHZ 9.9E+0007 1.000 16400.0 ! IS 1440 KB ! Attention !R275C7H12OOHV=R279C7H12OOHZ 2.5E+0007 1.000 13500.0 ! IS 1441 KB ! Attention R276C7H12OOHZ=R279C7H12OOHZ 8.6E+0008 1.000 19800.0 ! IS 1442 KB R278C7H12OOHZ=R624C7H12OOHX 2.9E+0008 1.000 9800.0 ! IS 1443 KB R279C7H12OOHZ=R624C7H12OOHX 4.9E+0007 1.000 4500.0 ! IS 1444 KB !R280C7H12OOHV=R626C7H12OOHZ 3.3E+0009 1.000 16900.0 ! IS 1445 KB ! Attention !R280C7H12OOHV=R627C7H12OOHZ 5.7E+0008 1.000 12400.0 ! IS 1446 KB ! Attention !R280C7H12OOHV=R628C7H12OOHZ 1.5E+0008 1.000 18900.0 ! IS 1447 KB ! Attention R281C7H12OOHV=R627C7H12OOHZ 5.7E+0008 1.000 17300.0 ! IS 1448 KB R281C7H12OOHV=R628C7H12OOHZ 1.5E+0008 1.000 14500.0 ! IS 1449 KB R282C7H13OOZ=R629C7H12OOHZ 5.0E+0009 1.000 35500.0 ! IS 1450 KB R282C7H13OOZ=R630C7H12OOHZ 3.3E+0009 1.000 32500.0 ! IS 1451 KB R282C7H13OOZ=R631C7H12OOHZ 5.7E+0008 1.000 25000.0 ! IS 1452 KB R282C7H13OOZ=R632C7H12OOHX 9.9E+0007 1.000 19500.0 ! IS 1453 KB R282C7H13OOZ=R633C7H12OOHV 8.5E+0006 1.000 25300.0 ! IS 1454 KB R283C7H13OOZ=R634C7H12OOHZ 3.3E+0009 1.000 32500.0 ! IS 1455 KB R283C7H13OOZ=R635C7H12OOHZ 8.6E+0008 1.000 28000.0 ! IS 1456 KB R283C7H13OOZ=R636C7H12OOHZ 3.3E+0009 1.000 32500.0 ! IS 1457 KB R283C7H13OOZ=R637C7H12OOHX 5.7E+0008 1.000 22500.0 ! IS 1458 KB R283C7H13OOZ=R638C7H12OOHV 4.9E+0007 1.000 26300.0 ! IS 1459 KB !R283C7H13OOZ=R639C7H12OOHV 9.9E+0007 1.000 23800.0 ! IS 1460 KB ! Attention !R285C6H10OOHV=R289C6H10OOHZ 9.9E+0007 1.000 14400.0 ! IS 1461 KB ! Attention R290C6H10OOHV=R293C6H10OOHZ 5.7E+0008 1.000 17300.0 ! IS 1462 KB R290C6H10OOHV=R294C6H10OOHZ 1.5E+0008 1.000 14500.0 ! IS 1463 KB !R291C6H10OOHV=R292C6H10OOHZ 3.3E+0009 1.000 16900.0 ! IS 1464 KB ! Attention !R291C6H10OOHV=R293C6H10OOHZ 5.7E+0008 1.000 12400.0 ! IS 1465 KB ! Attention !R291C6H10OOHV=R294C6H10OOHZ 1.5E+0008 1.000 18900.0 ! IS 1466 KB ! Attention R294C6H10OOHZ=R644C6H10OOHX 2.9E+0008 1.000 9800.0 ! IS 1467 KB !R295C6H10OOHV=R645C6H10OOHZ 3.3E+0009 1.000 16900.0 ! IS 1468 KB ! Attention !R295C6H10OOHV=R646C6H10OOHZ 8.6E+0008 1.000 14900.0 ! IS 1469 KB ! Attention R296C6H10OOHV=R646C6H10OOHZ 8.6E+0008 1.000 19800.0 ! IS 1470 KB R297C6H11OOZ=R374C6H10OOHZ 5.0E+0009 1.000 35500.0 ! IS 1471 KB R297C6H11OOZ=R647C6H10OOHZ 3.3E+0009 1.000 32500.0 ! IS 1472 KB R297C6H11OOZ=R648C6H10OOHX 5.7E+0008 1.000 22500.0 ! IS 1473 KB R297C6H11OOZ=R649C6H10OOHV 4.9E+0007 1.000 26300.0 ! IS 1474 KB !R297C6H11OOZ=R650C6H10OOHV 9.9E+0007 1.000 23800.0 ! IS 1475 KB ! Attention R298C6H11OOZ=R651C6H10OOHZ 3.3E+0009 1.000 32500.0 ! IS 1476 KB R298C6H11OOZ=R369C6H10OOHZ 8.6E+0008 1.000 28000.0 ! IS 1477 KB R298C6H11OOZ=R652C6H10OOHX 3.3E+0009 1.000 30000.0 ! IS 1478 KB R298C6H11OOZ=R653C6H10OOHV 2.9E+0008 1.000 29300.0 ! IS 1479 KB !R298C6H11OOZ=R654C6H10OOHV 5.7E+0008 1.000 27800.0 ! IS 1480 KB ! Attention R303C5H9OOZ=R367C5H8OOHZ 5.0E+0009 1.000 35500.0 ! IS 1481 KB R303C5H9OOZ=R656C5H8OOHX 3.3E+0009 1.000 30000.0 ! IS 1482 KB R303C5H9OOZ=R657C5H8OOHV 2.9E+0008 1.000 29300.0 ! IS 1483 KB !R303C5H9OOZ=R658C5H8OOHV 5.7E+0008 1.000 27800.0 ! IS 1484 KB ! Attention R312C5H10OOH=R314C5H10OOH 5.7E+0008 1.000 17300.0 ! IS 1485 KB R312C5H10OOH=R315C5H10OOH 1.5E+0008 1.000 14500.0 ! IS 1486 KB R315C5H10OOH=R665C5H10OOH 2.9E+0008 1.000 13300.0 ! IS 1487 KB R316C8H14OOHZ=R323C8H14OOHX 8.5E+0006 1.000 9900.0 ! IS 1488 KB R668C6H12CHOOO=R317C6H12COOOH 1.7E+0009 1.000 41500.0 ! IS 1489 KB R317C6H12COOOH=R669C6H11CHOOOH 5.7E+0008 1.000 23300.0 ! IS 1490 KB R317C6H12COOOH=R670C6H11CHOOOH 9.9E+0007 1.000 18000.0 ! IS 1491 KB R317C6H12COOOH=R671C6H11CHOOOH 1.7E+0007 1.000 23400.0 ! IS 1492 KB R317C6H12COOOH=R672C6H11CHOOOH 4.4E+0006 1.000 29400.0 ! IS 1493 KB R318C6H12OOH=R333C6H12OOH 2.5E+0007 1.000 25900.0 ! IS 1494 KB R324C4H6OOHZ=R679C4H7OOZ 2.9E+0008 1.000 29000.0 ! IS 1495 KB !R324C4H6OOHZ=R680C4H6OOHV 3.3E+0009 1.000 20700.0 ! IS 1496 KB ! Attention R326C5H8OOHZ=R682C5H9OOZ 4.9E+0007 1.000 21500.0 ! IS 1497 KB R326C5H8OOHZ=R683C5H8OOHV 2.9E+0008 1.000 19100.0 ! IS 1498 KB !R326C5H8OOHZ=R684C5H8OOHV 5.7E+0008 1.000 16200.0 ! IS 1499 KB ! Attention R327C8H14OOHZ=R330C8H14OOHZ 8.6E+0008 1.000 19800.0 ! IS 1500 KB R329C8H14OOHZ=R688C8H14OOHX 5.7E+0008 1.000 12800.0 ! IS 1501 KB R330C8H14OOHZ=R688C8H14OOHX 9.9E+0007 1.000 7500.0 ! IS 1502 KB R337C6H12OOH=R340C6H12OOH 5.7E+0008 1.000 17300.0 ! IS 1503 KB R337C6H12OOH=R341C6H12OOH 1.5E+0008 1.000 14500.0 ! IS 1504 KB R338C6H12OOH=R339C6H12OOH 5.7E+0008 1.000 17300.0 ! IS 1505 KB R338C6H12OOH=R340C6H12OOH 9.9E+0007 1.000 12000.0 ! IS 1506 KB R338C6H12OOH=R341C6H12OOH 2.5E+0007 1.000 19900.0 ! IS 1507 KB R341C6H12OOH=R697C6H12OOH 2.9E+0008 1.000 13300.0 ! IS 1508 KB R342C6H12OOH=R344C6H12OOH 5.7E+0008 1.000 17300.0 ! IS 1509 KB R342C6H12OOH=R345C6H12OOH 9.9E+0007 1.000 12000.0 ! IS 1510 KB R342C6H12OOH=R346C6H12OOH 2.5E+0007 1.000 19900.0 ! IS 1511 KB R343C6H12OOH=R346C6H12OOH 8.6E+0008 1.000 19800.0 ! IS 1512 KB R345C6H12OOH=R702C6H12OOH 2.9E+0008 1.000 13300.0 ! IS 1513 KB R346C6H12OOH=R702C6H12OOH 4.9E+0007 1.000 8000.0 ! IS 1514 KB R348C8H14OOHX=R353C8H14OOHZ 1.7E+0007 1.000 25400.0 ! IS 1515 KB R349C8H14OOHV=R353C8H14OOHZ 2.9E+0006 1.000 18900.0 ! IS 1516 KB R355C6H13COOO=R708C6H12COOOH 3.3E+0009 1.000 32500.0 ! IS 1517 KB R355C6H13COOO=R709C6H12COOOH 5.7E+0008 1.000 25000.0 ! IS 1518 KB R355C6H13COOO=R710C6H12COOOH 9.9E+0007 1.000 22000.0 ! IS 1519 KB R355C6H13COOO=R711C6H12COOOH 1.7E+0007 1.000 21000.0 ! IS 1520 KB R356C6H12CHO=R359C6H12CHO 8.6E+0008 1.000 19800.0 ! IS 1521 KB R357C6H12CHO=R714C6H12CHO 5.7E+0008 1.000 17300.0 ! IS 1522 KB R358C6H12CHO=R717C6H12CHO 5.7E+0008 1.000 17300.0 ! IS 1523 KB R358C6H12CHO=R714C6H12CHO 9.9E+0007 1.000 12000.0 ! IS 1524 KB R359C6H12CHO=R717C6H12CHO 9.9E+0007 1.000 12000.0 ! IS 1525 KB R359C6H12CHO=R714C6H12CHO 1.7E+0007 1.000 17400.0 ! IS 1526 KB R722C6H12CHOOO=R362C6H12COOOH 2.9E+0008 1.000 34000.0 ! IS 1527 KB R362C6H12COOOH=R723C6H11CHOOOH 5.7E+0008 1.000 23300.0 ! IS 1528 KB R362C6H12COOOH=R724C6H11CHOOOH 9.9E+0007 1.000 18000.0 ! IS 1529 KB R362C6H12COOOH=R725C6H11CHOOOH 1.7E+0007 1.000 23400.0 ! IS 1530 KB R362C6H12COOOH=R726C6H11CHOOOH 4.4E+0006 1.000 29400.0 ! IS 1531 KB R367C5H8OOHZ=R657C5H8OOHV 2.9E+0008 1.000 19100.0 ! IS 1532 KB !R367C5H8OOHZ=R658C5H8OOHV 5.7E+0008 1.000 16200.0 ! IS 1533 KB ! Attention R369C6H10OOHZ=R652C6H10OOHX 5.7E+0008 1.000 12800.0 ! IS 1534 KB R369C6H10OOHZ=R653C6H10OOHV 4.9E+0007 1.000 13800.0 ! IS 1535 KB !R369C6H10OOHZ=R654C6H10OOHV 9.9E+0007 1.000 20200.0 ! IS 1536 KB ! Attention R374C6H10OOHZ=R648C6H10OOHX 5.7E+0008 1.000 12800.0 ! IS 1537 KB R374C6H10OOHZ=R649C6H10OOHV 4.9E+0007 1.000 13800.0 ! IS 1538 KB !R374C6H10OOHZ=R650C6H10OOHV 9.9E+0007 1.000 20200.0 ! IS 1539 KB ! Attention R378C6H12COOOH=R733C6H11CHOOOH 2.9E+0008 1.000 19300.0 ! IS 1540 KB R712C6H12CHOOO=R378C6H12COOOH 4.9E+0007 1.000 31000.0 ! IS 1541 KB R378C6H12COOOH=R734C6H11CHOOOH 9.9E+0007 1.000 18000.0 ! IS 1542 KB R378C6H12COOOH=R735C6H11CHOOOH 1.7E+0007 1.000 23400.0 ! IS 1543 KB R378C6H12COOOH=R736C6H11CHOOOH 4.4E+0006 1.000 29400.0 ! IS 1544 KB !R380C8H14OOHV=R387C8H14OOHZ 4.9E+0007 1.000 12400.0 ! IS 1545 KB ! Attention R740C4H9OO=R388C4H8OOH 5.0E+0009 1.000 35500.0 ! IS 1546 KB R388C4H8OOH=R401C4H8OOH 8.6E+0008 1.000 19800.0 ! IS 1547 KB R742C5H11OO=R389C5H10OOH 1.7E+0009 1.000 28000.0 ! IS 1548 KB R389C5H10OOH=R743C5H10OOH 5.7E+0008 1.000 17300.0 ! IS 1549 KB R390C6H12COOOH=R745C6H11CHOOOH 5.7E+0008 1.000 23300.0 ! IS 1550 KB R390C6H12COOOH=R746C6H11CHOOOH 4.9E+0007 1.000 14000.0 ! IS 1551 KB R713C6H12CHOOO=R390C6H12COOOH 8.5E+0006 1.000 30000.0 ! IS 1552 KB R390C6H12COOOH=R747C6H11CHOOOH 1.7E+0007 1.000 23400.0 ! IS 1553 KB R390C6H12COOOH=R748C6H11CHOOOH 4.4E+0006 1.000 29400.0 ! IS 1554 KB R392C8H14OOHV=R397C8H14OOHZ 8.5E+0006 1.000 13400.0 ! IS 1555 KB !R394C8H14OOHV=R397C8H14OOHZ 8.5E+0006 1.000 7000.0 ! IS 1556 KB ! Attention R586C3H7OO=R398C3H6OOH 1.0E+0010 1.000 35500.0 ! IS 1557 KB R740C4H9OO=R401C4H8OOH 8.6E+0008 1.000 28000.0 ! IS 1558 KB R403C8H16OOH=R408C8H16OOH 8.5E+0006 1.000 13400.0 ! IS 1559 KB R405C8H16OOH=R408C8H16OOH 1.5E+0006 1.000 16900.0 ! IS 1560 KB R410C8H16OOH=R414C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1561 KB R410C8H16OOH=R415C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1562 KB R410C8H16OOH=R416C8H16OOH 2.5E+0007 1.000 19900.0 ! IS 1563 KB R411C8H16OOH=R413C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1564 KB R411C8H16OOH=R414C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1565 KB R411C8H16OOH=R415C8H16OOH 1.7E+0007 1.000 17400.0 ! IS 1566 KB R411C8H16OOH=R416C8H16OOH 4.4E+0006 1.000 23400.0 ! IS 1567 KB R412C8H16OOH=R759C8H16OOH 2.9E+0008 1.000 13300.0 ! IS 1568 KB R412C8H16OOH=R413C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1569 KB R412C8H16OOH=R414C8H16OOH 1.7E+0007 1.000 17400.0 ! IS 1570 KB R412C8H16OOH=R415C8H16OOH 2.9E+0006 1.000 20900.0 ! IS 1571 KB R413C8H16OOH=R416C8H16OOH 8.6E+0008 1.000 19800.0 ! IS 1572 KB R415C8H16OOH=R759C8H16OOH 2.9E+0008 1.000 13300.0 ! IS 1573 KB R416C8H16OOH=R759C8H16OOH 4.9E+0007 1.000 8000.0 ! IS 1574 KB R417C8H16OOH=R420C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1575 KB R417C8H16OOH=R421C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1576 KB R417C8H16OOH=R422C8H16OOH 1.7E+0007 1.000 17400.0 ! IS 1577 KB R417C8H16OOH=R765C8H16OOH 4.4E+0006 1.000 23400.0 ! IS 1578 KB R418C8H16OOH=R419C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1579 KB R418C8H16OOH=R420C8H16OOH 9.9E+0007 1.000 12000.0 ! IS 1580 KB R418C8H16OOH=R421C8H16OOH 1.7E+0007 1.000 17400.0 ! IS 1581 KB R418C8H16OOH=R422C8H16OOH 2.9E+0006 1.000 20900.0 ! IS 1582 KB R419C8H16OOH=R422C8H16OOH 5.7E+0008 1.000 17300.0 ! IS 1583 KB R419C8H16OOH=R765C8H16OOH 1.5E+0008 1.000 14500.0 ! IS 1584 KB R420C8H16OOH=R765C8H16OOH 8.6E+0008 1.000 19800.0 ! IS 1585 KB R421C8H16OOH=R770C8H16OOH 2.9E+0008 1.000 13300.0 ! IS 1586 KB R422C8H16OOH=R770C8H16OOH 4.9E+0007 1.000 8000.0 ! IS 1587 KB R424C8H16OOH=R429C8H16OOH 1.7E+0007 1.000 15400.0 ! IS 1588 KB R425C8H16OOH=R429C8H16OOH 2.9E+0006 1.000 18900.0 ! IS 1589 KB R432C8H15OHOOH=R437C8H15OHOOH 8.5E+0006 1.000 13400.0 ! IS 1590 KB R434C8H15OHOOH=R437C8H15OHOOH 1.5E+0006 1.000 16900.0 ! IS 1591 KB R782C3H6OHOO=R438C3H5OHOOH 5.0E+0009 1.000 35500.0 ! IS 1592 KB R784C4H8OHOO=R440C4H7OHOOH 8.6E+0008 1.000 28000.0 ! IS 1593 KB R440C4H7OHOOH=R785C4H7OHOOH 5.7E+0008 1.000 15300.0 ! IS 1594 KB R441C8H15OHOOH=R445C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1595 KB R441C8H15OHOOH=R446C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1596 KB R441C8H15OHOOH=R447C8H15OHOOH 5.7E+0008 1.000 15400.0 ! IS 1597 KB R442C8H15OHOOH=R444C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1598 KB R442C8H15OHOOH=R445C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1599 KB R442C8H15OHOOH=R446C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1600 KB R442C8H15OHOOH=R447C8H15OHOOH 2.9E+0006 1.000 18900.0 ! IS 1601 KB R443C8H15OHOOH=R790C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1602 KB R443C8H15OHOOH=R444C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1603 KB R443C8H15OHOOH=R445C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1604 KB R443C8H15OHOOH=R446C8H15OHOOH 2.9E+0006 1.000 20900.0 ! IS 1605 KB R444C8H15OHOOH=R447C8H15OHOOH 5.7E+0008 1.000 15300.0 ! IS 1606 KB R446C8H15OHOOH=R790C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1607 KB R447C8H15OHOOH=R790C8H15OHOOH 4.9E+0007 1.000 14000.0 ! IS 1608 KB R448C8H16OHOO=R796C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1609 KB R448C8H16OHOO=R797C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1610 KB R448C8H16OHOO=R798C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1611 KB R448C8H16OHOO=R799C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1612 KB R449C3H6OHOO=R800C3H5OHOOH 3.3E+0009 1.000 32500.0 ! IS 1613 KB R449C3H6OHOO=R801C3H5OHOOH 5.7E+0008 1.000 23000.0 ! IS 1614 KB R450C8H15OHOOH=R453C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1615 KB R450C8H15OHOOH=R454C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1616 KB R450C8H15OHOOH=R455C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1617 KB R450C8H15OHOOH=R803C8H15OHOOH 2.9E+0006 1.000 18900.0 ! IS 1618 KB R451C8H15OHOOH=R452C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1619 KB R451C8H15OHOOH=R453C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1620 KB R451C8H15OHOOH=R454C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1621 KB R451C8H15OHOOH=R455C8H15OHOOH 2.9E+0006 1.000 20900.0 ! IS 1622 KB R452C8H15OHOOH=R455C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1623 KB R452C8H15OHOOH=R803C8H15OHOOH 9.9E+0007 1.000 10000.0 ! IS 1624 KB R453C8H15OHOOH=R803C8H15OHOOH 5.7E+0008 1.000 15300.0 ! IS 1625 KB R454C8H15OHOOH=R809C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1626 KB R455C8H15OHOOH=R809C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 1627 KB R456C8H16OHOO=R811C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1628 KB R456C8H16OHOO=R812C8H15OHOOH 5.7E+0008 1.000 23000.0 ! IS 1629 KB R456C8H16OHOO=R813C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1630 KB R456C8H16OHOO=R814C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1631 KB R456C8H16OHOO=R815C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1632 KB R456C8H16OHOO=R816C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1633 KB R457C4H8OHOO=R817C4H7OHOOH 3.3E+0009 1.000 32500.0 ! IS 1634 KB R457C4H8OHOO=R818C4H7OHOOH 5.7E+0008 1.000 25000.0 ! IS 1635 KB R457C4H8OHOO=R819C4H7OHOOH 9.9E+0007 1.000 20000.0 ! IS 1636 KB R459C8H15OHOOH=R461C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1637 KB R459C8H15OHOOH=R462C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1638 KB R459C8H15OHOOH=R463C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1639 KB R459C8H15OHOOH=R822C8H15OHOOH 2.9E+0006 1.000 20900.0 ! IS 1640 KB R460C8H15OHOOH=R463C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1641 KB R460C8H15OHOOH=R822C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1642 KB R460C8H15OHOOH=R824C8H15OHOOH 1.7E+0007 1.000 15400.0 ! IS 1643 KB R461C8H15OHOOH=R822C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1644 KB R461C8H15OHOOH=R824C8H15OHOOH 9.9E+0007 1.000 10000.0 ! IS 1645 KB R462C8H15OHOOH=R824C8H15OHOOH 5.7E+0008 1.000 15300.0 ! IS 1646 KB R462C8H15OHOOH=R827C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1647 KB R463C8H15OHOOH=R827C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 1648 KB R464C8H16OHOO=R829C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1649 KB R464C8H16OHOO=R830C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1650 KB R464C8H16OHOO=R831C8H15OHOOH 9.9E+0007 1.000 20000.0 ! IS 1651 KB R464C8H16OHOO=R832C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1652 KB R464C8H16OHOO=R833C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1653 KB R464C8H16OHOO=R834C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1654 KB R464C8H16OHOO=R835C8H15OHOOH 2.5E+0007 1.000 24000.0 ! IS 1655 KB R465C5H10OHOO=R836C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 1656 KB R465C5H10OHOO=R837C5H9OHOOH 5.7E+0008 1.000 25000.0 ! IS 1657 KB R465C5H10OHOO=R838C5H9OHOOH 9.9E+0007 1.000 22000.0 ! IS 1658 KB R465C5H10OHOO=R839C5H9OHOOH 1.7E+0007 1.000 19000.0 ! IS 1659 KB R467C5H10OH=R842C5H10OH 5.7E+0008 1.000 23300.0 ! IS 1660 KB R468C8H15OHOOH=R471C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1661 KB R468C8H15OHOOH=R844C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1662 KB R468C8H15OHOOH=R845C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1663 KB R468C8H15OHOOH=R846C8H15OHOOH 2.9E+0006 1.000 18900.0 ! IS 1664 KB R469C8H15OHOOH=R844C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1665 KB R469C8H15OHOOH=R845C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1666 KB R469C8H15OHOOH=R846C8H15OHOOH 1.7E+0007 1.000 15400.0 ! IS 1667 KB R470C8H15OHOOH=R849C8H15OHOOH 5.7E+0008 1.000 15300.0 ! IS 1668 KB R470C8H15OHOOH=R845C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1669 KB R470C8H15OHOOH=R846C8H15OHOOH 9.9E+0007 1.000 10000.0 ! IS 1670 KB R471C8H15OHOOH=R846C8H15OHOOH 5.7E+0008 1.000 15300.0 ! IS 1671 KB R471C8H15OHOOH=R849C8H15OHOOH 9.9E+0007 1.000 10000.0 ! IS 1672 KB R472C6H12OHOO=R851C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 1673 KB R472C6H12OHOO=R852C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 1674 KB R472C6H12OHOO=R853C6H11OHOOH 9.9E+0007 1.000 22000.0 ! IS 1675 KB R472C6H12OHOO=R854C6H11OHOOH 1.7E+0007 1.000 21000.0 ! IS 1676 KB R474C6H12OH=R857C6H12OH 5.7E+0008 1.000 17300.0 ! IS 1677 KB R475C6H12OH=R859C6H12OH 5.7E+0008 1.000 23300.0 ! IS 1678 KB R475C6H12OH=R857C6H12OH 9.9E+0007 1.000 18000.0 ! IS 1679 KB R477C8H15OHOOH=R482C8H15OHOOH 1.7E+0007 1.000 15400.0 ! IS 1680 KB R478C8H15OHOOH=R482C8H15OHOOH 2.9E+0006 1.000 18900.0 ! IS 1681 KB R502C3H6OHOO=R484C3H5OHOOH 8.6E+0008 1.000 28000.0 ! IS 1682 KB R485C8H15OHOOH=R489C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1683 KB R485C8H15OHOOH=R490C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1684 KB R485C8H15OHOOH=R491C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 1685 KB R486C8H15OHOOH=R488C8H15OHOOH 5.7E+0008 1.000 23300.0 ! IS 1686 KB R486C8H15OHOOH=R489C8H15OHOOH 9.9E+0007 1.000 18000.0 ! IS 1687 KB R486C8H15OHOOH=R490C8H15OHOOH 1.7E+0007 1.000 23400.0 ! IS 1688 KB R486C8H15OHOOH=R491C8H15OHOOH 4.4E+0006 1.000 29400.0 ! IS 1689 KB R487C8H15OHOOH=R871C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1690 KB R487C8H15OHOOH=R488C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1691 KB R487C8H15OHOOH=R489C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1692 KB R487C8H15OHOOH=R490C8H15OHOOH 2.9E+0006 1.000 20900.0 ! IS 1693 KB R488C8H15OHOOH=R491C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 1694 KB R490C8H15OHOOH=R871C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1695 KB R491C8H15OHOOH=R871C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 1696 KB R492C8H16OHOO=R879C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1697 KB R492C8H16OHOO=R880C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1698 KB R492C8H16OHOO=R881C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1699 KB R492C8H16OHOO=R882C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1700 KB R493C6H12OH=R884C6H12OH 5.7E+0008 1.000 17300.0 ! IS 1701 KB R493C6H12OH=R885C6H12OH 4.9E+0007 1.000 8000.0 ! IS 1702 KB R493C6H12OH=R886C6H12OH 2.5E+0007 1.000 19900.0 ! IS 1703 KB R494C8H15OHOOH=R498C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1704 KB R494C8H15OHOOH=R499C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 1705 KB R494C8H15OHOOH=R500C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 1706 KB R495C8H15OHOOH=R497C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1707 KB R495C8H15OHOOH=R498C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1708 KB R495C8H15OHOOH=R499C8H15OHOOH 8.5E+0006 1.000 13400.0 ! IS 1709 KB R495C8H15OHOOH=R500C8H15OHOOH 4.4E+0006 1.000 23400.0 ! IS 1710 KB R496C8H15OHOOH=R891C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1711 KB R496C8H15OHOOH=R497C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1712 KB R496C8H15OHOOH=R498C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1713 KB R496C8H15OHOOH=R499C8H15OHOOH 1.5E+0006 1.000 16900.0 ! IS 1714 KB R497C8H15OHOOH=R500C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 1715 KB R499C8H15OHOOH=R891C8H15OHOOH 2.9E+0008 1.000 19300.0 ! IS 1716 KB R500C8H15OHOOH=R891C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 1717 KB R501C8H16OHOO=R897C8H15OHOOH 5.0E+0009 1.000 35500.0 ! IS 1718 KB R501C8H16OHOO=R898C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1719 KB R501C8H16OHOO=R899C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1720 KB R501C8H16OHOO=R900C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1721 KB R501C8H16OHOO=R901C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1722 KB R502C3H6OHOO=R902C3H5OHOOH 1.7E+0009 1.000 27500.0 ! IS 1723 KB R503C8H15OHOOH=R506C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1724 KB R503C8H15OHOOH=R507C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1725 KB R503C8H15OHOOH=R508C8H15OHOOH 8.5E+0006 1.000 13400.0 ! IS 1726 KB R503C8H15OHOOH=R904C8H15OHOOH 4.4E+0006 1.000 23400.0 ! IS 1727 KB R504C8H15OHOOH=R505C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1728 KB R504C8H15OHOOH=R506C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1729 KB R504C8H15OHOOH=R507C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1730 KB R504C8H15OHOOH=R508C8H15OHOOH 1.5E+0006 1.000 16900.0 ! IS 1731 KB R505C8H15OHOOH=R508C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1732 KB R505C8H15OHOOH=R904C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 1733 KB R506C8H15OHOOH=R904C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 1734 KB R507C8H15OHOOH=R910C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1735 KB R508C8H15OHOOH=R910C8H15OHOOH 4.9E+0007 1.000 14000.0 ! IS 1736 KB R509C8H16OHOO=R912C8H15OHOOH 1.7E+0009 1.000 27500.0 ! IS 1737 KB R509C8H16OHOO=R913C8H15OHOOH 8.6E+0008 1.000 28000.0 ! IS 1738 KB R509C8H16OHOO=R914C8H15OHOOH 3.3E+0009 1.000 32500.0 ! IS 1739 KB R509C8H16OHOO=R915C8H15OHOOH 5.7E+0008 1.000 25000.0 ! IS 1740 KB R509C8H16OHOO=R916C8H15OHOOH 9.9E+0007 1.000 22000.0 ! IS 1741 KB R509C8H16OHOO=R917C8H15OHOOH 1.7E+0007 1.000 21000.0 ! IS 1742 KB R510C4H8OHOO=R918C4H7OHOOH 3.3E+0009 1.000 32500.0 ! IS 1743 KB R510C4H8OHOO=R919C4H7OHOOH 2.9E+0008 1.000 20000.0 ! IS 1744 KB R510C4H8OHOO=R920C4H7OHOOH 1.5E+0008 1.000 25000.0 ! IS 1745 KB R512C8H15OHOOH=R514C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1746 KB R512C8H15OHOOH=R515C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 1747 KB R512C8H15OHOOH=R516C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 1748 KB R512C8H15OHOOH=R923C8H15OHOOH 1.5E+0006 1.000 16900.0 ! IS 1749 KB R513C8H15OHOOH=R516C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 1750 KB R513C8H15OHOOH=R923C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 1751 KB R513C8H15OHOOH=R925C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 1752 KB R514C8H15OHOOH=R923C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1753 KB R514C8H15OHOOH=R925C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 1754 KB R515C8H15OHOOH=R925C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 1755 KB R515C8H15OHOOH=R928C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 1756 KB R516C8H15OHOOH=R928C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 1757 KB R517C5H10OHOO=R930C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 1758 KB R517C5H10OHOO=R931C5H9OHOOH 5.7E+0008 1.000 25000.0 ! IS 1759 KB R517C5H10OHOO=R932C5H9OHOOH 4.9E+0007 1.000 17000.0 ! IS 1760 KB R517C5H10OHOO=R933C5H9OHOOH 2.5E+0007 1.000 24000.0 ! IS 1761 KB R519C5H10OH=R936C5H10OH 5.7E+0008 1.000 17300.0 ! IS 1762 KB R521C7H14OOH=R525C7H14OOH 1.7E+0007 1.000 15400.0 ! IS 1763 KB R522C7H14OOH=R525C7H14OOH 2.9E+0006 1.000 18900.0 ! IS 1764 KB R527C7H14OOH=R528C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 1765 KB R527C7H14OOH=R529C7H14OOH 1.5E+0008 1.000 14500.0 ! IS 1766 KB R528C7H14OOH=R529C7H14OOH 2.5E+0007 1.000 19900.0 ! IS 1767 KB R529C7H14OOH=R943C7H14OOH 2.9E+0008 1.000 13300.0 ! IS 1768 KB R530C7H14OOH=R533C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 1769 KB R530C7H14OOH=R534C7H14OOH 9.9E+0007 1.000 12000.0 ! IS 1770 KB R530C7H14OOH=R535C7H14OOH 2.5E+0007 1.000 19900.0 ! IS 1771 KB R531C7H14OOH=R532C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 1772 KB R531C7H14OOH=R533C7H14OOH 9.9E+0007 1.000 12000.0 ! IS 1773 KB R531C7H14OOH=R534C7H14OOH 1.7E+0007 1.000 17400.0 ! IS 1774 KB R531C7H14OOH=R535C7H14OOH 4.4E+0006 1.000 23400.0 ! IS 1775 KB R532C7H14OOH=R535C7H14OOH 8.6E+0008 1.000 19800.0 ! IS 1776 KB R534C7H14OOH=R949C7H14OOH 2.9E+0008 1.000 13300.0 ! IS 1777 KB R535C7H14OOH=R949C7H14OOH 4.9E+0007 1.000 8000.0 ! IS 1778 KB R536C7H14OOH=R538C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 1779 KB R536C7H14OOH=R539C7H14OOH 9.9E+0007 1.000 12000.0 ! IS 1780 KB R536C7H14OOH=R540C7H14OOH 1.7E+0007 1.000 17400.0 ! IS 1781 KB R536C7H14OOH=R952C7H14OOH 4.4E+0006 1.000 23400.0 ! IS 1782 KB R537C7H14OOH=R540C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 1783 KB R537C7H14OOH=R952C7H14OOH 1.5E+0008 1.000 14500.0 ! IS 1784 KB R538C7H14OOH=R952C7H14OOH 8.6E+0008 1.000 19800.0 ! IS 1785 KB R539C7H14OOH=R956C7H14OOH 2.9E+0008 1.000 13300.0 ! IS 1786 KB R540C7H14OOH=R956C7H14OOH 4.9E+0007 1.000 8000.0 ! IS 1787 KB R542C9H18OOH=R548C9H18OOH 8.5E+0006 1.000 13400.0 ! IS 1788 KB R545C9H18OOH=R548C9H18OOH 1.5E+0006 1.000 16900.0 ! IS 1789 KB R550C9H18OOH=R554C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1790 KB R550C9H18OOH=R555C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1791 KB R550C9H18OOH=R556C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1792 KB R550C9H18OOH=R962C9H18OOH 4.4E+0006 1.000 23400.0 ! IS 1793 KB R551C9H18OOH=R553C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1794 KB R551C9H18OOH=R554C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1795 KB R551C9H18OOH=R555C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1796 KB R551C9H18OOH=R556C9H18OOH 2.9E+0006 1.000 20900.0 ! IS 1797 KB R552C9H18OOH=R965C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1798 KB R552C9H18OOH=R553C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1799 KB R552C9H18OOH=R554C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1800 KB R552C9H18OOH=R555C9H18OOH 2.9E+0006 1.000 20900.0 ! IS 1801 KB R553C9H18OOH=R556C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1802 KB R553C9H18OOH=R962C9H18OOH 1.5E+0008 1.000 14500.0 ! IS 1803 KB R554C9H18OOH=R962C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 1804 KB R555C9H18OOH=R965C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1805 KB R556C9H18OOH=R965C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 1806 KB R557C9H18OOH=R559C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1807 KB R557C9H18OOH=R560C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1808 KB R557C9H18OOH=R561C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1809 KB R557C9H18OOH=R971C9H18OOH 2.9E+0006 1.000 20900.0 ! IS 1810 KB R558C9H18OOH=R561C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1811 KB R558C9H18OOH=R971C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1812 KB R558C9H18OOH=R973C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1813 KB R558C9H18OOH=R974C9H18OOH 4.4E+0006 1.000 23400.0 ! IS 1814 KB R559C9H18OOH=R971C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1815 KB R559C9H18OOH=R973C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1816 KB R559C9H18OOH=R974C9H18OOH 2.5E+0007 1.000 19900.0 ! IS 1817 KB R560C9H18OOH=R973C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1818 KB R560C9H18OOH=R974C9H18OOH 1.5E+0008 1.000 14500.0 ! IS 1819 KB R560C9H18OOH=R977C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1820 KB R561C9H18OOH=R974C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 1821 KB R561C9H18OOH=R977C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 1822 KB R562C9H19OO=R979C9H18OOH 6.7E+0009 1.000 32500.0 ! IS 1823 KB R562C9H19OO=R980C9H18OOH 1.1E+0009 1.000 25000.0 ! IS 1824 KB R562C9H19OO=R981C9H18OOH 2.0E+0008 1.000 22000.0 ! IS 1825 KB R562C9H19OO=R982C9H18OOH 5.1E+0007 1.000 24000.0 ! IS 1826 KB R563C9H18OOH=R566C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1827 KB R563C9H18OOH=R984C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1828 KB R563C9H18OOH=R985C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1829 KB R563C9H18OOH=R986C9H18OOH 2.9E+0006 1.000 20900.0 ! IS 1830 KB R564C9H18OOH=R984C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1831 KB R564C9H18OOH=R985C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1832 KB R564C9H18OOH=R986C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1833 KB R564C9H18OOH=R988C9H18OOH 4.4E+0006 1.000 23400.0 ! IS 1834 KB R565C9H18OOH=R990C9H18OOH 5.7E+0008 1.000 15300.0 ! IS 1835 KB R565C9H18OOH=R985C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1836 KB R565C9H18OOH=R986C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1837 KB R565C9H18OOH=R988C9H18OOH 2.5E+0007 1.000 19900.0 ! IS 1838 KB R566C9H18OOH=R986C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1839 KB R566C9H18OOH=R988C9H18OOH 1.5E+0008 1.000 14500.0 ! IS 1840 KB R566C9H18OOH=R990C9H18OOH 9.9E+0007 1.000 10000.0 ! IS 1841 KB R568C9H18OOH=R574C9H18OOH 1.7E+0007 1.000 15400.0 ! IS 1842 KB R569C9H18OOH=R574C9H18OOH 2.9E+0006 1.000 18900.0 ! IS 1843 KB R595C4H9OO=R576C4H8OOH 1.7E+0009 1.000 28000.0 ! IS 1844 KB R577C9H18OOH=R580C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 1845 KB R577C9H18OOH=R582C9H18OOH 2.9E+0008 1.000 15300.0 ! IS 1846 KB R577C9H18OOH=R583C9H18OOH 3.0E+0008 1.000 14500.0 ! IS 1847 KB R578C9H18OOH=R581C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1848 KB R578C9H18OOH=R582C9H18OOH 4.9E+0007 1.000 10000.0 ! IS 1849 KB R578C9H18OOH=R583C9H18OOH 5.1E+0007 1.000 19900.0 ! IS 1850 KB R579C9H18OOH=R1004C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1851 KB R579C9H18OOH=R581C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1852 KB R579C9H18OOH=R582C9H18OOH 8.5E+0006 1.000 15400.0 ! IS 1853 KB R579C9H18OOH=R583C9H18OOH 8.7E+0006 1.000 23400.0 ! IS 1854 KB R580C9H18OOH=R1004C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 1855 KB R580C9H18OOH=R581C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1856 KB R580C9H18OOH=R582C9H18OOH 1.5E+0006 1.000 18900.0 ! IS 1857 KB R583C9H18OOH=R1004C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1858 KB R584C9H19OO=R1011C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1859 KB R584C9H19OO=R1012C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1860 KB R584C9H19OO=R1013C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1861 KB R584C9H19OO=R1014C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1862 KB R585C7H15=R1016C7H15 5.7E+0008 1.000 17300.0 ! IS 1863 KB R585C7H15=R1017C7H15 4.9E+0007 1.000 10000.0 ! IS 1864 KB R585C7H15=R1018C7H15 5.1E+0007 1.000 19900.0 ! IS 1865 KB R587C9H18OOH=R591C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1866 KB R587C9H18OOH=R592C9H18OOH 4.9E+0007 1.000 10000.0 ! IS 1867 KB R587C9H18OOH=R593C9H18OOH 5.1E+0007 1.000 19900.0 ! IS 1868 KB R588C9H18OOH=R590C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1869 KB R588C9H18OOH=R591C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1870 KB R588C9H18OOH=R592C9H18OOH 8.5E+0006 1.000 15400.0 ! IS 1871 KB R588C9H18OOH=R593C9H18OOH 8.7E+0006 1.000 23400.0 ! IS 1872 KB R589C9H18OOH=R1023C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1873 KB R589C9H18OOH=R590C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1874 KB R589C9H18OOH=R591C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1875 KB R589C9H18OOH=R592C9H18OOH 1.5E+0006 1.000 18900.0 ! IS 1876 KB R590C9H18OOH=R593C9H18OOH 1.7E+0009 1.000 19800.0 ! IS 1877 KB R592C9H18OOH=R1023C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1878 KB R593C9H18OOH=R1023C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 1879 KB R594C9H19OO=R1029C9H18OOH 1.0E+0010 1.000 35500.0 ! IS 1880 KB R594C9H19OO=R1030C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1881 KB R594C9H19OO=R1031C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1882 KB R594C9H19OO=R1032C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1883 KB R594C9H19OO=R1033C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1884 KB R595C4H9OO=R1034C4H8OOH 1.7E+0009 1.000 29500.0 ! IS 1885 KB R596C9H18OOH=R599C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1886 KB R596C9H18OOH=R600C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1887 KB R596C9H18OOH=R601C9H18OOH 8.5E+0006 1.000 15400.0 ! IS 1888 KB R596C9H18OOH=R1036C9H18OOH 8.7E+0006 1.000 23400.0 ! IS 1889 KB R597C9H18OOH=R598C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1890 KB R597C9H18OOH=R599C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1891 KB R597C9H18OOH=R600C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1892 KB R597C9H18OOH=R601C9H18OOH 1.5E+0006 1.000 18900.0 ! IS 1893 KB R598C9H18OOH=R601C9H18OOH 2.9E+0008 1.000 15300.0 ! IS 1894 KB R598C9H18OOH=R1036C9H18OOH 3.0E+0008 1.000 14500.0 ! IS 1895 KB R599C9H18OOH=R1036C9H18OOH 1.7E+0009 1.000 19800.0 ! IS 1896 KB R600C9H18OOH=R1042C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1897 KB R601C9H18OOH=R1042C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 1898 KB R602C9H19OO=R1044C9H18OOH 3.3E+0009 1.000 32500.0 ! IS 1899 KB R602C9H19OO=R1045C9H18OOH 5.7E+0008 1.000 25000.0 ! IS 1900 KB R602C9H19OO=R1046C9H18OOH 9.9E+0007 1.000 22000.0 ! IS 1901 KB R602C9H19OO=R1047C9H18OOH 1.7E+0007 1.000 21000.0 ! IS 1902 KB R602C9H19OO=R1048C9H18OOH 1.7E+0009 1.000 29500.0 ! IS 1903 KB R602C9H19OO=R1049C9H18OOH 1.7E+0009 1.000 28000.0 ! IS 1904 KB R603C5H11OO=R1050C5H10OOH 3.3E+0009 1.000 32500.0 ! IS 1905 KB R603C5H11OO=R1051C5H10OOH 2.9E+0008 1.000 22000.0 ! IS 1906 KB R603C5H11OO=R1052C5H10OOH 3.0E+0008 1.000 25000.0 ! IS 1907 KB R605C9H18OOH=R607C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1908 KB R605C9H18OOH=R608C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 1909 KB R605C9H18OOH=R609C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 1910 KB R605C9H18OOH=R1055C9H18OOH 1.5E+0006 1.000 18900.0 ! IS 1911 KB R606C9H18OOH=R609C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 1912 KB R606C9H18OOH=R1055C9H18OOH 4.9E+0007 1.000 10000.0 ! IS 1913 KB R606C9H18OOH=R1057C9H18OOH 5.1E+0007 1.000 19900.0 ! IS 1914 KB R607C9H18OOH=R1055C9H18OOH 2.9E+0008 1.000 15300.0 ! IS 1915 KB R607C9H18OOH=R1057C9H18OOH 3.0E+0008 1.000 14500.0 ! IS 1916 KB R608C9H18OOH=R1060C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 1917 KB R608C9H18OOH=R1057C9H18OOH 1.7E+0009 1.000 19800.0 ! IS 1918 KB R609C9H18OOH=R1060C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 1919 KB R610C6H13OO=R1062C6H12OOH 3.3E+0009 1.000 32500.0 ! IS 1920 KB R610C6H13OO=R1063C6H12OOH 5.7E+0008 1.000 25000.0 ! IS 1921 KB R610C6H13OO=R1064C6H12OOH 4.9E+0007 1.000 19000.0 ! IS 1922 KB R610C6H13OO=R1065C6H12OOH 5.1E+0007 1.000 24000.0 ! IS 1923 KB R612C6H13=R1068C6H13 5.7E+0008 1.000 17300.0 ! IS 1924 KB R628C7H12OOHZ=R1075C7H12OOHX 5.7E+0008 1.000 12800.0 ! IS 1925 KB R629C7H12OOHZ=R631C7H12OOHZ 5.7E+0008 1.000 17300.0 ! IS 1926 KB R629C7H12OOHZ=R632C7H12OOHX 9.9E+0007 1.000 7500.0 ! IS 1927 KB R629C7H12OOHZ=R633C7H12OOHV 8.5E+0006 1.000 19200.0 ! IS 1928 KB !R629C7H12OOHZ=R1077C7H12OOHV 1.7E+0007 1.000 14800.0 ! IS 1929 KB ! Attention R630C7H12OOHZ=R633C7H12OOHV 2.9E+0008 1.000 19100.0 ! IS 1930 KB !R630C7H12OOHZ=R1077C7H12OOHV 5.7E+0008 1.000 16200.0 ! IS 1931 KB ! Attention !R631C7H12OOHZ=R1077C7H12OOHV 3.3E+0009 1.000 20700.0 ! IS 1932 KB ! Attention R632C7H12OOHX=R1082C7H12OOHZ 2.9E+0008 1.000 23300.0 ! IS 1933 KB R633C7H12OOHV=R1082C7H12OOHZ 4.9E+0007 1.000 8000.0 ! IS 1934 KB R634C7H12OOHZ=R637C7H12OOHX 5.7E+0008 1.000 12800.0 ! IS 1935 KB R634C7H12OOHZ=R638C7H12OOHV 4.9E+0007 1.000 13800.0 ! IS 1936 KB !R634C7H12OOHZ=R639C7H12OOHV 9.9E+0007 1.000 20200.0 ! IS 1937 KB ! Attention R635C7H12OOHZ=R636C7H12OOHZ 5.7E+0008 1.000 17300.0 ! IS 1938 KB R635C7H12OOHZ=R637C7H12OOHX 9.9E+0007 1.000 7500.0 ! IS 1939 KB R635C7H12OOHZ=R638C7H12OOHV 8.5E+0006 1.000 19200.0 ! IS 1940 KB !R635C7H12OOHZ=R639C7H12OOHV 1.7E+0007 1.000 14800.0 ! IS 1941 KB ! Attention !R636C7H12OOHZ=R639C7H12OOHV 3.3E+0009 1.000 20700.0 ! IS 1942 KB ! Attention R638C7H12OOHV=R1088C7H12OOHZ 2.9E+0008 1.000 13300.0 ! IS 1943 KB !R639C7H12OOHV=R1088C7H12OOHZ 2.9E+0008 1.000 8400.0 ! IS 1944 KB ! Attention !R647C6H10OOHZ=R650C6H10OOHV 3.3E+0009 1.000 20700.0 ! IS 1945 KB ! Attention R649C6H10OOHV=R1096C6H10OOHZ 2.9E+0008 1.000 13300.0 ! IS 1946 KB !R650C6H10OOHV=R1096C6H10OOHZ 2.9E+0008 1.000 8400.0 ! IS 1947 KB ! Attention R651C6H10OOHZ=R653C6H10OOHV 2.9E+0008 1.000 19100.0 ! IS 1948 KB !R651C6H10OOHZ=R654C6H10OOHV 5.7E+0008 1.000 16200.0 ! IS 1949 KB ! Attention !R654C6H10OOHV=R1100C6H10OOHZ 1.7E+0009 1.000 12900.0 ! IS 1950 KB ! Attention !R658C5H8OOHV=R1103C5H8OOHZ 1.7E+0009 1.000 12900.0 ! IS 1951 KB ! Attention R668C6H12CHOOO=R1105C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 1952 KB R668C6H12CHOOO=R669C6H11CHOOOH 5.7E+0008 1.000 25000.0 ! IS 1953 KB R668C6H12CHOOO=R670C6H11CHOOOH 9.9E+0007 1.000 22000.0 ! IS 1954 KB R668C6H12CHOOO=R671C6H11CHOOOH 1.7E+0007 1.000 21000.0 ! IS 1955 KB R669C6H11CHOOOH=R672C6H11CHOOOH 8.6E+0008 1.000 19800.0 ! IS 1956 KB R670C6H11CHOOOH=R1108C6H11CHOOOH 2.9E+0008 1.000 13300.0 ! IS 1957 KB R671C6H11CHOOOH=R1105C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 1958 KB R671C6H11CHOOOH=R1108C6H11CHOOOH 4.9E+0007 1.000 8000.0 ! IS 1959 KB R672C6H11CHOOOH=R1105C6H11CHOOOH 9.9E+0007 1.000 12000.0 ! IS 1960 KB R672C6H11CHOOOH=R1108C6H11CHOOOH 8.5E+0006 1.000 13400.0 ! IS 1961 KB R679C4H7OOZ=R1114C4H6OOHV 1.7E+0009 1.000 36800.0 ! IS 1962 KB !R679C4H7OOZ=R680C4H6OOHV 3.3E+0009 1.000 33700.0 ! IS 1963 KB ! Attention R682C5H9OOZ=R683C5H8OOHV 1.7E+0009 1.000 36800.0 ! IS 1964 KB !R682C5H9OOZ=R684C5H8OOHV 3.3E+0009 1.000 33700.0 ! IS 1965 KB ! Attention R682C5H9OOZ=R1116C5H8OOHZ 3.3E+0009 1.000 32500.0 ! IS 1966 KB !R684C5H8OOHV=R1116C5H8OOHZ 3.3E+0009 1.000 16900.0 ! IS 1967 KB ! Attention R688C8H14OOHX=R1120C8H15OOZ 2.9E+0008 1.000 39000.0 ! IS 1968 KB !R689C5H8OOHZ=R1122C5H8OOHV 1.7E+0009 1.000 18700.0 ! IS 1969 KB ! Attention R706C6H12COOOH=R1126C6H11CHOOOH 5.7E+0008 1.000 23300.0 ! IS 1970 KB R706C6H12COOOH=R1127C6H11CHOOOH 9.9E+0007 1.000 18000.0 ! IS 1971 KB R706C6H12COOOH=R1128C6H11CHOOOH 1.7E+0007 1.000 23400.0 ! IS 1972 KB R706C6H12COOOH=R1129C6H11CHOOOH 2.9E+0006 1.000 24900.0 ! IS 1973 KB R708C6H12COOOH=R711C6H12COOOH 5.7E+0008 1.000 17300.0 ! IS 1974 KB R708C6H12COOOH=R1131C6H12COOOH 9.9E+0007 1.000 12000.0 ! IS 1975 KB R708C6H12COOOH=R1132C6H12COOOH 2.5E+0007 1.000 19900.0 ! IS 1976 KB R709C6H12COOOH=R1131C6H12COOOH 5.7E+0008 1.000 17300.0 ! IS 1977 KB R709C6H12COOOH=R1132C6H12COOOH 1.5E+0008 1.000 14500.0 ! IS 1978 KB R710C6H12COOOH=R1132C6H12COOOH 8.6E+0008 1.000 19800.0 ! IS 1979 KB R712C6H12CHOOO=R734C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 1980 KB R712C6H12CHOOO=R735C6H11CHOOOH 5.7E+0008 1.000 25000.0 ! IS 1981 KB R712C6H12CHOOO=R736C6H11CHOOOH 1.5E+0008 1.000 25000.0 ! IS 1982 KB R712C6H12CHOOO=R1137C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 1983 KB R712C6H12CHOOO=R1138C6H11CHOOOH 5.7E+0008 1.000 25000.0 ! IS 1984 KB R713C6H12CHOOO=R747C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 1985 KB R713C6H12CHOOO=R748C6H11CHOOOH 8.6E+0008 1.000 28000.0 ! IS 1986 KB R713C6H12CHOOO=R745C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 1987 KB R713C6H12CHOOO=R1139C6H11CHOOOH 5.7E+0008 1.000 25000.0 ! IS 1988 KB R713C6H12CHOOO=R1140C6H11CHOOOH 9.9E+0007 1.000 22000.0 ! IS 1989 KB R716C6H12CHOOO=R1142C6H11CHOOOH 5.0E+0009 1.000 35500.0 ! IS 1990 KB R716C6H12CHOOO=R1143C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 1991 KB R716C6H12CHOOO=R1144C6H11CHOOOH 5.7E+0008 1.000 25000.0 ! IS 1992 KB R716C6H12CHOOO=R1145C6H11CHOOOH 9.9E+0007 1.000 22000.0 ! IS 1993 KB R716C6H12CHOOO=R1146C6H11CHOOOH 1.7E+0007 1.000 21000.0 ! IS 1994 KB R718C3H6CHO=R1148C3H7CO 2.9E+0008 1.000 13300.0 ! IS 1995 KB R719C6H12CHOOO=R1128C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 1996 KB R719C6H12CHOOO=R1127C6H11CHOOOH 5.7E+0008 1.000 25000.0 ! IS 1997 KB R719C6H12CHOOO=R1126C6H11CHOOOH 9.9E+0007 1.000 22000.0 ! IS 1998 KB R719C6H12CHOOO=R1149C6H11CHOOOH 1.7E+0007 1.000 21000.0 ! IS 1999 KB R720C4H8CHO=R1151C4H8CHO 5.7E+0008 1.000 17300.0 ! IS 2000 KB R720C4H8CHO=R1152C4H9CO 4.9E+0007 1.000 8000.0 ! IS 2001 KB R722C6H12CHOOO=R1153C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2002 KB R722C6H12CHOOO=R723C6H11CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2003 KB R722C6H12CHOOO=R724C6H11CHOOOH 5.7E+0008 1.000 25000.0 ! IS 2004 KB R722C6H12CHOOO=R725C6H11CHOOOH 9.9E+0007 1.000 22000.0 ! IS 2005 KB R722C6H12CHOOO=R726C6H11CHOOOH 2.5E+0007 1.000 24000.0 ! IS 2006 KB R723C6H11CHOOOH=R726C6H11CHOOOH 8.6E+0008 1.000 19800.0 ! IS 2007 KB R724C6H11CHOOOH=R1153C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2008 KB R725C6H11CHOOOH=R1158C6H11CHOOOH 2.9E+0008 1.000 13300.0 ! IS 2009 KB R725C6H11CHOOOH=R1153C6H11CHOOOH 9.9E+0007 1.000 12000.0 ! IS 2010 KB R726C6H11CHOOOH=R1158C6H11CHOOOH 4.9E+0007 1.000 8000.0 ! IS 2011 KB R726C6H11CHOOOH=R1153C6H11CHOOOH 1.7E+0007 1.000 17400.0 ! IS 2012 KB R733C6H11CHOOOH=R736C6H11CHOOOH 8.6E+0008 1.000 25800.0 ! IS 2013 KB R734C6H11CHOOOH=R1138C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2014 KB R735C6H11CHOOOH=R1137C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2015 KB R735C6H11CHOOOH=R1138C6H11CHOOOH 9.9E+0007 1.000 12000.0 ! IS 2016 KB R736C6H11CHOOOH=R1137C6H11CHOOOH 9.9E+0007 1.000 12000.0 ! IS 2017 KB R736C6H11CHOOOH=R1138C6H11CHOOOH 1.7E+0007 1.000 17400.0 ! IS 2018 KB R740C4H9OO=R1168C4H8OOH 3.3E+0009 1.000 32500.0 ! IS 2019 KB R742C5H11OO=R743C5H10OOH 6.7E+0009 1.000 32500.0 ! IS 2020 KB R745C6H11CHOOOH=R748C6H11CHOOOH 8.6E+0008 1.000 19800.0 ! IS 2021 KB R746C6H11CHOOOH=R1140C6H11CHOOOH 5.7E+0008 1.000 23300.0 ! IS 2022 KB R747C6H11CHOOOH=R1139C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2023 KB R747C6H11CHOOOH=R1140C6H11CHOOOH 9.9E+0007 1.000 12000.0 ! IS 2024 KB R748C6H11CHOOOH=R1139C6H11CHOOOH 9.9E+0007 1.000 12000.0 ! IS 2025 KB R748C6H11CHOOOH=R1140C6H11CHOOOH 1.7E+0007 1.000 17400.0 ! IS 2026 KB R749C6H12COOOH=R1144C6H11CHOOOH 5.7E+0008 1.000 23300.0 ! IS 2027 KB R749C6H12COOOH=R1143C6H11CHOOOH 9.9E+0007 1.000 18000.0 ! IS 2028 KB R749C6H12COOOH=R1178C6H11CHOOOH 8.5E+0006 1.000 19400.0 ! IS 2029 KB R749C6H12COOOH=R1142C6H11CHOOOH 4.4E+0006 1.000 29400.0 ! IS 2030 KB R765C8H16OOH=R770C8H16OOH 8.5E+0006 1.000 13400.0 ! IS 2031 KB R777C5H9OHOOH=R1183C5H9OHOOH 2.9E+0008 1.000 13300.0 ! IS 2032 KB R840C5H10OHOO=R777C5H9OHOOH 1.5E+0008 1.000 25000.0 ! IS 2033 KB R777C5H9OHOOH=R1184C5H9OHOOH 9.9E+0007 1.000 10000.0 ! IS 2034 KB R779C6H11OHOOH=R1186C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2035 KB R779C6H11OHOOH=R1187C6H11OHOOH 4.9E+0007 1.000 8000.0 ! IS 2036 KB R856C6H12OHOO=R779C6H11OHOOH 2.5E+0007 1.000 24000.0 ! IS 2037 KB R779C6H11OHOOH=R1188C6H11OHOOH 1.7E+0007 1.000 15400.0 ! IS 2038 KB R782C3H6OHOO=R1189C3H5OHOOH 3.3E+0009 1.000 30500.0 ! IS 2039 KB R784C4H8OHOO=R785C4H7OHOOH 3.3E+0009 1.000 30500.0 ! IS 2040 KB R784C4H8OHOO=R1191C4H7OHOOH 3.3E+0009 1.000 32500.0 ! IS 2041 KB R788C5H9OHOOH=R838C5H9OHOOH 5.7E+0008 1.000 23300.0 ! IS 2042 KB R788C5H9OHOOH=R839C5H9OHOOH 9.9E+0007 1.000 16000.0 ! IS 2043 KB R1197C6H12OHOO=R791C6H11OHOOH 5.0E+0009 1.000 35500.0 ! IS 2044 KB R791C6H11OHOOH=R1198C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2045 KB R791C6H11OHOOH=R1199C6H11OHOOH 9.9E+0007 1.000 12000.0 ! IS 2046 KB R791C6H11OHOOH=R1200C6H11OHOOH 1.7E+0007 1.000 15400.0 ! IS 2047 KB R796C8H15OHOOH=R799C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2048 KB R796C8H15OHOOH=R1202C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2049 KB R796C8H15OHOOH=R1203C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 2050 KB R796C8H15OHOOH=R1204C8H15OHOOH 4.4E+0006 1.000 23400.0 ! IS 2051 KB R797C8H15OHOOH=R1202C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2052 KB R797C8H15OHOOH=R1203C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2053 KB R797C8H15OHOOH=R1204C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 2054 KB R798C8H15OHOOH=R1207C8H15OHOOH 2.9E+0008 1.000 12300.0 ! IS 2055 KB R798C8H15OHOOH=R1203C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2056 KB R798C8H15OHOOH=R1204C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 2057 KB R799C8H15OHOOH=R1204C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 2058 KB R799C8H15OHOOH=R1207C8H15OHOOH 4.9E+0007 1.000 7000.0 ! IS 2059 KB R803C8H15OHOOH=R809C8H15OHOOH 8.5E+0006 1.000 19400.0 ! IS 2060 KB R805C6H11OHOOH=R853C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2061 KB R805C6H11OHOOH=R854C6H11OHOOH 9.9E+0007 1.000 18000.0 ! IS 2062 KB R805C6H11OHOOH=R1214C6H11OHOOH 1.7E+0007 1.000 21400.0 ! IS 2063 KB R811C8H15OHOOH=R814C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2064 KB R811C8H15OHOOH=R815C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2065 KB R811C8H15OHOOH=R816C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 2066 KB R811C8H15OHOOH=R1217C8H15OHOOH 4.4E+0006 1.000 23400.0 ! IS 2067 KB R812C8H15OHOOH=R813C8H15OHOOH 5.7E+0008 1.000 23300.0 ! IS 2068 KB R812C8H15OHOOH=R814C8H15OHOOH 9.9E+0007 1.000 18000.0 ! IS 2069 KB R812C8H15OHOOH=R815C8H15OHOOH 1.7E+0007 1.000 23400.0 ! IS 2070 KB R812C8H15OHOOH=R816C8H15OHOOH 2.9E+0006 1.000 26900.0 ! IS 2071 KB R813C8H15OHOOH=R816C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2072 KB R813C8H15OHOOH=R1217C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 2073 KB R814C8H15OHOOH=R1217C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 2074 KB R815C8H15OHOOH=R1223C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 2075 KB R816C8H15OHOOH=R1223C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 2076 KB R819C4H7OHOOH=R1230C4H7OHOOH 5.7E+0008 1.000 21300.0 ! IS 2077 KB R820C4H8OHOO=R1231C4H7OHOOH 3.3E+0009 1.000 32500.0 ! IS 2078 KB R820C4H8OHOO=R1232C4H7OHOOH 5.7E+0008 1.000 25000.0 ! IS 2079 KB R820C4H8OHOO=R1233C4H7OHOOH 1.5E+0008 1.000 25000.0 ! IS 2080 KB R822C8H15OHOOH=R827C8H15OHOOH 8.5E+0006 1.000 13400.0 ! IS 2081 KB R824C8H15OHOOH=R827C8H15OHOOH 1.5E+0006 1.000 22900.0 ! IS 2082 KB R829C8H15OHOOH=R833C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2083 KB R829C8H15OHOOH=R834C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2084 KB R829C8H15OHOOH=R835C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 2085 KB R830C8H15OHOOH=R832C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2086 KB R830C8H15OHOOH=R833C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2087 KB R830C8H15OHOOH=R834C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 2088 KB R830C8H15OHOOH=R835C8H15OHOOH 4.4E+0006 1.000 23400.0 ! IS 2089 KB R831C8H15OHOOH=R1240C8H15OHOOH 2.9E+0008 1.000 19300.0 ! IS 2090 KB R831C8H15OHOOH=R832C8H15OHOOH 9.9E+0007 1.000 18000.0 ! IS 2091 KB R831C8H15OHOOH=R833C8H15OHOOH 1.7E+0007 1.000 23400.0 ! IS 2092 KB R831C8H15OHOOH=R834C8H15OHOOH 2.9E+0006 1.000 26900.0 ! IS 2093 KB R832C8H15OHOOH=R835C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 2094 KB R834C8H15OHOOH=R1240C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 2095 KB R835C8H15OHOOH=R1240C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 2096 KB R836C5H9OHOOH=R839C5H9OHOOH 5.7E+0008 1.000 15300.0 ! IS 2097 KB R840C5H10OHOO=R1184C5H9OHOOH 3.3E+0009 1.000 30500.0 ! IS 2098 KB R840C5H10OHOO=R1251C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 2099 KB R840C5H10OHOO=R1252C5H9OHOOH 5.7E+0008 1.000 25000.0 ! IS 2100 KB R841C5H10OHOO=R1253C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 2101 KB R841C5H10OHOO=R1254C5H9OHOOH 5.7E+0008 1.000 25000.0 ! IS 2102 KB R841C5H10OHOO=R1255C5H9OHOOH 9.9E+0007 1.000 22000.0 ! IS 2103 KB R841C5H10OHOO=R1256C5H9OHOOH 2.5E+0007 1.000 24000.0 ! IS 2104 KB R844C8H15OHOOH=R849C8H15OHOOH 1.7E+0007 1.000 15400.0 ! IS 2105 KB R845C8H15OHOOH=R849C8H15OHOOH 2.9E+0006 1.000 18900.0 ! IS 2106 KB R851C6H11OHOOH=R854C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2107 KB R851C6H11OHOOH=R1214C6H11OHOOH 9.9E+0007 1.000 10000.0 ! IS 2108 KB R852C6H11OHOOH=R1214C6H11OHOOH 5.7E+0008 1.000 15300.0 ! IS 2109 KB R855C6H12OHOO=R1266C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2110 KB R855C6H12OHOO=R1267C6H11OHOOH 5.7E+0008 1.000 23000.0 ! IS 2111 KB R855C6H12OHOO=R1268C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2112 KB R855C6H12OHOO=R1269C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2113 KB R855C6H12OHOO=R1270C6H11OHOOH 1.5E+0008 1.000 25000.0 ! IS 2114 KB R856C6H12OHOO=R1188C6H11OHOOH 3.3E+0009 1.000 30500.0 ! IS 2115 KB R856C6H12OHOO=R1186C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2116 KB R856C6H12OHOO=R1271C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2117 KB R856C6H12OHOO=R1272C6H11OHOOH 9.9E+0007 1.000 22000.0 ! IS 2118 KB R858C6H12OHOO=R1273C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2119 KB R858C6H12OHOO=R1274C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2120 KB R858C6H12OHOO=R1275C6H11OHOOH 9.9E+0007 1.000 22000.0 ! IS 2121 KB R858C6H12OHOO=R1276C6H11OHOOH 1.7E+0007 1.000 21000.0 ! IS 2122 KB R861C4H7OHOOH=R1279C4H7OHOOH 5.7E+0008 1.000 15300.0 ! IS 2123 KB R921C4H8OHOO=R861C4H7OHOOH 1.5E+0008 1.000 25000.0 ! IS 2124 KB R863C5H9OHOOH=R1281C5H9OHOOH 2.9E+0008 1.000 13300.0 ! IS 2125 KB R863C5H9OHOOH=R1282C5H9OHOOH 9.9E+0007 1.000 10000.0 ! IS 2126 KB R935C5H10OHOO=R863C5H9OHOOH 2.5E+0007 1.000 24000.0 ! IS 2127 KB R865C6H11OHOOH=R1284C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2128 KB R865C6H11OHOOH=R1285C6H11OHOOH 4.9E+0007 1.000 8000.0 ! IS 2129 KB R865C6H11OHOOH=R1286C6H11OHOOH 1.7E+0007 1.000 15400.0 ! IS 2130 KB R874C4H7OHOOH=R920C4H7OHOOH 8.6E+0008 1.000 25800.0 ! IS 2131 KB R1290C5H10OHOO=R876C5H9OHOOH 5.0E+0009 1.000 35500.0 ! IS 2132 KB R876C5H9OHOOH=R1291C5H9OHOOH 2.9E+0008 1.000 13300.0 ! IS 2133 KB R876C5H9OHOOH=R1292C5H9OHOOH 1.5E+0008 1.000 14500.0 ! IS 2134 KB R1294C6H12OHOO=R878C6H11OHOOH 8.6E+0008 1.000 28000.0 ! IS 2135 KB R878C6H11OHOOH=R1295C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2136 KB R878C6H11OHOOH=R1296C6H11OHOOH 4.9E+0007 1.000 8000.0 ! IS 2137 KB R878C6H11OHOOH=R1297C6H11OHOOH 2.5E+0007 1.000 19900.0 ! IS 2138 KB R879C8H15OHOOH=R882C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2139 KB R879C8H15OHOOH=R1299C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2140 KB R879C8H15OHOOH=R1300C8H15OHOOH 8.5E+0006 1.000 13400.0 ! IS 2141 KB R879C8H15OHOOH=R1301C8H15OHOOH 4.4E+0006 1.000 23400.0 ! IS 2142 KB R880C8H15OHOOH=R1299C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2143 KB R880C8H15OHOOH=R1300C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 2144 KB R880C8H15OHOOH=R1301C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 2145 KB R881C8H15OHOOH=R1304C8H15OHOOH 5.7E+0008 1.000 15300.0 ! IS 2146 KB R881C8H15OHOOH=R1300C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 2147 KB R881C8H15OHOOH=R1301C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 2148 KB R882C8H15OHOOH=R1301C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 2149 KB R882C8H15OHOOH=R1304C8H15OHOOH 9.9E+0007 1.000 10000.0 ! IS 2150 KB R883C6H12OHOO=R1306C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2151 KB R883C6H12OHOO=R1307C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2152 KB R883C6H12OHOO=R1308C6H11OHOOH 9.9E+0007 1.000 22000.0 ! IS 2153 KB R883C6H12OHOO=R1309C6H11OHOOH 8.5E+0006 1.000 16000.0 ! IS 2154 KB R885C6H12OH=R1312C6H12OH 5.7E+0008 1.000 23300.0 ! IS 2155 KB R886C6H12OH=R1314C6H12OH 5.7E+0008 1.000 17300.0 ! IS 2156 KB R886C6H12OH=R1312C6H12OH 9.9E+0007 1.000 12000.0 ! IS 2157 KB R889C5H9OHOOH=R932C5H9OHOOH 2.9E+0008 1.000 19300.0 ! IS 2158 KB R889C5H9OHOOH=R933C5H9OHOOH 1.5E+0008 1.000 20500.0 ! IS 2159 KB R1318C6H12OHOO=R892C6H11OHOOH 5.0E+0009 1.000 35500.0 ! IS 2160 KB R892C6H11OHOOH=R1319C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2161 KB R892C6H11OHOOH=R1320C6H11OHOOH 4.9E+0007 1.000 8000.0 ! IS 2162 KB R892C6H11OHOOH=R1321C6H11OHOOH 2.5E+0007 1.000 19900.0 ! IS 2163 KB R897C8H15OHOOH=R899C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2164 KB R897C8H15OHOOH=R900C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2165 KB R897C8H15OHOOH=R901C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 2166 KB R897C8H15OHOOH=R1323C8H15OHOOH 2.9E+0006 1.000 20900.0 ! IS 2167 KB R898C8H15OHOOH=R901C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2168 KB R898C8H15OHOOH=R1323C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2169 KB R898C8H15OHOOH=R1325C8H15OHOOH 2.5E+0007 1.000 19900.0 ! IS 2170 KB R899C8H15OHOOH=R1323C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2171 KB R899C8H15OHOOH=R1325C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 2172 KB R900C8H15OHOOH=R1325C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 2173 KB R904C8H15OHOOH=R910C8H15OHOOH 8.5E+0006 1.000 13400.0 ! IS 2174 KB R906C6H11OHOOH=R1308C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2175 KB R906C6H11OHOOH=R1309C6H11OHOOH 4.9E+0007 1.000 14000.0 ! IS 2176 KB R906C6H11OHOOH=R1334C6H11OHOOH 2.5E+0007 1.000 25900.0 ! IS 2177 KB R912C8H15OHOOH=R915C8H15OHOOH 5.7E+0008 1.000 23300.0 ! IS 2178 KB R912C8H15OHOOH=R916C8H15OHOOH 9.9E+0007 1.000 18000.0 ! IS 2179 KB R912C8H15OHOOH=R917C8H15OHOOH 1.7E+0007 1.000 23400.0 ! IS 2180 KB R912C8H15OHOOH=R1337C8H15OHOOH 4.4E+0006 1.000 29400.0 ! IS 2181 KB R913C8H15OHOOH=R914C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2182 KB R913C8H15OHOOH=R915C8H15OHOOH 9.9E+0007 1.000 12000.0 ! IS 2183 KB R913C8H15OHOOH=R916C8H15OHOOH 1.7E+0007 1.000 17400.0 ! IS 2184 KB R913C8H15OHOOH=R917C8H15OHOOH 2.9E+0006 1.000 20900.0 ! IS 2185 KB R914C8H15OHOOH=R917C8H15OHOOH 5.7E+0008 1.000 17300.0 ! IS 2186 KB R914C8H15OHOOH=R1337C8H15OHOOH 1.5E+0008 1.000 14500.0 ! IS 2187 KB R915C8H15OHOOH=R1337C8H15OHOOH 8.6E+0008 1.000 19800.0 ! IS 2188 KB R916C8H15OHOOH=R1343C8H15OHOOH 2.9E+0008 1.000 13300.0 ! IS 2189 KB R917C8H15OHOOH=R1343C8H15OHOOH 4.9E+0007 1.000 8000.0 ! IS 2190 KB R921C4H8OHOO=R1350C4H7OHOOH 1.7E+0009 1.000 27500.0 ! IS 2191 KB R921C4H8OHOO=R1351C4H7OHOOH 5.7E+0008 1.000 25000.0 ! IS 2192 KB R923C8H15OHOOH=R928C8H15OHOOH 8.5E+0006 1.000 19400.0 ! IS 2193 KB R925C8H15OHOOH=R928C8H15OHOOH 1.5E+0006 1.000 16900.0 ! IS 2194 KB R930C5H9OHOOH=R933C5H9OHOOH 8.6E+0008 1.000 19800.0 ! IS 2195 KB R934C5H10OHOO=R1359C5H9OHOOH 5.0E+0009 1.000 35500.0 ! IS 2196 KB R934C5H10OHOO=R1360C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 2197 KB R934C5H10OHOO=R1361C5H9OHOOH 5.7E+0008 1.000 25000.0 ! IS 2198 KB R934C5H10OHOO=R1362C5H9OHOOH 1.5E+0008 1.000 25000.0 ! IS 2199 KB R935C5H10OHOO=R1281C5H9OHOOH 1.7E+0009 1.000 27500.0 ! IS 2200 KB R935C5H10OHOO=R1363C5H9OHOOH 5.7E+0008 1.000 25000.0 ! IS 2201 KB R935C5H10OHOO=R1364C5H9OHOOH 9.9E+0007 1.000 22000.0 ! IS 2202 KB R952C7H14OOH=R956C7H14OOH 8.5E+0006 1.000 13400.0 ! IS 2203 KB R962C9H18OOH=R965C9H18OOH 8.5E+0006 1.000 13400.0 ! IS 2204 KB R971C9H18OOH=R977C9H18OOH 8.5E+0006 1.000 13400.0 ! IS 2205 KB R973C9H18OOH=R977C9H18OOH 1.5E+0006 1.000 16900.0 ! IS 2206 KB R979C9H18OOH=R982C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 2207 KB R979C9H18OOH=R980C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 2208 KB R979C9H18OOH=R981C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 2209 KB R980C9H18OOH=R981C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 2210 KB R980C9H18OOH=R982C9H18OOH 4.4E+0006 1.000 23400.0 ! IS 2211 KB R981C9H18OOH=R1378C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 2212 KB R982C9H18OOH=R1378C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 2213 KB R984C9H18OOH=R988C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 2214 KB R984C9H18OOH=R990C9H18OOH 1.7E+0007 1.000 15400.0 ! IS 2215 KB R985C9H18OOH=R990C9H18OOH 2.9E+0006 1.000 18900.0 ! IS 2216 KB R993C5H10OOH=R1386C5H10OOH 8.6E+0008 1.000 19800.0 ! IS 2217 KB R993C5H10OOH=R1387C5H10OOH 5.7E+0008 1.000 15300.0 ! IS 2218 KB R1053C5H11OO=R993C5H10OOH 1.5E+0008 1.000 25000.0 ! IS 2219 KB R995C6H12OOH=R1389C6H12OOH 2.9E+0008 1.000 15300.0 ! IS 2220 KB R995C6H12OOH=R1390C6H12OOH 1.5E+0008 1.000 14500.0 ! IS 2221 KB R995C6H12OOH=R1391C6H12OOH 9.9E+0007 1.000 10000.0 ! IS 2222 KB R1067C6H13OO=R995C6H12OOH 2.5E+0007 1.000 24000.0 ! IS 2223 KB R997C7H14OOH=R1393C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 2224 KB R997C7H14OOH=R1394C7H14OOH 4.9E+0007 1.000 10000.0 ! IS 2225 KB R997C7H14OOH=R1395C7H14OOH 2.5E+0007 1.000 19900.0 ! IS 2226 KB R997C7H14OOH=R1396C7H14OOH 1.7E+0007 1.000 15400.0 ! IS 2227 KB R1002C5H10OOH=R1052C5H10OOH 1.7E+0009 1.000 25800.0 ! IS 2228 KB R1400C6H13OO=R1005C6H12OOH 5.0E+0009 1.000 35500.0 ! IS 2229 KB R1005C6H12OOH=R1401C6H12OOH 2.9E+0008 1.000 15300.0 ! IS 2230 KB R1005C6H12OOH=R1402C6H12OOH 3.0E+0008 1.000 14500.0 ! IS 2231 KB R1404C7H15OO=R1007C7H14OOH 8.6E+0008 1.000 28000.0 ! IS 2232 KB R1007C7H14OOH=R1405C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 2233 KB R1007C7H14OOH=R1406C7H14OOH 4.9E+0007 1.000 10000.0 ! IS 2234 KB R1007C7H14OOH=R1407C7H14OOH 5.1E+0007 1.000 19900.0 ! IS 2235 KB R1011C9H18OOH=R1014C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 2236 KB R1011C9H18OOH=R1409C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 2237 KB R1011C9H18OOH=R1410C9H18OOH 8.5E+0006 1.000 15400.0 ! IS 2238 KB R1011C9H18OOH=R1411C9H18OOH 8.7E+0006 1.000 23400.0 ! IS 2239 KB R1012C9H18OOH=R1409C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 2240 KB R1012C9H18OOH=R1410C9H18OOH 4.9E+0007 1.000 10000.0 ! IS 2241 KB R1012C9H18OOH=R1411C9H18OOH 5.1E+0007 1.000 19900.0 ! IS 2242 KB R1013C9H18OOH=R1414C9H18OOH 5.7E+0008 1.000 15300.0 ! IS 2243 KB R1013C9H18OOH=R1410C9H18OOH 2.9E+0008 1.000 15300.0 ! IS 2244 KB R1013C9H18OOH=R1411C9H18OOH 3.0E+0008 1.000 14500.0 ! IS 2245 KB R1014C9H18OOH=R1414C9H18OOH 9.9E+0007 1.000 10000.0 ! IS 2246 KB R1014C9H18OOH=R1411C9H18OOH 1.7E+0009 1.000 19800.0 ! IS 2247 KB R1015C7H15OO=R1416C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 2248 KB R1015C7H15OO=R1417C7H14OOH 5.7E+0008 1.000 25000.0 ! IS 2249 KB R1015C7H15OO=R1418C7H14OOH 9.9E+0007 1.000 22000.0 ! IS 2250 KB R1015C7H15OO=R1419C7H14OOH 8.5E+0006 1.000 18000.0 ! IS 2251 KB R1017C7H15=R1422C7H15 5.7E+0008 1.000 17300.0 ! IS 2252 KB R1018C7H15=R1424C7H15 5.7E+0008 1.000 17300.0 ! IS 2253 KB R1018C7H15=R1422C7H15 9.9E+0007 1.000 12000.0 ! IS 2254 KB R1021C6H12OOH=R1064C6H12OOH 2.9E+0008 1.000 21300.0 ! IS 2255 KB R1021C6H12OOH=R1065C6H12OOH 3.0E+0008 1.000 20500.0 ! IS 2256 KB R1428C7H15OO=R1024C7H14OOH 5.0E+0009 1.000 35500.0 ! IS 2257 KB R1024C7H14OOH=R1429C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 2258 KB R1024C7H14OOH=R1430C7H14OOH 4.9E+0007 1.000 10000.0 ! IS 2259 KB R1024C7H14OOH=R1431C7H14OOH 5.1E+0007 1.000 19900.0 ! IS 2260 KB R1029C9H18OOH=R1031C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 2261 KB R1029C9H18OOH=R1032C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 2262 KB R1029C9H18OOH=R1033C9H18OOH 1.7E+0007 1.000 17400.0 ! IS 2263 KB R1029C9H18OOH=R1433C9H18OOH 2.9E+0006 1.000 20900.0 ! IS 2264 KB R1030C9H18OOH=R1033C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 2265 KB R1030C9H18OOH=R1433C9H18OOH 9.9E+0007 1.000 12000.0 ! IS 2266 KB R1030C9H18OOH=R1435C9H18OOH 2.5E+0007 1.000 19900.0 ! IS 2267 KB R1031C9H18OOH=R1433C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 2268 KB R1031C9H18OOH=R1435C9H18OOH 1.5E+0008 1.000 14500.0 ! IS 2269 KB R1032C9H18OOH=R1435C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 2270 KB R1036C9H18OOH=R1042C9H18OOH 8.5E+0006 1.000 13400.0 ! IS 2271 KB R1038C7H14OOH=R1418C7H14OOH 5.7E+0008 1.000 23300.0 ! IS 2272 KB R1038C7H14OOH=R1419C7H14OOH 4.9E+0007 1.000 16000.0 ! IS 2273 KB R1038C7H14OOH=R1445C7H14OOH 5.1E+0007 1.000 25900.0 ! IS 2274 KB R1044C9H18OOH=R1047C9H18OOH 5.7E+0008 1.000 17300.0 ! IS 2275 KB R1044C9H18OOH=R1448C9H18OOH 1.5E+0008 1.000 14500.0 ! IS 2276 KB R1044C9H18OOH=R1049C9H18OOH 1.7E+0009 1.000 19800.0 ! IS 2277 KB R1045C9H18OOH=R1448C9H18OOH 8.6E+0008 1.000 19800.0 ! IS 2278 KB R1045C9H18OOH=R1048C9H18OOH 2.9E+0008 1.000 15300.0 ! IS 2279 KB R1045C9H18OOH=R1049C9H18OOH 3.0E+0008 1.000 14500.0 ! IS 2280 KB R1046C9H18OOH=R1452C9H18OOH 2.9E+0008 1.000 13300.0 ! IS 2281 KB R1046C9H18OOH=R1048C9H18OOH 4.9E+0007 1.000 10000.0 ! IS 2282 KB R1046C9H18OOH=R1049C9H18OOH 5.1E+0007 1.000 19900.0 ! IS 2283 KB R1047C9H18OOH=R1452C9H18OOH 4.9E+0007 1.000 8000.0 ! IS 2284 KB R1047C9H18OOH=R1048C9H18OOH 8.5E+0006 1.000 15400.0 ! IS 2285 KB R1047C9H18OOH=R1049C9H18OOH 8.7E+0006 1.000 23400.0 ! IS 2286 KB R1048C9H18OOH=R1448C9H18OOH 4.4E+0006 1.000 23400.0 ! IS 2287 KB R1053C5H11OO=R1461C5H10OOH 1.7E+0009 1.000 29500.0 ! IS 2288 KB R1053C5H11OO=R1386C5H10OOH 8.6E+0008 1.000 28000.0 ! IS 2289 KB R1053C5H11OO=R1462C5H10OOH 5.7E+0008 1.000 25000.0 ! IS 2290 KB R1055C9H18OOH=R1060C9H18OOH 8.5E+0006 1.000 13400.0 ! IS 2291 KB R1057C9H18OOH=R1060C9H18OOH 1.5E+0006 1.000 16900.0 ! IS 2292 KB R1062C6H12OOH=R1065C6H12OOH 1.7E+0009 1.000 19800.0 ! IS 2293 KB R1066C6H13OO=R1470C6H12OOH 1.0E+0010 1.000 35500.0 ! IS 2294 KB R1066C6H13OO=R1471C6H12OOH 3.3E+0009 1.000 32500.0 ! IS 2295 KB R1066C6H13OO=R1472C6H12OOH 5.7E+0008 1.000 25000.0 ! IS 2296 KB R1066C6H13OO=R1473C6H12OOH 1.5E+0008 1.000 25000.0 ! IS 2297 KB R1067C6H13OO=R1389C6H12OOH 1.7E+0009 1.000 29500.0 ! IS 2298 KB R1067C6H13OO=R1390C6H12OOH 8.6E+0008 1.000 28000.0 ! IS 2299 KB R1067C6H13OO=R1474C6H12OOH 5.7E+0008 1.000 25000.0 ! IS 2300 KB R1067C6H13OO=R1475C6H12OOH 9.9E+0007 1.000 22000.0 ! IS 2301 KB R1075C7H12OOHX=R1478C7H13OOZ 2.9E+0008 1.000 39000.0 ! IS 2302 KB !R1077C7H12OOHV=R1082C7H12OOHZ 4.9E+0007 1.000 12400.0 ! IS 2303 KB ! Attention R1487C2H4CHOOO=R1109C2H3CHOOOH 5.0E+0009 1.000 35500.0 ! IS 2304 KB R1489C3H6CHOOO=R1111C3H5CHOOOH 8.6E+0008 1.000 28000.0 ! IS 2305 KB R1111C3H5CHOOOH=R1490C3H6COOOH 2.9E+0008 1.000 13300.0 ! IS 2306 KB R1113C4H7CHOOOH=R1492C4H7CHOOOH 2.9E+0008 1.000 13300.0 ! IS 2307 KB R1493C4H8CHOOO=R1113C4H7CHOOOH 1.5E+0008 1.000 25000.0 ! IS 2308 KB R1113C4H7CHOOOH=R1494C4H8COOOH 4.9E+0007 1.000 8000.0 ! IS 2309 KB !R1117C5H9X=R1498C5H9Y 3.3E+0009 1.000 21400.0 ! IS 2310 KB ! Attention R1120C8H15OOZ=R1499C8H14OOHV 2.9E+0008 1.000 29300.0 ! IS 2311 KB !R1120C8H15OOZ=R1500C8H14OOHV 2.9E+0008 1.000 25300.0 ! IS 2312 KB ! Attention R1122C5H8OOHV=R1497C5H9OOZ 2.9E+0008 1.000 29000.0 ! IS 2313 KB R1126C6H11CHOOOH=R1129C6H11CHOOOH 9.9E+0007 1.000 15300.0 ! IS 2314 KB R1127C6H11CHOOOH=R1504C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2315 KB R1128C6H11CHOOOH=R1149C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2316 KB R1128C6H11CHOOOH=R1504C6H11CHOOOH 9.9E+0007 1.000 12000.0 ! IS 2317 KB R1129C6H11CHOOOH=R1149C6H11CHOOOH 9.9E+0007 1.000 18000.0 ! IS 2318 KB R1129C6H11CHOOOH=R1504C6H11CHOOOH 1.7E+0007 1.000 23400.0 ! IS 2319 KB R1512C2H5COOO=R1136C2H4COOOH 8.6E+0008 1.000 28000.0 ! IS 2320 KB R1141C2H4CHOOO=R1517C2H3CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2321 KB R1141C2H4CHOOO=R1518C2H4COOOH 2.9E+0008 1.000 20000.0 ! IS 2322 KB R1142C6H11CHOOOH=R1144C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2323 KB R1142C6H11CHOOOH=R1145C6H11CHOOOH 9.9E+0007 1.000 12000.0 ! IS 2324 KB R1142C6H11CHOOOH=R1146C6H11CHOOOH 1.7E+0007 1.000 17400.0 ! IS 2325 KB R1143C6H11CHOOOH=R1146C6H11CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2326 KB R1145C6H11CHOOOH=R1178C6H11CHOOOH 2.9E+0008 1.000 13300.0 ! IS 2327 KB R1146C6H11CHOOOH=R1178C6H11CHOOOH 4.9E+0007 1.000 8000.0 ! IS 2328 KB R1147C3H6CHOOO=R1524C3H5CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2329 KB R1147C3H6CHOOO=R1525C3H5CHOOOH 5.7E+0008 1.000 25000.0 ! IS 2330 KB R1147C3H6CHOOO=R1526C3H6COOOH 4.9E+0007 1.000 17000.0 ! IS 2331 KB R1150C4H8CHOOO=R1529C4H7CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2332 KB R1150C4H8CHOOO=R1530C4H7CHOOOH 5.7E+0008 1.000 25000.0 ! IS 2333 KB R1150C4H8CHOOO=R1531C4H7CHOOOH 9.9E+0007 1.000 22000.0 ! IS 2334 KB R1150C4H8CHOOO=R1532C4H8COOOH 8.5E+0006 1.000 16000.0 ! IS 2335 KB R1152C4H9CO=R1534C4H8CHO 5.7E+0008 1.000 23300.0 ! IS 2336 KB R1539C3H6CHOOO=R1159C3H5CHOOOH 5.0E+0009 1.000 35500.0 ! IS 2337 KB R1159C3H5CHOOOH=R1540C3H6COOOH 2.9E+0008 1.000 13300.0 ! IS 2338 KB R1542C4H8CHOOO=R1161C4H7CHOOOH 8.6E+0008 1.000 28000.0 ! IS 2339 KB R1161C4H7CHOOOH=R1543C4H7CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2340 KB R1161C4H7CHOOOH=R1544C4H8COOOH 4.9E+0007 1.000 8000.0 ! IS 2341 KB R1165C3H5CHOOOH=R1526C3H6COOOH 2.9E+0008 1.000 19300.0 ! IS 2342 KB R1547C4H8CHOOO=R1167C4H7CHOOOH 5.0E+0009 1.000 35500.0 ! IS 2343 KB R1167C4H7CHOOOH=R1548C4H7CHOOOH 5.7E+0008 1.000 17300.0 ! IS 2344 KB R1167C4H7CHOOOH=R1549C4H8COOOH 4.9E+0007 1.000 8000.0 ! IS 2345 KB R1176C4H7CHOOOH=R1531C4H7CHOOOH 5.7E+0008 1.000 23300.0 ! IS 2346 KB R1176C4H7CHOOOH=R1532C4H8COOOH 4.9E+0007 1.000 14000.0 ! IS 2347 KB R1184C5H9OHOOH=R1252C5H9OHOOH 5.7E+0008 1.000 23300.0 ! IS 2348 KB R1187C6H11OHOOH=R1272C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2349 KB R1188C6H11OHOOH=R1271C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2350 KB R1188C6H11OHOOH=R1272C6H11OHOOH 9.9E+0007 1.000 18000.0 ! IS 2351 KB R1197C6H12OHOO=R1560C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2352 KB R1197C6H12OHOO=R1198C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2353 KB R1197C6H12OHOO=R1199C6H11OHOOH 9.9E+0007 1.000 22000.0 ! IS 2354 KB R1197C6H12OHOO=R1200C6H11OHOOH 1.7E+0007 1.000 19000.0 ! IS 2355 KB R1199C6H11OHOOH=R1563C6H11OHOOH 2.9E+0008 1.000 13300.0 ! IS 2356 KB R1200C6H11OHOOH=R1560C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2357 KB R1200C6H11OHOOH=R1563C6H11OHOOH 4.9E+0007 1.000 14000.0 ! IS 2358 KB R1202C8H15OHOOH=R1207C8H15OHOOH 8.5E+0006 1.000 12400.0 ! IS 2359 KB R1203C8H15OHOOH=R1207C8H15OHOOH 1.5E+0006 1.000 15900.0 ! IS 2360 KB R1571C3H6OHOO=R1209C3H5OHOOH 8.6E+0008 1.000 28000.0 ! IS 2361 KB R1217C8H15OHOOH=R1223C8H15OHOOH 8.5E+0006 1.000 13400.0 ! IS 2362 KB R1577C4H8OHOO=R1224C4H7OHOOH 5.0E+0009 1.000 35500.0 ! IS 2363 KB R1224C4H7OHOOH=R1578C4H7OHOOH 5.7E+0008 1.000 15300.0 ! IS 2364 KB R1580C5H10OHOO=R1226C5H9OHOOH 8.6E+0008 1.000 28000.0 ! IS 2365 KB R1226C5H9OHOOH=R1581C5H9OHOOH 5.7E+0008 1.000 17300.0 ! IS 2366 KB R1226C5H9OHOOH=R1582C5H9OHOOH 9.9E+0007 1.000 10000.0 ! IS 2367 KB R1233C4H7OHOOH=R1587C4H7OHOOH 2.9E+0008 1.000 12300.0 ! IS 2368 KB R1257C5H10OHOO=R1244C5H9OHOOH 5.0E+0009 1.000 35500.0 ! IS 2369 KB R1244C5H9OHOOH=R1590C5H9OHOOH 5.7E+0008 1.000 17300.0 ! IS 2370 KB R1244C5H9OHOOH=R1591C5H9OHOOH 9.9E+0007 1.000 10000.0 ! IS 2371 KB R1277C6H12OHOO=R1246C6H11OHOOH 8.6E+0008 1.000 28000.0 ! IS 2372 KB R1246C6H11OHOOH=R1593C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2373 KB R1246C6H11OHOOH=R1594C6H11OHOOH 9.9E+0007 1.000 12000.0 ! IS 2374 KB R1246C6H11OHOOH=R1595C6H11OHOOH 1.7E+0007 1.000 15400.0 ! IS 2375 KB R1253C5H9OHOOH=R1256C5H9OHOOH 8.6E+0008 1.000 19800.0 ! IS 2376 KB R1255C5H9OHOOH=R1601C5H9OHOOH 2.9E+0008 1.000 12300.0 ! IS 2377 KB R1256C5H9OHOOH=R1601C5H9OHOOH 4.9E+0007 1.000 7000.0 ! IS 2378 KB R1257C5H10OHOO=R1603C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 2379 KB R1257C5H10OHOO=R1590C5H9OHOOH 5.7E+0008 1.000 25000.0 ! IS 2380 KB R1257C5H10OHOO=R1591C5H9OHOOH 9.9E+0007 1.000 20000.0 ! IS 2381 KB R1266C6H11OHOOH=R1269C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2382 KB R1266C6H11OHOOH=R1270C6H11OHOOH 1.5E+0008 1.000 14500.0 ! IS 2383 KB R1267C6H11OHOOH=R1268C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2384 KB R1267C6H11OHOOH=R1269C6H11OHOOH 9.9E+0007 1.000 18000.0 ! IS 2385 KB R1267C6H11OHOOH=R1270C6H11OHOOH 2.5E+0007 1.000 25900.0 ! IS 2386 KB R1270C6H11OHOOH=R1609C6H11OHOOH 2.9E+0008 1.000 13300.0 ! IS 2387 KB R1273C6H11OHOOH=R1276C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2388 KB R1273C6H11OHOOH=R1568C6H11OHOOH 1.5E+0008 1.000 14500.0 ! IS 2389 KB R1274C6H11OHOOH=R1568C6H11OHOOH 8.6E+0008 1.000 19800.0 ! IS 2390 KB R1275C6H11OHOOH=R1615C6H11OHOOH 2.9E+0008 1.000 12300.0 ! IS 2391 KB R1276C6H11OHOOH=R1615C6H11OHOOH 4.9E+0007 1.000 7000.0 ! IS 2392 KB R1277C6H12OHOO=R1617C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2393 KB R1277C6H12OHOO=R1593C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2394 KB R1277C6H12OHOO=R1594C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2395 KB R1277C6H12OHOO=R1595C6H11OHOOH 9.9E+0007 1.000 20000.0 ! IS 2396 KB R1282C5H9OHOOH=R1364C5H9OHOOH 5.7E+0008 1.000 23300.0 ! IS 2397 KB R1313C6H12OHOO=R1284C6H11OHOOH 5.7E+0008 1.000 28000.0 ! IS 2398 KB R1313C6H12OHOO=R1285C6H11OHOOH 1.7E+0009 1.000 41500.0 ! IS 2399 KB R1285C6H11OHOOH=R1623C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2400 KB R1286C6H11OHOOH=R1625C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2401 KB R1286C6H11OHOOH=R1623C6H11OHOOH 9.9E+0007 1.000 18000.0 ! IS 2402 KB R1290C5H10OHOO=R1626C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 2403 KB R1290C5H10OHOO=R1291C5H9OHOOH 2.9E+0008 1.000 20000.0 ! IS 2404 KB R1290C5H10OHOO=R1292C5H9OHOOH 1.5E+0008 1.000 25000.0 ! IS 2405 KB R1292C5H9OHOOH=R1629C5H9OHOOH 2.9E+0008 1.000 13300.0 ! IS 2406 KB R1294C6H12OHOO=R1630C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2407 KB R1294C6H12OHOO=R1295C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2408 KB R1294C6H12OHOO=R1296C6H11OHOOH 2.9E+0008 1.000 20000.0 ! IS 2409 KB R1294C6H12OHOO=R1297C6H11OHOOH 1.5E+0008 1.000 25000.0 ! IS 2410 KB R1296C6H11OHOOH=R1630C6H11OHOOH 5.7E+0008 1.000 23300.0 ! IS 2411 KB R1297C6H11OHOOH=R1634C6H11OHOOH 2.9E+0008 1.000 13300.0 ! IS 2412 KB R1297C6H11OHOOH=R1630C6H11OHOOH 9.9E+0007 1.000 12000.0 ! IS 2413 KB R1299C8H15OHOOH=R1304C8H15OHOOH 1.7E+0007 1.000 15400.0 ! IS 2414 KB R1300C8H15OHOOH=R1304C8H15OHOOH 2.9E+0006 1.000 24900.0 ! IS 2415 KB R1306C6H11OHOOH=R1309C6H11OHOOH 2.9E+0008 1.000 13300.0 ! IS 2416 KB R1306C6H11OHOOH=R1334C6H11OHOOH 1.5E+0008 1.000 14500.0 ! IS 2417 KB R1307C6H11OHOOH=R1334C6H11OHOOH 8.6E+0008 1.000 19800.0 ! IS 2418 KB R1310C6H12OHOO=R1643C6H11OHOOH 1.7E+0009 1.000 27500.0 ! IS 2419 KB R1310C6H12OHOO=R1644C6H11OHOOH 8.6E+0008 1.000 28000.0 ! IS 2420 KB R1310C6H12OHOO=R1645C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2421 KB R1310C6H12OHOO=R1646C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2422 KB R1310C6H12OHOO=R1647C6H11OHOOH 1.5E+0008 1.000 25000.0 ! IS 2423 KB R1311C6H12OHOO=R1648C6H11OHOOH 5.0E+0009 1.000 35500.0 ! IS 2424 KB R1311C6H12OHOO=R1649C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2425 KB R1311C6H12OHOO=R1650C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2426 KB R1311C6H12OHOO=R1651C6H11OHOOH 9.9E+0007 1.000 22000.0 ! IS 2427 KB R1311C6H12OHOO=R1652C6H11OHOOH 2.5E+0007 1.000 24000.0 ! IS 2428 KB R1313C6H12OHOO=R1625C6H11OHOOH 9.9E+0007 1.000 22000.0 ! IS 2429 KB R1313C6H12OHOO=R1623C6H11OHOOH 1.7E+0007 1.000 21000.0 ! IS 2430 KB R1318C6H12OHOO=R1653C6H11OHOOH 3.3E+0009 1.000 32500.0 ! IS 2431 KB R1318C6H12OHOO=R1319C6H11OHOOH 5.7E+0008 1.000 25000.0 ! IS 2432 KB R1318C6H12OHOO=R1320C6H11OHOOH 4.9E+0007 1.000 17000.0 ! IS 2433 KB R1318C6H12OHOO=R1321C6H11OHOOH 2.5E+0007 1.000 24000.0 ! IS 2434 KB R1320C6H11OHOOH=R1656C6H11OHOOH 2.9E+0008 1.000 19300.0 ! IS 2435 KB R1321C6H11OHOOH=R1653C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2436 KB R1321C6H11OHOOH=R1656C6H11OHOOH 4.9E+0007 1.000 8000.0 ! IS 2437 KB R1661C3H6OHOO=R1328C3H5OHOOH 1.0E+0010 1.000 35500.0 ! IS 2438 KB R1663C4H8OHOO=R1330C4H7OHOOH 8.6E+0008 1.000 28000.0 ! IS 2439 KB R1330C4H7OHOOH=R1664C4H7OHOOH 8.6E+0008 1.000 19800.0 ! IS 2440 KB R1337C8H15OHOOH=R1343C8H15OHOOH 8.5E+0006 1.000 13400.0 ! IS 2441 KB R1670C4H8OHOO=R1344C4H7OHOOH 5.0E+0009 1.000 35500.0 ! IS 2442 KB R1670C4H8OHOO=R1828C4H7OHOOH 1.7E+0009 1.000 27500.0 ! IS 878 KB R1670C4H8OHOO=R1671C4H7OHOOH 8.6E+0008 1.000 28000.0 ! IS 879 KB R1344C4H7OHOOH=R1671C4H7OHOOH 8.6E+0008 1.000 19800.0 ! IS 2443 KB R1673C5H10OHOO=R1346C5H9OHOOH 8.6E+0008 1.000 28000.0 ! IS 2444 KB R1346C5H9OHOOH=R1674C5H9OHOOH 2.9E+0008 1.000 13300.0 ! IS 2445 KB R1346C5H9OHOOH=R1675C5H9OHOOH 1.5E+0008 1.000 14500.0 ! IS 2446 KB R1359C5H9OHOOH=R1361C5H9OHOOH 5.7E+0008 1.000 17300.0 ! IS 2447 KB R1359C5H9OHOOH=R1362C5H9OHOOH 1.5E+0008 1.000 14500.0 ! IS 2448 KB R1390C6H12OOH=R1475C6H12OOH 5.7E+0008 1.000 17300.0 ! IS 2449 KB R1391C6H12OOH=R1475C6H12OOH 5.7E+0008 1.000 23300.0 ! IS 2450 KB R1423C7H15OO=R1393C7H14OOH 5.7E+0008 1.000 28000.0 ! IS 2451 KB R1423C7H15OO=R1394C7H14OOH 1.7E+0009 1.000 35500.0 ! IS 2452 KB R1394C7H14OOH=R1692C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 2453 KB R1423C7H15OO=R1395C7H14OOH 8.6E+0008 1.000 28000.0 ! IS 2454 KB R1395C7H14OOH=R1694C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 2455 KB R1395C7H14OOH=R1692C7H14OOH 9.9E+0007 1.000 12000.0 ! IS 2456 KB R1396C7H14OOH=R1694C7H14OOH 5.7E+0008 1.000 23300.0 ! IS 2457 KB R1396C7H14OOH=R1692C7H14OOH 9.9E+0007 1.000 18000.0 ! IS 2458 KB R1400C6H13OO=R1696C6H12OOH 3.3E+0009 1.000 32500.0 ! IS 2459 KB R1400C6H13OO=R1401C6H12OOH 2.9E+0008 1.000 22000.0 ! IS 2460 KB R1400C6H13OO=R1402C6H12OOH 3.0E+0008 1.000 25000.0 ! IS 2461 KB R1402C6H12OOH=R1699C6H12OOH 2.9E+0008 1.000 13300.0 ! IS 2462 KB R1404C7H15OO=R1700C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 2463 KB R1404C7H15OO=R1405C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 2464 KB R1404C7H15OO=R1406C7H14OOH 2.9E+0008 1.000 22000.0 ! IS 2465 KB R1404C7H15OO=R1407C7H14OOH 3.0E+0008 1.000 25000.0 ! IS 2466 KB R1406C7H14OOH=R1700C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 2467 KB R1407C7H14OOH=R1704C7H14OOH 2.9E+0008 1.000 13300.0 ! IS 2468 KB R1407C7H14OOH=R1700C7H14OOH 9.9E+0007 1.000 12000.0 ! IS 2469 KB R1409C9H18OOH=R1414C9H18OOH 1.7E+0007 1.000 15400.0 ! IS 2470 KB R1410C9H18OOH=R1414C9H18OOH 2.9E+0006 1.000 18900.0 ! IS 2471 KB R1416C7H14OOH=R1419C7H14OOH 2.9E+0008 1.000 15300.0 ! IS 2472 KB R1416C7H14OOH=R1445C7H14OOH 3.0E+0008 1.000 14500.0 ! IS 2473 KB R1417C7H14OOH=R1445C7H14OOH 1.7E+0009 1.000 19800.0 ! IS 2474 KB R1420C7H15OO=R1713C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 2475 KB R1420C7H15OO=R1714C7H14OOH 5.7E+0008 1.000 25000.0 ! IS 2476 KB R1420C7H15OO=R1715C7H14OOH 1.5E+0008 1.000 25000.0 ! IS 2477 KB R1420C7H15OO=R1716C7H14OOH 1.7E+0009 1.000 29500.0 ! IS 2478 KB R1420C7H15OO=R1717C7H14OOH 1.7E+0009 1.000 28000.0 ! IS 2479 KB R1421C7H15OO=R1718C7H14OOH 1.0E+0010 1.000 35500.0 ! IS 2480 KB R1421C7H15OO=R1719C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 2481 KB R1421C7H15OO=R1720C7H14OOH 5.7E+0008 1.000 25000.0 ! IS 2482 KB R1421C7H15OO=R1721C7H14OOH 9.9E+0007 1.000 22000.0 ! IS 2483 KB R1421C7H15OO=R1722C7H14OOH 2.5E+0007 1.000 24000.0 ! IS 2484 KB R1423C7H15OO=R1694C7H14OOH 9.9E+0007 1.000 22000.0 ! IS 2485 KB R1423C7H15OO=R1692C7H14OOH 1.7E+0007 1.000 21000.0 ! IS 2486 KB R1428C7H15OO=R1723C7H14OOH 3.3E+0009 1.000 32500.0 ! IS 2487 KB R1428C7H15OO=R1429C7H14OOH 5.7E+0008 1.000 25000.0 ! IS 2488 KB R1428C7H15OO=R1430C7H14OOH 4.9E+0007 1.000 19000.0 ! IS 2489 KB R1428C7H15OO=R1431C7H14OOH 5.1E+0007 1.000 24000.0 ! IS 2490 KB R1430C7H14OOH=R1726C7H14OOH 2.9E+0008 1.000 13300.0 ! IS 2491 KB R1431C7H14OOH=R1723C7H14OOH 5.7E+0008 1.000 17300.0 ! IS 2492 KB R1431C7H14OOH=R1726C7H14OOH 4.9E+0007 1.000 8000.0 ! IS 2493 KB R1732C4H9OO=R1439C4H8OOH 1.5E+0010 1.000 35500.0 ! IS 2494 KB R1734C5H11OO=R1441C5H10OOH 8.6E+0008 1.000 28000.0 ! IS 2495 KB R1441C5H10OOH=R1735C5H10OOH 1.7E+0009 1.000 19800.0 ! IS 2496 KB R1448C9H18OOH=R1452C9H18OOH 8.5E+0006 1.000 13400.0 ! IS 2497 KB R1741C5H11OO=R1453C5H10OOH 5.0E+0009 1.000 35500.0 ! IS 2498 KB R1453C5H10OOH=R1742C5H10OOH 1.7E+0009 1.000 19800.0 ! IS 2499 KB R1744C6H13OO=R1455C6H12OOH 8.6E+0008 1.000 28000.0 ! IS 2500 KB R1455C6H12OOH=R1745C6H12OOH 2.9E+0008 1.000 15300.0 ! IS 2501 KB R1455C6H12OOH=R1746C6H12OOH 3.0E+0008 1.000 14500.0 ! IS 2502 KB R1470C6H12OOH=R1472C6H12OOH 5.7E+0008 1.000 17300.0 ! IS 2503 KB R1470C6H12OOH=R1473C6H12OOH 1.5E+0008 1.000 14500.0 ! IS 2504 KB R1478C7H13OOZ=R1755C7H12OOHV 2.9E+0008 1.000 29300.0 ! IS 2505 KB !R1478C7H13OOZ=R1756C7H12OOHV 2.9E+0008 1.000 25300.0 ! IS 2506 KB ! Attention R1487C2H4CHOOO=R1758C2H4COOOH 1.7E+0009 1.000 27500.0 ! IS 2507 KB R1489C3H6CHOOO=R1490C3H6COOOH 1.7E+0009 1.000 27500.0 ! IS 2508 KB R1489C3H6CHOOO=R1760C3H5CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2509 KB R1493C4H8CHOOO=R1494C4H8COOOH 1.7E+0009 1.000 27500.0 ! IS 2510 KB R1493C4H8CHOOO=R1764C4H7CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2511 KB R1493C4H8CHOOO=R1765C4H7CHOOOH 5.7E+0008 1.000 25000.0 ! IS 2512 KB R1494C4H8COOOH=R1765C4H7CHOOOH 5.7E+0008 1.000 23300.0 ! IS 2513 KB R1495C4H7OOZ=R1767C4H6OOHV 1.7E+0009 1.000 36800.0 ! IS 2514 KB !R1495C4H7OOZ=R1768C4H6OOHV 1.7E+0009 1.000 31200.0 ! IS 2515 KB ! Attention !R1497C5H9OOZ=R1769C5H8OOHV 1.7E+0009 1.000 31200.0 ! IS 2516 KB ! Attention !R1499C8H14OOHV=R1771C8H14OOHZ 3.3E+0009 1.000 16900.0 ! IS 2517 KB ! Attention !R1499C8H14OOHV=R1772C8H14OOHZ 5.7E+0008 1.000 12400.0 ! IS 2518 KB ! Attention !R1499C8H14OOHV=R1773C8H14OOHZ 1.5E+0008 1.000 18900.0 ! IS 2519 KB ! Attention !R1500C8H14OOHV=R1774C8H14OOHZ 3.3E+0009 1.000 14900.0 ! IS 2520 KB ! Attention R1500C8H14OOHV=R1772C8H14OOHZ 5.7E+0008 1.000 17300.0 ! IS 2521 KB R1500C8H14OOHV=R1773C8H14OOHZ 1.5E+0008 1.000 14500.0 ! IS 2522 KB !R1501C8H15Z=R1775C8H15V 1.7E+0009 1.000 18700.0 ! IS 2523 KB ! Attention R1527C3H7COOO=R1508C3H6COOOH 1.5E+0008 1.000 25000.0 ! IS 2524 KB R1510C4H8COOOH=R1779C4H8COOOH 5.7E+0008 1.000 17300.0 ! IS 2525 KB R1533C4H9COOO=R1510C4H8COOOH 2.5E+0007 1.000 24000.0 ! IS 2526 KB R1512C2H5COOO=R1780C2H4COOOH 3.3E+0009 1.000 32500.0 ! IS 2527 KB R1527C3H7COOO=R1787C3H6COOOH 3.3E+0009 1.000 32500.0 ! IS 2528 KB R1527C3H7COOO=R1788C3H6COOOH 5.7E+0008 1.000 25000.0 ! IS 2529 KB R1529C4H7CHOOOH=R1532C4H8COOOH 2.9E+0008 1.000 13300.0 ! IS 2530 KB R1533C4H9COOO=R1779C4H8COOOH 3.3E+0009 1.000 32500.0 ! IS 2531 KB R1533C4H9COOO=R1793C4H8COOOH 5.7E+0008 1.000 25000.0 ! IS 2532 KB R1533C4H9COOO=R1794C4H8COOOH 9.9E+0007 1.000 22000.0 ! IS 2533 KB R1539C3H6CHOOO=R1795C3H5CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2534 KB R1539C3H6CHOOO=R1540C3H6COOOH 2.9E+0008 1.000 20000.0 ! IS 2535 KB R1542C4H8CHOOO=R1798C4H7CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2536 KB R1542C4H8CHOOO=R1543C4H7CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2537 KB R1542C4H8CHOOO=R1544C4H8COOOH 2.9E+0008 1.000 20000.0 ! IS 2538 KB R1544C4H8COOOH=R1798C4H7CHOOOH 5.7E+0008 1.000 23300.0 ! IS 2539 KB R1547C4H8CHOOO=R1802C4H7CHOOOH 3.3E+0009 1.000 32500.0 ! IS 2540 KB R1547C4H8CHOOO=R1548C4H7CHOOOH 5.7E+0008 1.000 25000.0 ! IS 2541 KB R1547C4H8CHOOO=R1549C4H8COOOH 4.9E+0007 1.000 17000.0 ! IS 2542 KB R1549C4H8COOOH=R1805C4H7CHOOOH 2.9E+0008 1.000 19300.0 ! IS 2543 KB R1568C6H11OHOOH=R1615C6H11OHOOH 8.5E+0006 1.000 12400.0 ! IS 2544 KB R1571C3H6OHOO=R1809C3H5OHOOH 3.3E+0009 1.000 32500.0 ! IS 2545 KB R1577C4H8OHOO=R1811C4H7OHOOH 3.3E+0009 1.000 32500.0 ! IS 2546 KB R1577C4H8OHOO=R1578C4H7OHOOH 5.7E+0008 1.000 23000.0 ! IS 2547 KB R1580C5H10OHOO=R1814C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 2548 KB R1580C5H10OHOO=R1581C5H9OHOOH 3.3E+0009 1.000 32500.0 ! IS 2549 KB R1580C5H10OHOO=R1582C5H9OHOOH 5.7E+0008 1.000 23000.0 ! IS 2550 KB R1582C5H9OHOOH=R1814C5H9OHOOH 5.7E+0008 1.000 23300.0 ! IS 2551 KB R1591C5H9OHOOH=R1821C5H9OHOOH 2.9E+0008 1.000 19300.0 ! IS 2552 KB R1594C6H11OHOOH=R1617C6H11OHOOH 5.7E+0008 1.000 17300.0 ! IS 2553 KB R1595C6H11OHOOH=R1825C6H11OHOOH 2.9E+0008 1.000 19300.0 ! IS 2554 KB R1595C6H11OHOOH=R1617C6H11OHOOH 9.9E+0007 1.000 18000.0 ! IS 2555 KB !R76C8H16OHOO=>R2OH+C6H13CHO+HCHO 2.9E+0008 1.000 27100.0 ! DE 2556 CN !R81C8H16OHOO=>R2OH+HCHO+C6H13CHO 2.9E+0008 1.000 27100.0 ! DE 2557 CN !R502C3H6OHOO=>R2OH+HCHO+CH3CHO 2.9E+0008 1.000 27100.0 ! DE 2558 CN !R509C8H16OHOO=>R2OH+C5H11CHO+CH3CHO 2.9E+0008 1.000 27100.0 ! DE 2559 CN !R782C3H6OHOO=>R2OH+CH3CHO+HCHO 2.9E+0008 1.000 27100.0 ! DE 2560 CN !R784C4H8OHOO=>R2OH+C2H5CHO+HCHO 2.9E+0008 1.000 27100.0 ! DE 2561 CN !R840C5H10OHOO=>R2OH+C3H7CHO+HCHO 2.9E+0008 1.000 27100.0 ! DE 2562 CN !R856C6H12OHOO=>R2OH+C4H9CHO+HCHO 2.9E+0008 1.000 27100.0 ! DE 2563 CN !R921C4H8OHOO=>R2OH+HCHO+C2H5CHO 2.9E+0008 1.000 27100.0 ! DE 2564 CN !R935C5H10OHOO=>R2OH+HCHO+C3H7CHO 2.9E+0008 1.000 27100.0 ! DE 2565 CN !R1310C6H12OHOO=>R2OH+C3H7CHO+CH3CHO 2.9E+0008 1.000 27100.0 ! DE 2566 CN !R1313C6H12OHOO=>R2OH+HCHO+C4H9CHO 2.9E+0008 1.000 27100.0 ! DE 2567 CN !Waddington Ref:Lizardo-Huerta et al. PCCP 2016,18, 12231-12251 R76C8H16OHOO<=>R76C8H16OOHO 2.610E+10 0.290 20378.0 REV/ 8.860E+15 -1.36 1500 / R76C8H16OOHO=>R2OH+C6H13CHO+HCHO 1.990E+19 -1.50 10820. ! DE 2556 CN ts R81C8H16OHOO<=>R81C8H16OOHO 1.180E+10 0.390 20322.0 REV/ 4.280E+17 -1.94 2592 / R81C8H16OOHO=>R2OH+HCHO+C6H13CHO 8.690E+21 -2.370 12629.0 ! DE 2557 CN st R502C3H6OHOO<=>R502C3H6OOHO 1.180E+10 0.390 20322.0 REV/ 4.280E+17 -1.94 2592 / R502C3H6OOHO=>R2OH+HCHO+CH3CHO 8.690E+21 -2.370 12629.0 ! DE 2558 CN st R509C8H16OHOO<=>R509C8H16OOHO 1.800E+11 0.100 20330.0 REV/ 1.220E+17 -1.71 1679 / R509C8H16OOHO=>R2OH+C5H11CHO+CH3CHO 4.720E+20 -2.06 9465.0 ! DE 2559 CN tt R782C3H6OHOO<=>R782C3H6OOHO 2.610E+10 0.290 20378.0 REV/ 8.860E+15 -1.36 1500 / R782C3H6OOHO=>R2OH+CH3CHO+HCHO 1.990E+19 -1.50 10820.0 ! DE 2560 CN ts R784C4H8OHOO<=>R784C4H8OOHO 2.610E+10 0.290 20378.0 REV/ 8.860E+15 -1.36 1500 / R784C4H8OOHO=>R2OH+C2H5CHO+HCHO 1.990E+19 -1.50 10820.0 ! DE 2561 CN ts R840C5H10OHOO<=>R840C5H10OOHO 2.610E+10 0.290 20378.0 REV/ 8.860E+15 -1.36 1500 / R840C5H10OOHO=>R2OH+C3H7CHO+HCHO 1.990E+19 -1.50 10820.0 ! DE 2562 CN ts R856C6H12OHOO<=>R856C6H12OOHO 2.610E+10 0.290 20378.0 REV/ 8.860E+15 -1.36 1500 / R856C6H12OOHO=>R2OH+C4H9CHO+HCHO 1.990E+19 -1.50 10820.0 ! DE 2563 CN ts R921C4H8OHOO<=>R921C4H8OOHO 1.180E+10 0.390 20322.0 REV/ 4.280E+17 -1.94 2592 / R921C4H8OOHO=>R2OH+HCHO+C2H5CHO 8.690E+21 -2.370 12629.0 ! DE 2564 CN st R935C5H10OHOO<=>R935C5H10OOHO 1.180E+10 0.390 20322.0 REV/ 4.280E+17 -1.94 2592 / R935C5H10OOHO=>R2OH+HCHO+C3H7CHO 8.690E+21 -2.370 12629.0 ! DE 2565 CN st R1310C6H12OHOO<=>R1310C6H12OOHO 1.800E+11 0.100 20330.0 REV/ 1.220E+17 -1.71 1679 / R1310C6H12OOHO=>R2OH+C3H7CHO+CH3CHO 4.720E+20 -2.06 9465.0 ! DE 2566 CN tt R1313C6H12OHOO<=>R1313C6H12OOHO 1.180E+10 0.390 20322.0 REV/ 4.280E+17 -1.94 2592 / R1313C6H12OOHO=>R2OH+HCHO+C4H9CHO 8.690E+21 -2.370 12629.0 ! DE 2567 CN st R1670C4H8OHOO<=>R1670C4H8OOHO 1.800E+11 0.100 20330.0 REV/ 1.220E+17 -1.71 1679 / R1670C4H8OOHO=>R2OH+CH3CHO+CH3CHO 4.720E+20 -2.06 9465.0 ! DE 894 CN tt ! Decomposition of OOQOOH into branching agents: R254C3H6OOOOH=>R2OH+C2H5COOOH 5.0E+0009 1.000 35500.0 ! 2568 CN DUPLICATE R254C3H6OOOOH=>R2OH+C2H5COOOH 3.3E+0009 1.000 30500.0 ! 2569 CN DUPLICATE R255C3H6OOOOH=>R2OH+C2H5COOOH 3.3E+0009 1.000 32500.0 ! 2570 CN DUPLICATE R255C3H6OOOOH=>R2OH+C2H5COOOH 5.7E+0008 1.000 23000.0 ! 2571 CN DUPLICATE R256C4H8OOOOH=>R2OH+C3H7COOOH 3.3E+0009 1.000 30500.0 ! 2572 CN DUPLICATE R256C4H8OOOOH=>R2OH+C3H7COOOH 3.3E+0009 1.000 32500.0 ! 2573 CN DUPLICATE R256C4H8OOOOH=>R2OH+C3H7COOOH 8.6E+0008 1.000 28000.0 ! 2574 CN DUPLICATE R257C4H8OOOOH=>R2OH+C3H7COOOH 5.0E+0009 1.000 35500.0 ! 2575 CN DUPLICATE R257C4H8OOOOH=>R2OH+C3H7COOOH 3.3E+0009 1.000 32500.0 ! 2576 CN DUPLICATE R257C4H8OOOOH=>R2OH+C3H7COOOH 5.7E+0008 1.000 23000.0 ! 2577 CN DUPLICATE R258C4H8OOOOH=>R2OH+C3H7COOOH 5.7E+0008 1.000 32500.0 ! 2578 CN DUPLICATE R258C4H8OOOOH=>R2OH+C3H7COOOH 5.7E+0008 1.000 25000.0 ! 2579 CN DUPLICATE R258C4H8OOOOH=>R2OH+C3H7COOOH 9.9E+0007 1.000 20000.0 ! 2580 CN DUPLICATE R260C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 30500.0 ! 2581 CN DUPLICATE R260C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 2582 CN DUPLICATE R260C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 2583 CN DUPLICATE R260C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 19500.0 ! 2584 CN DUPLICATE R260C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.5E+0006 1.000 25300.0 ! 2585 CN DUPLICATE R263C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 2586 CN DUPLICATE R263C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 23000.0 ! 2587 CN DUPLICATE R263C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 2588 CN DUPLICATE R263C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 22500.0 ! 2589 CN DUPLICATE R263C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 26300.0 ! 2590 CN DUPLICATE R263C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 23800.0 ! 2591 CN DUPLICATE R264C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 30000.0 ! 2592 CN DUPLICATE R264C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 29300.0 ! 2593 CN DUPLICATE R264C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 27800.0 ! 2594 CN DUPLICATE R264C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 2595 CN DUPLICATE R264C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 2596 CN DUPLICATE R264C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 20000.0 ! 2597 CN DUPLICATE R266C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 2598 CN DUPLICATE R266C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 33700.0 ! 2599 CN DUPLICATE R266C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 2600 CN DUPLICATE R266C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 2601 CN DUPLICATE R266C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 22000.0 ! 2602 CN DUPLICATE R266C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0007 1.000 19000.0 ! 2603 CN DUPLICATE R267C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 2604 CN DUPLICATE R267C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 31200.0 ! 2605 CN DUPLICATE R267C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 18500.0 ! 2606 CN DUPLICATE R267C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 17000.0 ! 2607 CN DUPLICATE R284C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 30500.0 ! 2608 CN DUPLICATE R284C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 2609 CN DUPLICATE R284C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 22500.0 ! 2610 CN DUPLICATE R284C6H10OOOOHZ=>R2OH+C5H9COOOHZ 4.9E+0007 1.000 26300.0 ! 2611 CN DUPLICATE R284C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 23800.0 ! 2612 CN DUPLICATE R286C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 2613 CN DUPLICATE R286C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 23000.0 ! 2614 CN DUPLICATE R286C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 30000.0 ! 2615 CN DUPLICATE R286C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 29300.0 ! 2616 CN DUPLICATE R286C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 27800.0 ! 2617 CN DUPLICATE R287C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 36800.0 ! 2618 CN DUPLICATE R287C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 33700.0 ! 2619 CN DUPLICATE R287C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 2620 CN DUPLICATE R287C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 25000.0 ! 2621 CN DUPLICATE R287C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 20000.0 ! 2622 CN DUPLICATE R288C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 36800.0 ! 2623 CN DUPLICATE R288C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 31200.0 ! 2624 CN DUPLICATE R288C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 18500.0 ! 2625 CN DUPLICATE R288C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 17000.0 ! 2626 CN DUPLICATE R299C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 30500.0 ! 2627 CN DUPLICATE R299C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 30000.0 ! 2628 CN DUPLICATE R299C5H8OOOOHZ=>R2OH+C4H7COOOHZ 2.9E+0008 1.000 29300.0 ! 2629 CN DUPLICATE R299C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.7E+0008 1.000 27800.0 ! 2630 CN DUPLICATE R300C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 36800.0 ! 2631 CN DUPLICATE R300C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 33700.0 ! 2632 CN DUPLICATE R300C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 32500.0 ! 2633 CN DUPLICATE R300C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.7E+0008 1.000 23000.0 ! 2634 CN DUPLICATE R301C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 36800.0 ! 2635 CN DUPLICATE R301C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 31200.0 ! 2636 CN DUPLICATE R301C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.7E+0008 1.000 18500.0 ! 2637 CN DUPLICATE R301C5H8OOOOHZ=>R2OH+C4H7COOOHZ 9.9E+0007 1.000 15000.0 ! 2638 CN DUPLICATE R304C4H6OOOOHZ=>R2OH+C3H5COOOHZ 3.3E+0009 1.000 30500.0 ! 2639 CN DUPLICATE R304C4H6OOOOHZ=>R2OH+C3H5COOOHZ 1.7E+0009 1.000 36800.0 ! 2640 CN DUPLICATE R304C4H6OOOOHZ=>R2OH+C3H5COOOHZ 3.3E+0009 1.000 33700.0 ! 2641 CN DUPLICATE R305C4H6OOOOHZ=>R2OH+C3H5COOOHZ 1.7E+0009 1.000 36800.0 ! 2642 CN DUPLICATE R305C4H6OOOOHZ=>R2OH+C3H5COOOHZ 1.7E+0009 1.000 31200.0 ! 2643 CN DUPLICATE R305C4H6OOOOHZ=>R2OH+C3H5COOOHZ 5.7E+0008 1.000 16500.0 ! 2644 CN DUPLICATE R307C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 30500.0 ! 2645 CN DUPLICATE R307C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 2646 CN DUPLICATE R307C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 2647 CN DUPLICATE R307C5H10OOOOH=>R2OH+C4H9COOOH 1.5E+0008 1.000 25000.0 ! 2648 CN DUPLICATE R308C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 2649 CN DUPLICATE R308C5H10OOOOH=>R2OH+C4H9COOOH 8.6E+0008 1.000 28000.0 ! 2650 CN DUPLICATE R308C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 2651 CN DUPLICATE R308C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 23000.0 ! 2652 CN DUPLICATE R309C5H10OOOOH=>R2OH+C4H9COOOH 5.0E+0009 1.000 35500.0 ! 2653 CN DUPLICATE R309C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 2654 CN DUPLICATE R309C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 2655 CN DUPLICATE R309C5H10OOOOH=>R2OH+C4H9COOOH 9.9E+0007 1.000 20000.0 ! 2656 CN DUPLICATE R311C5H10OOOOH=>R2OH+C4H9COOOH 9.9E+0007 1.000 32500.0 ! 2657 CN DUPLICATE R311C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 2658 CN DUPLICATE R311C5H10OOOOH=>R2OH+C4H9COOOH 9.9E+0007 1.000 22000.0 ! 2659 CN DUPLICATE R311C5H10OOOOH=>R2OH+C4H9COOOH 1.7E+0007 1.000 19000.0 ! 2660 CN DUPLICATE R319C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 25500.0 ! 2661 CN DUPLICATE R319C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 29300.0 ! 2662 CN DUPLICATE R319C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 27800.0 ! 2663 CN DUPLICATE R319C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2664 CN DUPLICATE R319C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2665 CN DUPLICATE R319C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2666 CN DUPLICATE R319C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.5E+0007 1.000 24000.0 ! 2667 CN DUPLICATE R320C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2668 CN DUPLICATE R320C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2669 CN DUPLICATE R320C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.5E+0008 1.000 25000.0 ! 2670 CN DUPLICATE R320C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2671 CN DUPLICATE R320C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 18000.0 ! 2672 CN DUPLICATE R320C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 26300.0 ! 2673 CN DUPLICATE R320C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 23800.0 ! 2674 CN DUPLICATE R322C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2675 CN DUPLICATE R322C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.6E+0008 1.000 28000.0 ! 2676 CN DUPLICATE R322C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2677 CN DUPLICATE R322C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2678 CN DUPLICATE R322C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 15000.0 ! 2679 CN DUPLICATE R322C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 25300.0 ! 2680 CN DUPLICATE R325C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.0E+0009 1.000 35500.0 ! 2681 CN DUPLICATE R325C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2682 CN DUPLICATE R325C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2683 CN DUPLICATE R325C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2684 CN DUPLICATE R325C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 14000.0 ! 2685 CN DUPLICATE R332C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 30500.0 ! 2686 CN DUPLICATE R332C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 2687 CN DUPLICATE R332C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 2688 CN DUPLICATE R332C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 2689 CN DUPLICATE R332C6H12OOOOH=>R2OH+C5H11COOOH 2.5E+0007 1.000 24000.0 ! 2690 CN DUPLICATE R334C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 2691 CN DUPLICATE R334C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 23000.0 ! 2692 CN DUPLICATE R334C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 2693 CN DUPLICATE R334C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 2694 CN DUPLICATE R334C6H12OOOOH=>R2OH+C5H11COOOH 1.5E+0008 1.000 25000.0 ! 2695 CN DUPLICATE R335C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 2696 CN DUPLICATE R335C6H12OOOOH=>R2OH+C5H11COOOH 8.6E+0008 1.000 28000.0 ! 2697 CN DUPLICATE R335C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 2698 CN DUPLICATE R335C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 2699 CN DUPLICATE R335C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 20000.0 ! 2700 CN DUPLICATE R336C6H12OOOOH=>R2OH+C5H11COOOH 5.0E+0009 1.000 35500.0 ! 2701 CN DUPLICATE R336C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 2702 CN DUPLICATE R336C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 2703 CN DUPLICATE R336C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 2704 CN DUPLICATE R336C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 19000.0 ! 2705 CN DUPLICATE R347C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 30500.0 ! 2706 CN DUPLICATE R347C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2707 CN DUPLICATE R347C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2708 CN DUPLICATE R347C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2709 CN DUPLICATE R347C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 18500.0 ! 2710 CN DUPLICATE R351C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2711 CN DUPLICATE R351C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 23000.0 ! 2712 CN DUPLICATE R351C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2713 CN DUPLICATE R351C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2714 CN DUPLICATE R351C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 19500.0 ! 2715 CN DUPLICATE R351C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 25300.0 ! 2716 CN DUPLICATE R352C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2717 CN DUPLICATE R352C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2718 CN DUPLICATE R352C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 20000.0 ! 2719 CN DUPLICATE R352C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2720 CN DUPLICATE R352C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 22500.0 ! 2721 CN DUPLICATE R352C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 26300.0 ! 2722 CN DUPLICATE R352C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 23800.0 ! 2723 CN DUPLICATE R354C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 30000.0 ! 2724 CN DUPLICATE R354C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 29300.0 ! 2725 CN DUPLICATE R354C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 27800.0 ! 2726 CN DUPLICATE R354C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2727 CN DUPLICATE R354C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2728 CN DUPLICATE R354C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2729 CN DUPLICATE R354C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 19000.0 ! 2730 CN DUPLICATE R360C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 2731 CN DUPLICATE R360C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 33700.0 ! 2732 CN DUPLICATE R360C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 27500.0 ! 2733 CN DUPLICATE R360C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2734 CN DUPLICATE R360C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2735 CN DUPLICATE R360C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 2736 CN DUPLICATE R361C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 2737 CN DUPLICATE R361C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 31200.0 ! 2738 CN DUPLICATE R361C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 14000.0 ! 2739 CN DUPLICATE R361C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 17000.0 ! 2740 CN DUPLICATE R364C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2741 CN DUPLICATE R364C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2742 CN DUPLICATE R364C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.5E+0008 1.000 25000.0 ! 2743 CN DUPLICATE R364C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 27500.0 ! 2744 CN DUPLICATE R364C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 22500.0 ! 2745 CN DUPLICATE R364C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 26300.0 ! 2746 CN DUPLICATE R364C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 23800.0 ! 2747 CN DUPLICATE R365C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2748 CN DUPLICATE R365C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.6E+0008 1.000 28000.0 ! 2749 CN DUPLICATE R365C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2750 CN DUPLICATE R365C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 20000.0 ! 2751 CN DUPLICATE R365C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 19500.0 ! 2752 CN DUPLICATE R365C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 25300.0 ! 2753 CN DUPLICATE R366C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.0E+0009 1.000 35500.0 ! 2754 CN DUPLICATE R366C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2755 CN DUPLICATE R366C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2756 CN DUPLICATE R366C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 17000.0 ! 2757 CN DUPLICATE R366C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 18500.0 ! 2758 CN DUPLICATE R368C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2759 CN DUPLICATE R368C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2760 CN DUPLICATE R368C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2761 CN DUPLICATE R368C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 16000.0 ! 2762 CN DUPLICATE R370C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2763 CN DUPLICATE R370C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.6E+0008 1.000 28000.0 ! 2764 CN DUPLICATE R370C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 27500.0 ! 2765 CN DUPLICATE R370C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2766 CN DUPLICATE R370C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 19500.0 ! 2767 CN DUPLICATE R370C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 25300.0 ! 2768 CN DUPLICATE R371C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.0E+0009 1.000 35500.0 ! 2769 CN DUPLICATE R371C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2770 CN DUPLICATE R371C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 20000.0 ! 2771 CN DUPLICATE R371C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2772 CN DUPLICATE R371C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 18500.0 ! 2773 CN DUPLICATE R372C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2774 CN DUPLICATE R372C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2775 CN DUPLICATE R372C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 17000.0 ! 2776 CN DUPLICATE R372C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 2777 CN DUPLICATE R375C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 30000.0 ! 2778 CN DUPLICATE R375C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 29300.0 ! 2779 CN DUPLICATE R375C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 27800.0 ! 2780 CN DUPLICATE R375C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 27500.0 ! 2781 CN DUPLICATE R375C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2782 CN DUPLICATE R375C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2783 CN DUPLICATE R375C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.5E+0007 1.000 24000.0 ! 2784 CN DUPLICATE R376C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 2785 CN DUPLICATE R376C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 33700.0 ! 2786 CN DUPLICATE R376C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2787 CN DUPLICATE R376C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 20000.0 ! 2788 CN DUPLICATE R376C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2789 CN DUPLICATE R376C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 2790 CN DUPLICATE R377C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 2791 CN DUPLICATE R377C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 31200.0 ! 2792 CN DUPLICATE R377C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 18500.0 ! 2793 CN DUPLICATE R377C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 12000.0 ! 2794 CN DUPLICATE R379C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.0E+0009 1.000 35500.0 ! 2795 CN DUPLICATE R379C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 27500.0 ! 2796 CN DUPLICATE R379C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2797 CN DUPLICATE R379C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2798 CN DUPLICATE R379C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 18500.0 ! 2799 CN DUPLICATE R381C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2800 CN DUPLICATE R381C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 20000.0 ! 2801 CN DUPLICATE R381C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2802 CN DUPLICATE R381C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 2803 CN DUPLICATE R382C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 27500.0 ! 2804 CN DUPLICATE R382C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2805 CN DUPLICATE R382C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.5E+0008 1.000 25000.0 ! 2806 CN DUPLICATE R382C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2807 CN DUPLICATE R382C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 22500.0 ! 2808 CN DUPLICATE R382C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 26300.0 ! 2809 CN DUPLICATE R382C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 23800.0 ! 2810 CN DUPLICATE R383C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 30000.0 ! 2811 CN DUPLICATE R383C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 29300.0 ! 2812 CN DUPLICATE R383C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 27800.0 ! 2813 CN DUPLICATE R383C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2814 CN DUPLICATE R383C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 20000.0 ! 2815 CN DUPLICATE R383C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2816 CN DUPLICATE R383C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.5E+0007 1.000 24000.0 ! 2817 CN DUPLICATE R385C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 2818 CN DUPLICATE R385C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 33700.0 ! 2819 CN DUPLICATE R385C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2820 CN DUPLICATE R385C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2821 CN DUPLICATE R385C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 17000.0 ! 2822 CN DUPLICATE R385C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 2823 CN DUPLICATE R386C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 2824 CN DUPLICATE R386C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 31200.0 ! 2825 CN DUPLICATE R386C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 18500.0 ! 2826 CN DUPLICATE R386C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 17000.0 ! 2827 CN DUPLICATE R391C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 27500.0 ! 2828 CN DUPLICATE R391C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2829 CN DUPLICATE R391C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2830 CN DUPLICATE R391C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 2831 CN DUPLICATE R393C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 27500.0 ! 2832 CN DUPLICATE R393C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.6E+0008 1.000 28000.0 ! 2833 CN DUPLICATE R393C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2834 CN DUPLICATE R393C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2835 CN DUPLICATE R393C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 19500.0 ! 2836 CN DUPLICATE R393C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 25300.0 ! 2837 CN DUPLICATE R395C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2838 CN DUPLICATE R395C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 20000.0 ! 2839 CN DUPLICATE R395C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.5E+0008 1.000 25000.0 ! 2840 CN DUPLICATE R395C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2841 CN DUPLICATE R395C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 22500.0 ! 2842 CN DUPLICATE R395C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 26300.0 ! 2843 CN DUPLICATE R395C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 23800.0 ! 2844 CN DUPLICATE R396C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 30000.0 ! 2845 CN DUPLICATE R396C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 29300.0 ! 2846 CN DUPLICATE R396C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 27800.0 ! 2847 CN DUPLICATE R396C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2848 CN DUPLICATE R396C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2849 CN DUPLICATE R396C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 17000.0 ! 2850 CN DUPLICATE R396C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.5E+0007 1.000 24000.0 ! 2851 CN DUPLICATE R399C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 2852 CN DUPLICATE R399C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 33700.0 ! 2853 CN DUPLICATE R399C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 2854 CN DUPLICATE R399C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 2855 CN DUPLICATE R399C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 2856 CN DUPLICATE R399C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 16000.0 ! 2857 CN DUPLICATE R400C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 2858 CN DUPLICATE R400C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 31200.0 ! 2859 CN DUPLICATE R400C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 18500.0 ! 2860 CN DUPLICATE R400C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 17000.0 ! 2861 CN DUPLICATE R402C8H16OOOOH=>R2OH+C8KET21 1.7E+0009 1.000 27500.0 ! 2862 CN DUPLICATE R402C8H16OOOOH=>R2OH+C8KET21 5.7E+0008 1.000 25000.0 ! 2863 CN DUPLICATE R402C8H16OOOOH=>R2OH+C8KET21 9.9E+0007 1.000 22000.0 ! 2864 CN DUPLICATE R402C8H16OOOOH=>R2OH+C8KET21 1.7E+0007 1.000 21000.0 ! 2865 CN DUPLICATE R404C8H16OOOOH=>R2OH+C8KET23 1.7E+0009 1.000 27500.0 ! 2866 CN DUPLICATE R404C8H16OOOOH=>R2OH+C8KET23 8.6E+0008 1.000 28000.0 ! 2867 CN DUPLICATE R404C8H16OOOOH=>R2OH+C8KET23 3.3E+0009 1.000 32500.0 ! 2868 CN DUPLICATE R404C8H16OOOOH=>R2OH+C8KET23 5.7E+0008 1.000 25000.0 ! 2869 CN DUPLICATE R404C8H16OOOOH=>R2OH+C8KET23 9.9E+0007 1.000 22000.0 ! 2870 CN DUPLICATE R404C8H16OOOOH=>R2OH+C8KET23 1.7E+0007 1.000 21000.0 ! 2871 CN DUPLICATE R406C8H16OOOOH=>R2OH+C8KET24 3.3E+0009 1.000 32500.0 ! 2872 CN DUPLICATE R406C8H16OOOOH=>R2OH+C8KET24 2.9E+0008 1.000 20000.0 ! 2873 CN DUPLICATE R406C8H16OOOOH=>R2OH+C8KET24 1.5E+0008 1.000 25000.0 ! 2874 CN DUPLICATE R406C8H16OOOOH=>R2OH+C8KET24 3.3E+0009 1.000 32500.0 ! 2875 CN DUPLICATE R406C8H16OOOOH=>R2OH+C8KET24 5.7E+0008 1.000 25000.0 ! 2876 CN DUPLICATE R406C8H16OOOOH=>R2OH+C8KET24 9.9E+0007 1.000 22000.0 ! 2877 CN DUPLICATE R406C8H16OOOOH=>R2OH+C8KET24 2.5E+0007 1.000 24000.0 ! 2878 CN DUPLICATE R407C8H16OOOOH=>R2OH+C8KET25 3.3E+0009 1.000 32500.0 ! 2879 CN DUPLICATE R407C8H16OOOOH=>R2OH+C8KET25 5.7E+0008 1.000 25000.0 ! 2880 CN DUPLICATE R407C8H16OOOOH=>R2OH+C8KET25 1.5E+0008 1.000 25000.0 ! 2881 CN DUPLICATE R407C8H16OOOOH=>R2OH+C8KET25 3.3E+0009 1.000 32500.0 ! 2882 CN DUPLICATE R407C8H16OOOOH=>R2OH+C8KET25 5.7E+0008 1.000 25000.0 ! 2883 CN DUPLICATE R407C8H16OOOOH=>R2OH+C8KET25 4.9E+0007 1.000 17000.0 ! 2884 CN DUPLICATE R407C8H16OOOOH=>R2OH+C8KET25 2.5E+0007 1.000 24000.0 ! 2885 CN DUPLICATE R409C8H16OOOOH=>R2OH+C8KET26 3.3E+0009 1.000 32500.0 ! 2886 CN DUPLICATE R409C8H16OOOOH=>R2OH+C8KET26 8.6E+0008 1.000 28000.0 ! 2887 CN DUPLICATE R409C8H16OOOOH=>R2OH+C8KET26 3.3E+0009 1.000 32500.0 ! 2888 CN DUPLICATE R409C8H16OOOOH=>R2OH+C8KET26 5.7E+0008 1.000 25000.0 ! 2889 CN DUPLICATE R409C8H16OOOOH=>R2OH+C8KET26 9.9E+0007 1.000 22000.0 ! 2890 CN DUPLICATE R409C8H16OOOOH=>R2OH+C8KET26 8.5E+0006 1.000 16000.0 ! 2891 CN DUPLICATE R423C8H16OOOOH=>R2OH+C8KET12 3.3E+0009 1.000 30500.0 ! 2892 CN DUPLICATE R423C8H16OOOOH=>R2OH+C8KET12 3.3E+0009 1.000 32500.0 ! 2893 CN DUPLICATE R423C8H16OOOOH=>R2OH+C8KET12 5.7E+0008 1.000 25000.0 ! 2894 CN DUPLICATE R423C8H16OOOOH=>R2OH+C8KET12 9.9E+0007 1.000 22000.0 ! 2895 CN DUPLICATE R423C8H16OOOOH=>R2OH+C8KET12 1.7E+0007 1.000 21000.0 ! 2896 CN DUPLICATE R427C8H16OOOOH=>R2OH+C8KET13 3.3E+0009 1.000 32500.0 ! 2897 CN DUPLICATE R427C8H16OOOOH=>R2OH+C8KET13 5.7E+0008 1.000 23000.0 ! 2898 CN DUPLICATE R427C8H16OOOOH=>R2OH+C8KET13 3.3E+0009 1.000 32500.0 ! 2899 CN DUPLICATE R427C8H16OOOOH=>R2OH+C8KET13 5.7E+0008 1.000 25000.0 ! 2900 CN DUPLICATE R427C8H16OOOOH=>R2OH+C8KET13 9.9E+0007 1.000 22000.0 ! 2901 CN DUPLICATE R427C8H16OOOOH=>R2OH+C8KET13 1.7E+0007 1.000 21000.0 ! 2902 CN DUPLICATE R428C8H16OOOOH=>R2OH+C8KET14 3.3E+0009 1.000 32500.0 ! 2903 CN DUPLICATE R428C8H16OOOOH=>R2OH+C8KET14 5.7E+0008 1.000 25000.0 ! 2904 CN DUPLICATE R428C8H16OOOOH=>R2OH+C8KET14 9.9E+0007 1.000 20000.0 ! 2905 CN DUPLICATE R428C8H16OOOOH=>R2OH+C8KET14 3.3E+0009 1.000 32500.0 ! 2906 CN DUPLICATE R428C8H16OOOOH=>R2OH+C8KET14 5.7E+0008 1.000 25000.0 ! 2907 CN DUPLICATE R428C8H16OOOOH=>R2OH+C8KET14 9.9E+0007 1.000 22000.0 ! 2908 CN DUPLICATE R428C8H16OOOOH=>R2OH+C8KET14 2.5E+0007 1.000 24000.0 ! 2909 CN DUPLICATE R430C8H16OOOOH=>R2OH+C8KET15 3.3E+0009 1.000 32500.0 ! 2910 CN DUPLICATE R430C8H16OOOOH=>R2OH+C8KET15 5.7E+0008 1.000 25000.0 ! 2911 CN DUPLICATE R430C8H16OOOOH=>R2OH+C8KET15 1.5E+0008 1.000 25000.0 ! 2912 CN DUPLICATE R430C8H16OOOOH=>R2OH+C8KET15 3.3E+0009 1.000 32500.0 ! 2913 CN DUPLICATE R430C8H16OOOOH=>R2OH+C8KET15 5.7E+0008 1.000 25000.0 ! 2914 CN DUPLICATE R430C8H16OOOOH=>R2OH+C8KET15 9.9E+0007 1.000 22000.0 ! 2915 CN DUPLICATE R430C8H16OOOOH=>R2OH+C8KET15 1.7E+0007 1.000 19000.0 ! 2916 CN DUPLICATE !R431C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 2917 CN ! DUPLICATE R431C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 2918 CN DUPLICATE R431C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2919 CN DUPLICATE R431C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 2920 CN DUPLICATE R431C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 2921 CN DUPLICATE R433C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 2922 CN DUPLICATE R433C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 2923 CN DUPLICATE !R433C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 2924 CN ! DUPLICATE R433C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 32500.0 ! 2925 CN DUPLICATE R433C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 25000.0 ! 2926 CN DUPLICATE R433C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 22000.0 ! 2927 CN DUPLICATE R433C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 2928 CN DUPLICATE R435C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2929 CN DUPLICATE R435C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 2930 CN DUPLICATE R435C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 2931 CN DUPLICATE !R435C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 2932 CN ! DUPLICATE R435C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2933 CN DUPLICATE R435C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2934 CN DUPLICATE R435C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 2935 CN DUPLICATE R435C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 2936 CN DUPLICATE R436C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 32500.0 ! 2937 CN DUPLICATE R436C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2938 CN DUPLICATE R436C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 2939 CN DUPLICATE R436C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 32500.0 ! 2940 CN DUPLICATE R436C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2941 CN DUPLICATE R436C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 2942 CN DUPLICATE R436C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 2943 CN DUPLICATE R439C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2944 CN DUPLICATE R439C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 2945 CN DUPLICATE R439C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2946 CN DUPLICATE R439C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2947 CN DUPLICATE R439C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 2948 CN DUPLICATE R439C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 2949 CN DUPLICATE !R476C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 2950 CN ! DUPLICATE R476C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 30500.0 ! 2951 CN DUPLICATE R476C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2952 CN DUPLICATE R476C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2953 CN DUPLICATE R476C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 2954 CN DUPLICATE R476C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 2955 CN DUPLICATE R480C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 2956 CN DUPLICATE !R480C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 2957 CN ! DUPLICATE R480C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 2958 CN DUPLICATE R480C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2959 CN DUPLICATE R480C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2960 CN DUPLICATE R480C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 2961 CN DUPLICATE R480C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 2962 CN DUPLICATE R481C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2963 CN DUPLICATE R481C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 2964 CN DUPLICATE !R481C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 2965 CN ! DUPLICATE R481C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 2966 CN DUPLICATE R481C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2967 CN DUPLICATE R481C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2968 CN DUPLICATE R481C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 2969 CN DUPLICATE R481C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 2970 CN DUPLICATE R483C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2971 CN DUPLICATE R483C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2972 CN DUPLICATE R483C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 2973 CN DUPLICATE R483C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 2974 CN DUPLICATE R483C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 2975 CN DUPLICATE R483C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 2976 CN DUPLICATE !R483C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 2977 CN ! DUPLICATE R483C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 2978 CN DUPLICATE R520C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 30500.0 ! 2979 CN DUPLICATE R520C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 2980 CN DUPLICATE R520C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 2981 CN DUPLICATE R520C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 2982 CN DUPLICATE R520C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 2983 CN DUPLICATE R523C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 2984 CN DUPLICATE R523C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 23000.0 ! 2985 CN DUPLICATE R523C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 2986 CN DUPLICATE R523C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 2987 CN DUPLICATE R523C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 2988 CN DUPLICATE R523C7H14OOOOH=>R2OH+C6H13COOOH 2.5E+0007 1.000 24000.0 ! 2989 CN DUPLICATE R524C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 2990 CN DUPLICATE R524C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 2991 CN DUPLICATE R524C7H14OOOOH=>R2OH+C6H13COOOH 1.5E+0008 1.000 25000.0 ! 2992 CN DUPLICATE R524C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 2993 CN DUPLICATE R524C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 2994 CN DUPLICATE R524C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 20000.0 ! 2995 CN DUPLICATE R526C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 2996 CN DUPLICATE R526C7H14OOOOH=>R2OH+C6H13COOOH 8.6E+0008 1.000 28000.0 ! 2997 CN DUPLICATE R526C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 2998 CN DUPLICATE R526C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 2999 CN DUPLICATE R526C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3000 CN DUPLICATE R526C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 19000.0 ! 3001 CN DUPLICATE R541C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 3002 CN DUPLICATE R541C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 3003 CN DUPLICATE R541C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3004 CN DUPLICATE R541C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3005 CN DUPLICATE R541C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3006 CN DUPLICATE R543C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3007 CN DUPLICATE R543C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 3008 CN DUPLICATE R543C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3009 CN DUPLICATE R543C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3010 CN DUPLICATE R544C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 3011 CN DUPLICATE R544C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3012 CN DUPLICATE R544C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 3013 CN DUPLICATE R544C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3014 CN DUPLICATE R544C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3015 CN DUPLICATE R544C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3016 CN DUPLICATE R544C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3017 CN DUPLICATE R546C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3018 CN DUPLICATE R546C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3019 CN DUPLICATE R546C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3020 CN DUPLICATE R546C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3021 CN DUPLICATE R546C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3022 CN DUPLICATE R546C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 3023 CN DUPLICATE R546C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3024 CN DUPLICATE R546C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3025 CN DUPLICATE R547C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3026 CN DUPLICATE R547C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3027 CN DUPLICATE R547C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 3028 CN DUPLICATE R547C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3029 CN DUPLICATE R547C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3030 CN DUPLICATE R547C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 3031 CN DUPLICATE R547C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3032 CN DUPLICATE R549C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3033 CN DUPLICATE R549C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 3034 CN DUPLICATE R549C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 32500.0 ! 3035 CN DUPLICATE R549C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3036 CN DUPLICATE R549C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3037 CN DUPLICATE R549C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 3038 CN DUPLICATE R567C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 3039 CN DUPLICATE R567C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 30500.0 ! 3040 CN DUPLICATE R567C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3041 CN DUPLICATE R567C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3042 CN DUPLICATE R567C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3043 CN DUPLICATE R567C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3044 CN DUPLICATE R571C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 3045 CN DUPLICATE R571C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 23000.0 ! 3046 CN DUPLICATE R571C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3047 CN DUPLICATE R571C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3048 CN DUPLICATE R571C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3049 CN DUPLICATE R572C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3050 CN DUPLICATE R572C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3051 CN DUPLICATE R572C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3052 CN DUPLICATE R572C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3053 CN DUPLICATE R572C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 3054 CN DUPLICATE R572C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 3055 CN DUPLICATE R572C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 23000.0 ! 3056 CN DUPLICATE R573C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3057 CN DUPLICATE R573C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3058 CN DUPLICATE R573C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3059 CN DUPLICATE R573C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3060 CN DUPLICATE R573C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3061 CN DUPLICATE R573C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 22000.0 ! 3062 CN DUPLICATE R573C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 3063 CN DUPLICATE R573C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 20000.0 ! 3064 CN DUPLICATE R575C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3065 CN DUPLICATE R575C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3066 CN DUPLICATE R575C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 3067 CN DUPLICATE R575C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3068 CN DUPLICATE R575C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3069 CN DUPLICATE R575C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 19000.0 ! 3070 CN DUPLICATE R575C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3071 CN DUPLICATE R575C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 19000.0 ! 3072 CN DUPLICATE R613C4H8OOOOH=>R2OH+C3H7COOOH 3.3E+0009 1.000 32500.0 ! 3073 CN DUPLICATE R613C4H8OOOOH=>R2OH+C3H7COOOH 5.7E+0008 1.000 25000.0 ! 3074 CN DUPLICATE R613C4H8OOOOH=>R2OH+C3H7COOOH 1.5E+0008 1.000 25000.0 ! 3075 CN DUPLICATE R614C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3076 CN DUPLICATE R614C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 3077 CN DUPLICATE R614C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 22000.0 ! 3078 CN DUPLICATE R614C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0007 1.000 18500.0 ! 3079 CN DUPLICATE R615C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 3080 CN DUPLICATE R615C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 33700.0 ! 3081 CN DUPLICATE R615C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 27500.0 ! 3082 CN DUPLICATE R615C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 3083 CN DUPLICATE R615C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 22000.0 ! 3084 CN DUPLICATE R615C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.5E+0007 1.000 24000.0 ! 3085 CN DUPLICATE R616C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 3086 CN DUPLICATE R616C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 31200.0 ! 3087 CN DUPLICATE R616C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 14000.0 ! 3088 CN DUPLICATE R616C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 17000.0 ! 3089 CN DUPLICATE R618C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3090 CN DUPLICATE R618C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.6E+0008 1.000 28000.0 ! 3091 CN DUPLICATE R618C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 27500.0 ! 3092 CN DUPLICATE R618C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 22500.0 ! 3093 CN DUPLICATE R618C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 26300.0 ! 3094 CN DUPLICATE R618C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 23800.0 ! 3095 CN DUPLICATE R619C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.0E+0009 1.000 35500.0 ! 3096 CN DUPLICATE R619C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3097 CN DUPLICATE R619C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 20000.0 ! 3098 CN DUPLICATE R619C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 19500.0 ! 3099 CN DUPLICATE R619C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.5E+0006 1.000 25300.0 ! 3100 CN DUPLICATE R620C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3101 CN DUPLICATE R620C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 3102 CN DUPLICATE R620C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 17000.0 ! 3103 CN DUPLICATE R620C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0007 1.000 18500.0 ! 3104 CN DUPLICATE R621C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 25500.0 ! 3105 CN DUPLICATE R621C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 29300.0 ! 3106 CN DUPLICATE R621C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 27800.0 ! 3107 CN DUPLICATE R621C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3108 CN DUPLICATE R621C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 3109 CN DUPLICATE R621C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.5E+0008 1.000 25000.0 ! 3110 CN DUPLICATE R622C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3111 CN DUPLICATE R622C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.6E+0008 1.000 28000.0 ! 3112 CN DUPLICATE R622C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3113 CN DUPLICATE R622C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 18000.0 ! 3114 CN DUPLICATE R622C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 26300.0 ! 3115 CN DUPLICATE R622C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 23800.0 ! 3116 CN DUPLICATE R623C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.0E+0009 1.000 35500.0 ! 3117 CN DUPLICATE R623C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3118 CN DUPLICATE R623C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 3119 CN DUPLICATE R623C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 15000.0 ! 3120 CN DUPLICATE R623C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.5E+0006 1.000 25300.0 ! 3121 CN DUPLICATE R625C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 3122 CN DUPLICATE R625C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 3123 CN DUPLICATE R625C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 22000.0 ! 3124 CN DUPLICATE R625C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.5E+0006 1.000 14000.0 ! 3125 CN DUPLICATE R640C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 3126 CN DUPLICATE R640C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 25000.0 ! 3127 CN DUPLICATE R640C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 19500.0 ! 3128 CN DUPLICATE R640C6H10OOOOHZ=>R2OH+C5H9COOOHZ 8.5E+0006 1.000 25300.0 ! 3129 CN DUPLICATE R641C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 3130 CN DUPLICATE R641C6H10OOOOHZ=>R2OH+C5H9COOOHZ 8.6E+0008 1.000 28000.0 ! 3131 CN DUPLICATE R641C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 25500.0 ! 3132 CN DUPLICATE R641C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 29300.0 ! 3133 CN DUPLICATE R641C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 27800.0 ! 3134 CN DUPLICATE R642C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.0E+0009 1.000 35500.0 ! 3135 CN DUPLICATE R642C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 3136 CN DUPLICATE R642C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 18000.0 ! 3137 CN DUPLICATE R642C6H10OOOOHZ=>R2OH+C5H9COOOHZ 4.9E+0007 1.000 26300.0 ! 3138 CN DUPLICATE R642C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 23800.0 ! 3139 CN DUPLICATE R643C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 3140 CN DUPLICATE R643C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 25000.0 ! 3141 CN DUPLICATE R643C6H10OOOOHZ=>R2OH+C5H9COOOHZ 4.9E+0007 1.000 15000.0 ! 3142 CN DUPLICATE R643C6H10OOOOHZ=>R2OH+C5H9COOOHZ 8.5E+0006 1.000 25300.0 ! 3143 CN DUPLICATE R655C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 32500.0 ! 3144 CN DUPLICATE R655C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.7E+0008 1.000 22500.0 ! 3145 CN DUPLICATE R655C5H8OOOOHZ=>R2OH+C4H7COOOHZ 4.9E+0007 1.000 26300.0 ! 3146 CN DUPLICATE R655C5H8OOOOHZ=>R2OH+C4H7COOOHZ 9.9E+0007 1.000 23800.0 ! 3147 CN DUPLICATE R659C4H6OOOOHZ=>R2OH+C3H5COOOHZ 3.3E+0009 1.000 30000.0 ! 3148 CN DUPLICATE R659C4H6OOOOHZ=>R2OH+C3H5COOOHZ 2.9E+0008 1.000 29300.0 ! 3149 CN DUPLICATE R659C4H6OOOOHZ=>R2OH+C3H5COOOHZ 5.7E+0008 1.000 27800.0 ! 3150 CN DUPLICATE R660C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 3151 CN DUPLICATE R660C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 3152 CN DUPLICATE R660C5H10OOOOH=>R2OH+C4H9COOOH 9.9E+0007 1.000 22000.0 ! 3153 CN DUPLICATE R660C5H10OOOOH=>R2OH+C4H9COOOH 2.5E+0007 1.000 24000.0 ! 3154 CN DUPLICATE R661C5H10OOOOH=>R2OH+C4H9COOOH 1.7E+0009 1.000 27500.0 ! 3155 CN DUPLICATE R661C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 3156 CN DUPLICATE R661C5H10OOOOH=>R2OH+C4H9COOOH 9.9E+0007 1.000 22000.0 ! 3157 CN DUPLICATE R661C5H10OOOOH=>R2OH+C4H9COOOH 2.5E+0007 1.000 24000.0 ! 3158 CN DUPLICATE R662C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 3159 CN DUPLICATE R662C5H10OOOOH=>R2OH+C4H9COOOH 8.6E+0008 1.000 28000.0 ! 3160 CN DUPLICATE R662C5H10OOOOH=>R2OH+C4H9COOOH 1.7E+0009 1.000 27500.0 ! 3161 CN DUPLICATE R662C5H10OOOOH=>R2OH+C4H9COOOH 8.6E+0008 1.000 28000.0 ! 3162 CN DUPLICATE R663C5H10OOOOH=>R2OH+C4H9COOOH 1.5E+0008 1.000 35500.0 ! 3163 CN DUPLICATE R663C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 3164 CN DUPLICATE R663C5H10OOOOH=>R2OH+C4H9COOOH 2.9E+0008 1.000 20000.0 ! 3165 CN DUPLICATE R663C5H10OOOOH=>R2OH+C4H9COOOH 1.5E+0008 1.000 25000.0 ! 3166 CN DUPLICATE R664C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 3167 CN DUPLICATE R664C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 3168 CN DUPLICATE R664C5H10OOOOH=>R2OH+C4H9COOOH 4.9E+0007 1.000 17000.0 ! 3169 CN DUPLICATE R664C5H10OOOOH=>R2OH+C4H9COOOH 2.5E+0007 1.000 24000.0 ! 3170 CN DUPLICATE R666C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3171 CN DUPLICATE R666C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3172 CN DUPLICATE R666C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 3173 CN DUPLICATE R666C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 3174 CN DUPLICATE R667C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0009 1.000 27500.0 ! 3175 CN DUPLICATE R667C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 3176 CN DUPLICATE R667C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 3177 CN DUPLICATE R667C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0007 1.000 21000.0 ! 3178 CN DUPLICATE R673C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 3179 CN DUPLICATE R673C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 3180 CN DUPLICATE R673C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 3181 CN DUPLICATE R673C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 21000.0 ! 3182 CN DUPLICATE R674C3H4OOOOHZ=>R2OH+C2H3COOOHZ 1.7E+0009 1.000 36800.0 ! 3183 CN DUPLICATE R674C3H4OOOOHZ=>R2OH+C2H3COOOHZ 3.3E+0009 1.000 33700.0 ! 3184 CN DUPLICATE R675C3H4OOOOHZ=>R2OH+C2H3COOOHZ 1.7E+0009 1.000 36800.0 ! 3185 CN DUPLICATE R675C3H4OOOOHZ=>R2OH+C2H3COOOHZ 1.7E+0009 1.000 29200.0 ! 3186 CN DUPLICATE R676C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 3187 CN DUPLICATE R676C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 33700.0 ! 3188 CN DUPLICATE R676C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3189 CN DUPLICATE R676C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3190 CN DUPLICATE R676C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 3191 CN DUPLICATE R676C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 3192 CN DUPLICATE R677C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 3193 CN DUPLICATE R677C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 18500.0 ! 3194 CN DUPLICATE R677C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 17000.0 ! 3195 CN DUPLICATE R678C4H6OOOOHZ=>R2OH+C3H5COOOHZ 1.7E+0009 1.000 25500.0 ! 3196 CN DUPLICATE R678C4H6OOOOHZ=>R2OH+C3H5COOOHZ 2.9E+0008 1.000 29300.0 ! 3197 CN DUPLICATE R678C4H6OOOOHZ=>R2OH+C3H5COOOHZ 5.7E+0008 1.000 27800.0 ! 3198 CN DUPLICATE R681C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 32500.0 ! 3199 CN DUPLICATE R681C5H8OOOOHZ=>R2OH+C4H7COOOHZ 2.9E+0008 1.000 18000.0 ! 3200 CN DUPLICATE R681C5H8OOOOHZ=>R2OH+C4H7COOOHZ 4.9E+0007 1.000 26300.0 ! 3201 CN DUPLICATE R681C5H8OOOOHZ=>R2OH+C4H7COOOHZ 9.9E+0007 1.000 23800.0 ! 3202 CN DUPLICATE R685C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3203 CN DUPLICATE R685C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3204 CN DUPLICATE R685C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.5E+0008 1.000 25000.0 ! 3205 CN DUPLICATE R685C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 30000.0 ! 3206 CN DUPLICATE R685C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 29300.0 ! 3207 CN DUPLICATE R685C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 25300.0 ! 3208 CN DUPLICATE R685C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 12500.0 ! 3209 CN DUPLICATE R686C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3210 CN DUPLICATE R686C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.6E+0008 1.000 28000.0 ! 3211 CN DUPLICATE R686C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3212 CN DUPLICATE R686C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 22500.0 ! 3213 CN DUPLICATE R686C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 26300.0 ! 3214 CN DUPLICATE R686C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 21300.0 ! 3215 CN DUPLICATE R687C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.0E+0009 1.000 35500.0 ! 3216 CN DUPLICATE R687C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3217 CN DUPLICATE R687C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3218 CN DUPLICATE R687C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 19500.0 ! 3219 CN DUPLICATE R687C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 25300.0 ! 3220 CN DUPLICATE R690C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3221 CN DUPLICATE R690C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3222 CN DUPLICATE R690C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 3223 CN DUPLICATE R690C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 18500.0 ! 3224 CN DUPLICATE R691C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 32500.0 ! 3225 CN DUPLICATE R691C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 25000.0 ! 3226 CN DUPLICATE R691C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 3227 CN DUPLICATE R691C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 21000.0 ! 3228 CN DUPLICATE R692C6H12OOOOH=>R2OH+C5H11COOOH 5.0E+0009 1.000 35500.0 ! 3229 CN DUPLICATE R692C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0009 1.000 27500.0 ! 3230 CN DUPLICATE R692C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 3231 CN DUPLICATE R692C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 3232 CN DUPLICATE R692C6H12OOOOH=>R2OH+C5H11COOOH 2.5E+0007 1.000 24000.0 ! 3233 CN DUPLICATE R693C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 3234 CN DUPLICATE R693C6H12OOOOH=>R2OH+C5H11COOOH 2.9E+0008 1.000 20000.0 ! 3235 CN DUPLICATE R693C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 3236 CN DUPLICATE R693C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 21000.0 ! 3237 CN DUPLICATE R694C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 32500.0 ! 3238 CN DUPLICATE R694C6H12OOOOH=>R2OH+C5H11COOOH 1.5E+0008 1.000 28000.0 ! 3239 CN DUPLICATE R694C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0009 1.000 27500.0 ! 3240 CN DUPLICATE R694C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 3241 CN DUPLICATE R694C6H12OOOOH=>R2OH+C5H11COOOH 1.5E+0008 1.000 25000.0 ! 3242 CN DUPLICATE R695C6H12OOOOH=>R2OH+C5H11COOOH 5.0E+0009 1.000 35500.0 ! 3243 CN DUPLICATE R695C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 3244 CN DUPLICATE R695C6H12OOOOH=>R2OH+C5H11COOOH 2.9E+0008 1.000 20000.0 ! 3245 CN DUPLICATE R695C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 3246 CN DUPLICATE R695C6H12OOOOH=>R2OH+C5H11COOOH 2.5E+0007 1.000 24000.0 ! 3247 CN DUPLICATE R696C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 3248 CN DUPLICATE R696C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 3249 CN DUPLICATE R696C6H12OOOOH=>R2OH+C5H11COOOH 4.9E+0007 1.000 17000.0 ! 3250 CN DUPLICATE R696C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 21000.0 ! 3251 CN DUPLICATE R698C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0009 1.000 27500.0 ! 3252 CN DUPLICATE R698C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 3253 CN DUPLICATE R698C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 3254 CN DUPLICATE R698C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 21000.0 ! 3255 CN DUPLICATE R699C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0009 1.000 27500.0 ! 3256 CN DUPLICATE R699C6H12OOOOH=>R2OH+C5H11COOOH 8.6E+0008 1.000 28000.0 ! 3257 CN DUPLICATE R699C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 3258 CN DUPLICATE R699C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 3259 CN DUPLICATE R699C6H12OOOOH=>R2OH+C5H11COOOH 1.5E+0008 1.000 25000.0 ! 3260 CN DUPLICATE R700C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 3261 CN DUPLICATE R700C6H12OOOOH=>R2OH+C5H11COOOH 8.6E+0008 1.000 28000.0 ! 3262 CN DUPLICATE R700C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 3263 CN DUPLICATE R700C6H12OOOOH=>R2OH+C5H11COOOH 2.9E+0008 1.000 20000.0 ! 3264 CN DUPLICATE R700C6H12OOOOH=>R2OH+C5H11COOOH 1.5E+0008 1.000 25000.0 ! 3265 CN DUPLICATE R701C6H12OOOOH=>R2OH+C5H11COOOH 2.5E+0007 1.000 35500.0 ! 3266 CN DUPLICATE R701C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 32500.0 ! 3267 CN DUPLICATE R701C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 3268 CN DUPLICATE R701C6H12OOOOH=>R2OH+C5H11COOOH 4.9E+0007 1.000 17000.0 ! 3269 CN DUPLICATE R701C6H12OOOOH=>R2OH+C5H11COOOH 2.5E+0007 1.000 24000.0 ! 3270 CN DUPLICATE R703C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 3271 CN DUPLICATE R703C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 3272 CN DUPLICATE R703C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 3273 CN DUPLICATE R703C6H12OOOOH=>R2OH+C5H11COOOH 8.5E+0006 1.000 16000.0 ! 3274 CN DUPLICATE R704C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 3275 CN DUPLICATE R704C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 33700.0 ! 3276 CN DUPLICATE R704C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3277 CN DUPLICATE R704C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3278 CN DUPLICATE R704C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 3279 CN DUPLICATE R704C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 3280 CN DUPLICATE R705C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 3281 CN DUPLICATE R705C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 31200.0 ! 3282 CN DUPLICATE R705C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 18500.0 ! 3283 CN DUPLICATE R705C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 17000.0 ! 3284 CN DUPLICATE R707C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3285 CN DUPLICATE R707C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3286 CN DUPLICATE R707C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 3287 CN DUPLICATE R707C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 21000.0 ! 3288 CN DUPLICATE R721C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 3289 CN DUPLICATE R721C6H12CO5H=>R2OH+C6H11OCOOOH 2.9E+0008 1.000 20000.0 ! 3290 CN DUPLICATE R721C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 3291 CN DUPLICATE R721C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0007 1.000 21000.0 ! 3292 CN DUPLICATE R727C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 30000.0 ! 3293 CN DUPLICATE R727C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.9E+0008 1.000 29300.0 ! 3294 CN DUPLICATE R727C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 27800.0 ! 3295 CN DUPLICATE R727C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3296 CN DUPLICATE R727C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3297 CN DUPLICATE R727C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 3298 CN DUPLICATE R727C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.5E+0007 1.000 24000.0 ! 3299 CN DUPLICATE R728C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 27500.0 ! 3300 CN DUPLICATE R728C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.7E+0008 1.000 22500.0 ! 3301 CN DUPLICATE R728C5H8OOOOHZ=>R2OH+C4H7COOOHZ 4.9E+0007 1.000 26300.0 ! 3302 CN DUPLICATE R728C5H8OOOOHZ=>R2OH+C4H7COOOHZ 9.9E+0007 1.000 23800.0 ! 3303 CN DUPLICATE R729C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 3304 CN DUPLICATE R729C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 20000.0 ! 3305 CN DUPLICATE R729C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 19500.0 ! 3306 CN DUPLICATE R729C6H10OOOOHZ=>R2OH+C5H9COOOHZ 8.5E+0006 1.000 25300.0 ! 3307 CN DUPLICATE R730C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3308 CN DUPLICATE R730C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3309 CN DUPLICATE R730C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.5E+0008 1.000 25000.0 ! 3310 CN DUPLICATE R730C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3311 CN DUPLICATE R730C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 22500.0 ! 3312 CN DUPLICATE R730C8H14OOOOHZ=>R2OH+C7H13COOOHZ 4.9E+0007 1.000 26300.0 ! 3313 CN DUPLICATE R730C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 23800.0 ! 3314 CN DUPLICATE R731C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 27500.0 ! 3315 CN DUPLICATE R731C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 25000.0 ! 3316 CN DUPLICATE R731C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 19500.0 ! 3317 CN DUPLICATE R731C6H10OOOOHZ=>R2OH+C5H9COOOHZ 8.5E+0006 1.000 25300.0 ! 3318 CN DUPLICATE R732C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 3319 CN DUPLICATE R732C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 3320 CN DUPLICATE R732C6H12CO5H=>R2OH+C6H11OCOOOH 4.9E+0007 1.000 17000.0 ! 3321 CN DUPLICATE R732C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0007 1.000 21000.0 ! 3322 CN DUPLICATE R737C3H6OOOOH=>R2OH+C2H5COOOH 3.3E+0009 1.000 32500.0 ! 3323 CN DUPLICATE R737C3H6OOOOH=>R2OH+C2H5COOOH 8.6E+0008 1.000 28000.0 ! 3324 CN DUPLICATE R738C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3325 CN DUPLICATE R738C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.6E+0008 1.000 28000.0 ! 3326 CN DUPLICATE R738C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3327 CN DUPLICATE R738C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3328 CN DUPLICATE R738C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 19500.0 ! 3329 CN DUPLICATE R738C8H14OOOOHZ=>R2OH+C7H13COOOHZ 8.5E+0006 1.000 25300.0 ! 3330 CN DUPLICATE R739C4H8OOOOH=>R2OH+C3H7COOOH 1.7E+0009 1.000 27500.0 ! 3331 CN DUPLICATE R739C4H8OOOOH=>R2OH+C3H7COOOH 5.7E+0008 1.000 25000.0 ! 3332 CN DUPLICATE R739C4H8OOOOH=>R2OH+C3H7COOOH 1.5E+0008 1.000 25000.0 ! 3333 CN DUPLICATE R741C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 3334 CN DUPLICATE R741C5H10OOOOH=>R2OH+C4H9COOOH 2.9E+0008 1.000 20000.0 ! 3335 CN DUPLICATE R741C5H10OOOOH=>R2OH+C4H9COOOH 9.9E+0007 1.000 22000.0 ! 3336 CN DUPLICATE R741C5H10OOOOH=>R2OH+C4H9COOOH 2.5E+0007 1.000 24000.0 ! 3337 CN DUPLICATE R744C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 3338 CN DUPLICATE R744C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 3339 CN DUPLICATE R744C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 3340 CN DUPLICATE R744C6H12CO5H=>R2OH+C6H11OCOOOH 8.5E+0006 1.000 16000.0 ! 3341 CN DUPLICATE R750C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.0E+0009 1.000 35500.0 ! 3342 CN DUPLICATE R750C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 3343 CN DUPLICATE R750C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 3344 CN DUPLICATE R750C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 3345 CN DUPLICATE R750C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0007 1.000 18500.0 ! 3346 CN DUPLICATE R751C3H6OOOOH=>R2OH+C2H5COOOH 1.7E+0009 1.000 27500.0 ! 3347 CN DUPLICATE R751C3H6OOOOH=>R2OH+C2H5COOOH 8.6E+0008 1.000 28000.0 ! 3348 CN DUPLICATE R752C4H8OOOOH=>R2OH+C3H7COOOH 3.3E+0009 1.000 32500.0 ! 3349 CN DUPLICATE R752C4H8OOOOH=>R2OH+C3H7COOOH 2.9E+0008 1.000 20000.0 ! 3350 CN DUPLICATE R752C4H8OOOOH=>R2OH+C3H7COOOH 1.5E+0008 1.000 25000.0 ! 3351 CN DUPLICATE R753C8H16OOOOH=>R2OH+C8KET27 5.0E+0009 1.000 35500.0 ! 3352 CN DUPLICATE R753C8H16OOOOH=>R2OH+C8KET27 1.7E+0007 1.000 32500.0 ! 3353 CN DUPLICATE R753C8H16OOOOH=>R2OH+C8KET27 9.9E+0007 1.000 25000.0 ! 3354 CN DUPLICATE R753C8H16OOOOH=>R2OH+C8KET27 9.9E+0007 1.000 22000.0 ! 3355 CN DUPLICATE R753C8H16OOOOH=>R2OH+C8KET27 1.7E+0007 1.000 21000.0 ! 3356 CN DUPLICATE R754C8H16OOOOH=>R2OH+C8KET28 3.3E+0009 1.000 32500.0 ! 3357 CN DUPLICATE R754C8H16OOOOH=>R2OH+C8KET28 5.7E+0008 1.000 25000.0 ! 3358 CN DUPLICATE R754C8H16OOOOH=>R2OH+C8KET28 9.9E+0007 1.000 22000.0 ! 3359 CN DUPLICATE R754C8H16OOOOH=>R2OH+C8KET28 1.7E+0007 1.000 21000.0 ! 3360 CN DUPLICATE !R755C8H16OOOOH=>R2OH+C7H15COOOH 5.0E+0009 1.000 35500.0 ! 3361 CN ! DUPLICATE !R755C8H16OOOOH=>R2OH+C7H15COOOH 3.3E+0009 1.000 32500.0 ! 3362 CN ! DUPLICATE !R755C8H16OOOOH=>R2OH+C7H15COOOH 5.7E+0008 1.000 25000.0 ! 3363 CN ! DUPLICATE !R755C8H16OOOOH=>R2OH+C7H15COOOH 9.9E+0007 1.000 22000.0 ! 3364 CN ! DUPLICATE !R755C8H16OOOOH=>R2OH+C7H15COOOH 1.7E+0007 1.000 21000.0 ! 3365 CN ! DUPLICATE R756C8H16OOOOH=>R2OH+C8KET43 3.3E+0009 1.000 32500.0 ! 3366 CN DUPLICATE R756C8H16OOOOH=>R2OH+C8KET43 8.6E+0008 1.000 28000.0 ! 3367 CN DUPLICATE R756C8H16OOOOH=>R2OH+C8KET43 1.7E+0009 1.000 27500.0 ! 3368 CN DUPLICATE R756C8H16OOOOH=>R2OH+C8KET43 5.7E+0008 1.000 25000.0 ! 3369 CN DUPLICATE R756C8H16OOOOH=>R2OH+C8KET43 9.9E+0007 1.000 22000.0 ! 3370 CN DUPLICATE R756C8H16OOOOH=>R2OH+C8KET43 1.7E+0007 1.000 21000.0 ! 3371 CN DUPLICATE R757C8H16OOOOH=>R2OH+C8KET42 5.0E+0009 1.000 35500.0 ! 3372 CN DUPLICATE R757C8H16OOOOH=>R2OH+C8KET42 3.3E+0009 1.000 32500.0 ! 3373 CN DUPLICATE R757C8H16OOOOH=>R2OH+C8KET42 2.9E+0008 1.000 20000.0 ! 3374 CN DUPLICATE R757C8H16OOOOH=>R2OH+C8KET42 9.9E+0007 1.000 22000.0 ! 3375 CN DUPLICATE R757C8H16OOOOH=>R2OH+C8KET42 1.7E+0007 1.000 21000.0 ! 3376 CN DUPLICATE R758C8H16OOOOH=>R2OH+C8KET41 3.3E+0009 1.000 32500.0 ! 3377 CN DUPLICATE R758C8H16OOOOH=>R2OH+C8KET41 5.7E+0008 1.000 25000.0 ! 3378 CN DUPLICATE R758C8H16OOOOH=>R2OH+C8KET41 4.9E+0007 1.000 17000.0 ! 3379 CN DUPLICATE R758C8H16OOOOH=>R2OH+C8KET41 1.7E+0007 1.000 21000.0 ! 3380 CN DUPLICATE R760C8H16OOOOH=>R2OH+C8KET45 5.7E+0008 1.000 32500.0 ! 3381 CN DUPLICATE R760C8H16OOOOH=>R2OH+C8KET45 9.9E+0007 1.000 25000.0 ! 3382 CN DUPLICATE R760C8H16OOOOH=>R2OH+C8KET45 2.5E+0007 1.000 25000.0 ! 3383 CN DUPLICATE R760C8H16OOOOH=>R2OH+C8KET45 1.7E+0009 1.000 27500.0 ! 3384 CN DUPLICATE R760C8H16OOOOH=>R2OH+C8KET45 5.7E+0008 1.000 25000.0 ! 3385 CN DUPLICATE R760C8H16OOOOH=>R2OH+C8KET45 9.9E+0007 1.000 22000.0 ! 3386 CN DUPLICATE R760C8H16OOOOH=>R2OH+C8KET45 2.5E+0007 1.000 24000.0 ! 3387 CN DUPLICATE R761C8H16OOOOH=>R2OH+C8KET46 3.3E+0009 1.000 32500.0 ! 3388 CN DUPLICATE R761C8H16OOOOH=>R2OH+C8KET46 8.6E+0008 1.000 28000.0 ! 3389 CN DUPLICATE R761C8H16OOOOH=>R2OH+C8KET46 3.3E+0009 1.000 32500.0 ! 3390 CN DUPLICATE R761C8H16OOOOH=>R2OH+C8KET46 2.9E+0008 1.000 20000.0 ! 3391 CN DUPLICATE R761C8H16OOOOH=>R2OH+C8KET46 9.9E+0007 1.000 22000.0 ! 3392 CN DUPLICATE R761C8H16OOOOH=>R2OH+C8KET46 1.7E+0007 1.000 21000.0 ! 3393 CN DUPLICATE R762C8H16OOOOH=>R2OH+C8KET47 5.0E+0009 1.000 35500.0 ! 3394 CN DUPLICATE R762C8H16OOOOH=>R2OH+C8KET47 3.3E+0009 1.000 32500.0 ! 3395 CN DUPLICATE R762C8H16OOOOH=>R2OH+C8KET47 5.7E+0008 1.000 25000.0 ! 3396 CN DUPLICATE R762C8H16OOOOH=>R2OH+C8KET47 4.9E+0007 1.000 17000.0 ! 3397 CN DUPLICATE R762C8H16OOOOH=>R2OH+C8KET47 1.7E+0007 1.000 21000.0 ! 3398 CN DUPLICATE R763C8H16OOOOH=>R2OH+C8KET48 3.3E+0009 1.000 32500.0 ! 3399 CN DUPLICATE R763C8H16OOOOH=>R2OH+C8KET48 5.7E+0008 1.000 25000.0 ! 3400 CN DUPLICATE R763C8H16OOOOH=>R2OH+C8KET48 9.9E+0007 1.000 22000.0 ! 3401 CN DUPLICATE R763C8H16OOOOH=>R2OH+C8KET48 8.5E+0006 1.000 16000.0 ! 3402 CN DUPLICATE R764C8H16OOOOH=>R2OH+C8KET32 5.0E+0009 1.000 35500.0 ! 3403 CN DUPLICATE R764C8H16OOOOH=>R2OH+C8KET32 1.7E+0009 1.000 27500.0 ! 3404 CN DUPLICATE R764C8H16OOOOH=>R2OH+C8KET32 5.7E+0008 1.000 25000.0 ! 3405 CN DUPLICATE R764C8H16OOOOH=>R2OH+C8KET32 9.9E+0007 1.000 22000.0 ! 3406 CN DUPLICATE R764C8H16OOOOH=>R2OH+C8KET32 1.7E+0007 1.000 21000.0 ! 3407 CN DUPLICATE R766C8H16OOOOH=>R2OH+C8KET31 3.3E+0009 1.000 32500.0 ! 3408 CN DUPLICATE R766C8H16OOOOH=>R2OH+C8KET31 2.9E+0008 1.000 20000.0 ! 3409 CN DUPLICATE R766C8H16OOOOH=>R2OH+C8KET31 9.9E+0007 1.000 22000.0 ! 3410 CN DUPLICATE R766C8H16OOOOH=>R2OH+C8KET31 1.7E+0007 1.000 21000.0 ! 3411 CN DUPLICATE R767C8H16OOOOH=>R2OH+C8KET34 1.7E+0009 1.000 27500.0 ! 3412 CN DUPLICATE R767C8H16OOOOH=>R2OH+C8KET34 5.7E+0008 1.000 25000.0 ! 3413 CN DUPLICATE R767C8H16OOOOH=>R2OH+C8KET34 1.5E+0008 1.000 25000.0 ! 3414 CN DUPLICATE R767C8H16OOOOH=>R2OH+C8KET34 3.3E+0009 1.000 32500.0 ! 3415 CN DUPLICATE R767C8H16OOOOH=>R2OH+C8KET34 5.7E+0008 1.000 25000.0 ! 3416 CN DUPLICATE R767C8H16OOOOH=>R2OH+C8KET34 9.9E+0007 1.000 22000.0 ! 3417 CN DUPLICATE R767C8H16OOOOH=>R2OH+C8KET34 2.5E+0007 1.000 24000.0 ! 3418 CN DUPLICATE R768C8H16OOOOH=>R2OH+C8KET35 3.3E+0009 1.000 32500.0 ! 3419 CN DUPLICATE R768C8H16OOOOH=>R2OH+C8KET35 5.7E+0008 1.000 25000.0 ! 3420 CN DUPLICATE R768C8H16OOOOH=>R2OH+C8KET35 1.5E+0008 1.000 25000.0 ! 3421 CN DUPLICATE R768C8H16OOOOH=>R2OH+C8KET35 3.3E+0009 1.000 32500.0 ! 3422 CN DUPLICATE R768C8H16OOOOH=>R2OH+C8KET35 2.9E+0008 1.000 20000.0 ! 3423 CN DUPLICATE R768C8H16OOOOH=>R2OH+C8KET35 9.9E+0007 1.000 22000.0 ! 3424 CN DUPLICATE R768C8H16OOOOH=>R2OH+C8KET35 2.5E+0007 1.000 24000.0 ! 3425 CN DUPLICATE R769C8H16OOOOH=>R2OH+C8KET36 1.7E+0007 1.000 32500.0 ! 3426 CN DUPLICATE R769C8H16OOOOH=>R2OH+C8KET36 8.6E+0008 1.000 28000.0 ! 3427 CN DUPLICATE R769C8H16OOOOH=>R2OH+C8KET36 5.7E+0008 1.000 32500.0 ! 3428 CN DUPLICATE R769C8H16OOOOH=>R2OH+C8KET36 5.7E+0008 1.000 25000.0 ! 3429 CN DUPLICATE R769C8H16OOOOH=>R2OH+C8KET36 4.9E+0007 1.000 17000.0 ! 3430 CN DUPLICATE R769C8H16OOOOH=>R2OH+C8KET36 1.7E+0007 1.000 21000.0 ! 3431 CN DUPLICATE R771C8H16OOOOH=>R2OH+C8KET37 5.0E+0009 1.000 35500.0 ! 3432 CN DUPLICATE R771C8H16OOOOH=>R2OH+C8KET37 3.3E+0009 1.000 32500.0 ! 3433 CN DUPLICATE R771C8H16OOOOH=>R2OH+C8KET37 5.7E+0008 1.000 25000.0 ! 3434 CN DUPLICATE R771C8H16OOOOH=>R2OH+C8KET37 9.9E+0007 1.000 22000.0 ! 3435 CN DUPLICATE R771C8H16OOOOH=>R2OH+C8KET37 8.5E+0006 1.000 16000.0 ! 3436 CN DUPLICATE R772C8H16OOOOH=>R2OH+C8KET16 3.3E+0009 1.000 32500.0 ! 3437 CN DUPLICATE R772C8H16OOOOH=>R2OH+C8KET16 8.6E+0008 1.000 28000.0 ! 3438 CN DUPLICATE R772C8H16OOOOH=>R2OH+C8KET16 3.3E+0009 1.000 32500.0 ! 3439 CN DUPLICATE R772C8H16OOOOH=>R2OH+C8KET16 5.7E+0008 1.000 25000.0 ! 3440 CN DUPLICATE R772C8H16OOOOH=>R2OH+C8KET16 9.9E+0007 1.000 22000.0 ! 3441 CN DUPLICATE R772C8H16OOOOH=>R2OH+C8KET16 1.7E+0007 1.000 21000.0 ! 3442 CN DUPLICATE R773C8H16OOOOH=>R2OH+C8KET17 5.0E+0009 1.000 35500.0 ! 3443 CN DUPLICATE R773C8H16OOOOH=>R2OH+C8KET17 3.3E+0009 1.000 32500.0 ! 3444 CN DUPLICATE R773C8H16OOOOH=>R2OH+C8KET17 5.7E+0008 1.000 25000.0 ! 3445 CN DUPLICATE R773C8H16OOOOH=>R2OH+C8KET17 9.9E+0007 1.000 22000.0 ! 3446 CN DUPLICATE R773C8H16OOOOH=>R2OH+C8KET17 1.7E+0007 1.000 21000.0 ! 3447 CN DUPLICATE R774C8H16OOOOH=>R2OH+C8KET18 3.3E+0009 1.000 32500.0 ! 3448 CN DUPLICATE R774C8H16OOOOH=>R2OH+C8KET18 5.7E+0008 1.000 25000.0 ! 3449 CN DUPLICATE R774C8H16OOOOH=>R2OH+C8KET18 1.7E+0007 1.000 22000.0 ! 3450 CN DUPLICATE R774C8H16OOOOH=>R2OH+C8KET18 1.7E+0007 1.000 21000.0 ! 3451 CN DUPLICATE !R775C8H16OOOOH=>R2OH+C7H15COOOH 3.3E+0009 1.000 32500.0 ! 3452 CN ! DUPLICATE !R775C8H16OOOOH=>R2OH+C7H15COOOH 5.7E+0008 1.000 25000.0 ! 3453 CN ! DUPLICATE !R775C8H16OOOOH=>R2OH+C7H15COOOH 9.9E+0007 1.000 22000.0 ! 3454 CN ! DUPLICATE !R775C8H16OOOOH=>R2OH+C7H15COOOH 1.7E+0007 1.000 21000.0 ! 3455 CN ! DUPLICATE R776C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3456 CN DUPLICATE R776C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3457 CN DUPLICATE R776C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3458 CN DUPLICATE R776C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3459 CN DUPLICATE R776C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3460 CN DUPLICATE R778C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3461 CN DUPLICATE R778C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3462 CN DUPLICATE R778C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3463 CN DUPLICATE R778C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3464 CN DUPLICATE R780C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 30500.0 ! 3465 CN DUPLICATE !R780C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3466 CN ! DUPLICATE R780C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3467 CN DUPLICATE R780C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3468 CN DUPLICATE R780C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3469 CN DUPLICATE R780C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3470 CN DUPLICATE R781C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 1.7E+0009 1.000 27500.0 ! 3471 CN DUPLICATE R781C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 5.7E+0008 1.000 23000.0 ! 3472 CN DUPLICATE !R781C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 0.0E+0000 1.000 23600.0 ! 3473 CN ! DUPLICATE R783C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 3474 CN DUPLICATE R783C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 2.9E+0008 1.000 20000.0 ! 3475 CN DUPLICATE R783C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 9.9E+0007 1.000 20000.0 ! 3476 CN DUPLICATE !R783C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 22600.0 ! 3477 CN ! DUPLICATE R786C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3478 CN DUPLICATE R786C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3479 CN DUPLICATE R786C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3480 CN DUPLICATE R786C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3481 CN DUPLICATE R786C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3482 CN DUPLICATE R786C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3483 CN DUPLICATE R787C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3484 CN DUPLICATE R787C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3485 CN DUPLICATE R787C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3486 CN DUPLICATE R787C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3487 CN DUPLICATE R787C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3488 CN DUPLICATE R789C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3489 CN DUPLICATE R789C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3490 CN DUPLICATE R789C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3491 CN DUPLICATE R789C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3492 CN DUPLICATE R792C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3493 CN DUPLICATE R792C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3494 CN DUPLICATE R792C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 3495 CN DUPLICATE !R792C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 3496 CN ! DUPLICATE R792C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3497 CN DUPLICATE R792C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3498 CN DUPLICATE R792C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3499 CN DUPLICATE R792C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3500 CN DUPLICATE R793C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3501 CN DUPLICATE R793C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 3502 CN DUPLICATE !R793C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 3503 CN ! DUPLICATE R793C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3504 CN DUPLICATE R793C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3505 CN DUPLICATE R793C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3506 CN DUPLICATE R793C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3507 CN DUPLICATE R794C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 30500.0 ! 3508 CN DUPLICATE !R794C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3509 CN ! DUPLICATE R794C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 32500.0 ! 3510 CN DUPLICATE R794C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3511 CN DUPLICATE R794C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3512 CN DUPLICATE R794C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3513 CN DUPLICATE !R795C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 3514 CN ! DUPLICATE R795C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3515 CN DUPLICATE R795C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3516 CN DUPLICATE R795C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3517 CN DUPLICATE R795C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3518 CN DUPLICATE R802C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3519 CN DUPLICATE R802C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3520 CN DUPLICATE R802C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3521 CN DUPLICATE R802C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3522 CN DUPLICATE R802C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3523 CN DUPLICATE R804C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3524 CN DUPLICATE R804C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3525 CN DUPLICATE R804C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3526 CN DUPLICATE R804C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3527 CN DUPLICATE R806C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3528 CN DUPLICATE R806C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3529 CN DUPLICATE R806C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 3530 CN DUPLICATE R806C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3531 CN DUPLICATE R806C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3532 CN DUPLICATE R806C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3533 CN DUPLICATE R806C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 3534 CN DUPLICATE R807C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3535 CN DUPLICATE R807C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3536 CN DUPLICATE R807C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 3537 CN DUPLICATE !R807C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 3538 CN ! DUPLICATE R807C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3539 CN DUPLICATE R807C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3540 CN DUPLICATE R807C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3541 CN DUPLICATE R807C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3542 CN DUPLICATE R808C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3543 CN DUPLICATE R808C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 3544 CN DUPLICATE !R808C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 3545 CN ! DUPLICATE R808C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3546 CN DUPLICATE R808C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3547 CN DUPLICATE R808C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3548 CN DUPLICATE R808C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3549 CN DUPLICATE R810C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 30500.0 ! 3550 CN DUPLICATE !R810C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3551 CN ! DUPLICATE R810C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3552 CN DUPLICATE R810C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3553 CN DUPLICATE R810C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3554 CN DUPLICATE R810C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3555 CN DUPLICATE R821C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3556 CN DUPLICATE R821C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3557 CN DUPLICATE R821C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3558 CN DUPLICATE R821C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3559 CN DUPLICATE R823C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3560 CN DUPLICATE R823C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3561 CN DUPLICATE R823C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3562 CN DUPLICATE R823C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3563 CN DUPLICATE R823C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3564 CN DUPLICATE R823C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3565 CN DUPLICATE R825C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3566 CN DUPLICATE R825C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3567 CN DUPLICATE R825C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 3568 CN DUPLICATE R825C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3569 CN DUPLICATE R825C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3570 CN DUPLICATE R825C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3571 CN DUPLICATE R825C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 3572 CN DUPLICATE R826C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3573 CN DUPLICATE R826C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3574 CN DUPLICATE R826C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 3575 CN DUPLICATE !R826C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 3576 CN ! DUPLICATE R826C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3577 CN DUPLICATE R826C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3578 CN DUPLICATE R826C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3579 CN DUPLICATE R826C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3580 CN DUPLICATE R828C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3581 CN DUPLICATE R828C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 3582 CN DUPLICATE !R828C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 3583 CN ! DUPLICATE R828C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3584 CN DUPLICATE R828C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3585 CN DUPLICATE R828C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3586 CN DUPLICATE R828C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3587 CN DUPLICATE R843C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 30500.0 ! 3588 CN DUPLICATE R843C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3589 CN DUPLICATE R843C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3590 CN DUPLICATE R843C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3591 CN DUPLICATE R843C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3592 CN DUPLICATE R847C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3593 CN DUPLICATE R847C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 3594 CN DUPLICATE R847C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3595 CN DUPLICATE R847C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3596 CN DUPLICATE R847C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3597 CN DUPLICATE R847C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3598 CN DUPLICATE R848C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3599 CN DUPLICATE R848C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3600 CN DUPLICATE R848C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 3601 CN DUPLICATE R848C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3602 CN DUPLICATE R848C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3603 CN DUPLICATE R848C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3604 CN DUPLICATE R848C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 3605 CN DUPLICATE R850C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3606 CN DUPLICATE R850C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3607 CN DUPLICATE R850C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 3608 CN DUPLICATE !R850C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 3609 CN ! DUPLICATE R850C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3610 CN DUPLICATE R850C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3611 CN DUPLICATE R850C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3612 CN DUPLICATE R850C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 3613 CN DUPLICATE R860C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3614 CN DUPLICATE R860C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3615 CN DUPLICATE R860C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3616 CN DUPLICATE R860C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3617 CN DUPLICATE R860C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3618 CN DUPLICATE R860C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3619 CN DUPLICATE R862C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3620 CN DUPLICATE R862C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3621 CN DUPLICATE R862C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3622 CN DUPLICATE R862C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3623 CN DUPLICATE R862C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3624 CN DUPLICATE R864C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3625 CN DUPLICATE R864C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3626 CN DUPLICATE R864C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 22000.0 ! 3627 CN DUPLICATE R864C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3628 CN DUPLICATE R866C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3629 CN DUPLICATE !R866C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3630 CN ! DUPLICATE R866C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3631 CN DUPLICATE R866C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3632 CN DUPLICATE R866C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3633 CN DUPLICATE R867C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 1.7E+0009 1.000 27500.0 ! 3634 CN DUPLICATE !R867C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 0.0E+0000 1.000 26600.0 ! 3635 CN ! DUPLICATE R867C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 5.7E+0008 1.000 23000.0 ! 3636 CN DUPLICATE R868C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3637 CN DUPLICATE !R868C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3638 CN ! DUPLICATE R868C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3639 CN DUPLICATE R868C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3640 CN DUPLICATE R868C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3641 CN DUPLICATE R868C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3642 CN DUPLICATE R868C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3643 CN DUPLICATE !R869C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 3644 CN ! DUPLICATE R869C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3645 CN DUPLICATE R869C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3646 CN DUPLICATE R869C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3647 CN DUPLICATE R869C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3648 CN DUPLICATE R869C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3649 CN DUPLICATE R870C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3650 CN DUPLICATE !R870C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3651 CN ! DUPLICATE R870C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3652 CN DUPLICATE R870C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3653 CN DUPLICATE R870C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3654 CN DUPLICATE R872C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3655 CN DUPLICATE R872C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3656 CN DUPLICATE R872C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 3657 CN DUPLICATE R872C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3658 CN DUPLICATE R872C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3659 CN DUPLICATE R872C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3660 CN DUPLICATE !R872C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 3661 CN ! DUPLICATE R872C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3662 CN DUPLICATE R873C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3663 CN DUPLICATE R873C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3664 CN DUPLICATE R873C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3665 CN DUPLICATE R873C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3666 CN DUPLICATE R873C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3667 CN DUPLICATE R873C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3668 CN DUPLICATE R875C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3669 CN DUPLICATE R875C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3670 CN DUPLICATE R875C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3671 CN DUPLICATE R875C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3672 CN DUPLICATE R875C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3673 CN DUPLICATE R877C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3674 CN DUPLICATE R877C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3675 CN DUPLICATE R877C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3676 CN DUPLICATE R877C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3677 CN DUPLICATE R887C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3678 CN DUPLICATE R887C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3679 CN DUPLICATE R887C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3680 CN DUPLICATE R887C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3681 CN DUPLICATE R887C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3682 CN DUPLICATE R887C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3683 CN DUPLICATE R888C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3684 CN DUPLICATE R888C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3685 CN DUPLICATE R888C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3686 CN DUPLICATE R888C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3687 CN DUPLICATE R888C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3688 CN DUPLICATE R890C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3689 CN DUPLICATE R890C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3690 CN DUPLICATE R890C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3691 CN DUPLICATE R890C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3692 CN DUPLICATE R893C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3693 CN DUPLICATE R893C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3694 CN DUPLICATE !R893C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 3695 CN ! DUPLICATE R893C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 3696 CN DUPLICATE R893C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3697 CN DUPLICATE R893C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3698 CN DUPLICATE R893C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3699 CN DUPLICATE R893C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3700 CN DUPLICATE R894C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3701 CN DUPLICATE !R894C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3702 CN ! DUPLICATE R894C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3703 CN DUPLICATE R894C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3704 CN DUPLICATE R894C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3705 CN DUPLICATE R894C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3706 CN DUPLICATE R894C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3707 CN DUPLICATE !R895C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 3708 CN ! DUPLICATE R895C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3709 CN DUPLICATE R895C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3710 CN DUPLICATE R895C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3711 CN DUPLICATE R895C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3712 CN DUPLICATE R895C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3713 CN DUPLICATE R896C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3714 CN DUPLICATE !R896C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3715 CN ! DUPLICATE R896C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3716 CN DUPLICATE R896C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3717 CN DUPLICATE R896C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3718 CN DUPLICATE R903C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3719 CN DUPLICATE R903C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3720 CN DUPLICATE R903C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3721 CN DUPLICATE R903C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3722 CN DUPLICATE R903C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3723 CN DUPLICATE R905C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3724 CN DUPLICATE R905C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3725 CN DUPLICATE R905C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3726 CN DUPLICATE R905C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3727 CN DUPLICATE R907C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3728 CN DUPLICATE R907C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3729 CN DUPLICATE R907C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 3730 CN DUPLICATE R907C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3731 CN DUPLICATE R907C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3732 CN DUPLICATE R907C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3733 CN DUPLICATE !R907C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 3734 CN ! DUPLICATE R907C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3735 CN DUPLICATE R908C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3736 CN DUPLICATE R908C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3737 CN DUPLICATE !R908C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 3738 CN ! DUPLICATE R908C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 3739 CN DUPLICATE R908C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3740 CN DUPLICATE R908C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3741 CN DUPLICATE R908C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3742 CN DUPLICATE R908C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3743 CN DUPLICATE R909C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3744 CN DUPLICATE !R909C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3745 CN ! DUPLICATE R909C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3746 CN DUPLICATE R909C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3747 CN DUPLICATE R909C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3748 CN DUPLICATE R909C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3749 CN DUPLICATE R909C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3750 CN DUPLICATE !R911C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 3751 CN ! DUPLICATE R911C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 3752 CN DUPLICATE R911C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3753 CN DUPLICATE R911C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3754 CN DUPLICATE R911C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3755 CN DUPLICATE R911C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3756 CN DUPLICATE R922C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3757 CN DUPLICATE R922C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3758 CN DUPLICATE R922C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3759 CN DUPLICATE R922C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 3760 CN DUPLICATE R924C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3761 CN DUPLICATE R924C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3762 CN DUPLICATE R924C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3763 CN DUPLICATE R924C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3764 CN DUPLICATE R924C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3765 CN DUPLICATE R924C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3766 CN DUPLICATE R926C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3767 CN DUPLICATE R926C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3768 CN DUPLICATE R926C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 3769 CN DUPLICATE R926C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3770 CN DUPLICATE R926C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3771 CN DUPLICATE R926C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3772 CN DUPLICATE !R926C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 3773 CN ! DUPLICATE R926C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3774 CN DUPLICATE R927C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3775 CN DUPLICATE R927C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 3776 CN DUPLICATE !R927C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 3777 CN ! DUPLICATE R927C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 3778 CN DUPLICATE R927C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3779 CN DUPLICATE R927C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3780 CN DUPLICATE R927C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 3781 CN DUPLICATE R927C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 3782 CN DUPLICATE R929C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 3783 CN DUPLICATE !R929C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 3784 CN ! DUPLICATE R929C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 3785 CN DUPLICATE R929C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 3786 CN DUPLICATE R929C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 3787 CN DUPLICATE R929C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 3788 CN DUPLICATE R929C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 3789 CN DUPLICATE R937C7H14OOOOH=>R2OH+C6H13COOOH 5.0E+0009 1.000 35500.0 ! 3790 CN DUPLICATE R937C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3791 CN DUPLICATE R937C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3792 CN DUPLICATE R937C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3793 CN DUPLICATE R937C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3794 CN DUPLICATE R938C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3795 CN DUPLICATE R938C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 25000.0 ! 3796 CN DUPLICATE R938C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3797 CN DUPLICATE R938C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3798 CN DUPLICATE R939C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3799 CN DUPLICATE R939C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3800 CN DUPLICATE R939C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3801 CN DUPLICATE R939C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3802 CN DUPLICATE R940C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3803 CN DUPLICATE R940C7H14OOOOH=>R2OH+C6H13COOOH 8.6E+0008 1.000 28000.0 ! 3804 CN DUPLICATE R940C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0009 1.000 27500.0 ! 3805 CN DUPLICATE R940C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3806 CN DUPLICATE R940C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3807 CN DUPLICATE R940C7H14OOOOH=>R2OH+C6H13COOOH 2.5E+0007 1.000 24000.0 ! 3808 CN DUPLICATE R941C7H14OOOOH=>R2OH+C6H13COOOH 5.0E+0009 1.000 35500.0 ! 3809 CN DUPLICATE R941C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3810 CN DUPLICATE R941C7H14OOOOH=>R2OH+C6H13COOOH 2.9E+0008 1.000 20000.0 ! 3811 CN DUPLICATE R941C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3812 CN DUPLICATE R941C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3813 CN DUPLICATE R942C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3814 CN DUPLICATE R942C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3815 CN DUPLICATE R942C7H14OOOOH=>R2OH+C6H13COOOH 4.9E+0007 1.000 17000.0 ! 3816 CN DUPLICATE R942C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3817 CN DUPLICATE R944C7H14OOOOH=>R2OH+C6H13COOOH 5.0E+0009 1.000 35500.0 ! 3818 CN DUPLICATE R944C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0009 1.000 27500.0 ! 3819 CN DUPLICATE R944C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3820 CN DUPLICATE R944C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3821 CN DUPLICATE R944C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3822 CN DUPLICATE R945C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3823 CN DUPLICATE R945C7H14OOOOH=>R2OH+C6H13COOOH 2.9E+0008 1.000 20000.0 ! 3824 CN DUPLICATE R945C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3825 CN DUPLICATE R945C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3826 CN DUPLICATE R946C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3827 CN DUPLICATE R946C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3828 CN DUPLICATE R946C7H14OOOOH=>R2OH+C6H13COOOH 1.5E+0008 1.000 25000.0 ! 3829 CN DUPLICATE R946C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0009 1.000 27500.0 ! 3830 CN DUPLICATE R946C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3831 CN DUPLICATE R946C7H14OOOOH=>R2OH+C6H13COOOH 1.5E+0008 1.000 25000.0 ! 3832 CN DUPLICATE R947C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 32500.0 ! 3833 CN DUPLICATE R947C7H14OOOOH=>R2OH+C6H13COOOH 2.5E+0007 1.000 28000.0 ! 3834 CN DUPLICATE R947C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3835 CN DUPLICATE R947C7H14OOOOH=>R2OH+C6H13COOOH 2.9E+0008 1.000 20000.0 ! 3836 CN DUPLICATE R947C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3837 CN DUPLICATE R947C7H14OOOOH=>R2OH+C6H13COOOH 2.5E+0007 1.000 24000.0 ! 3838 CN DUPLICATE R948C7H14OOOOH=>R2OH+C6H13COOOH 5.0E+0009 1.000 35500.0 ! 3839 CN DUPLICATE R948C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3840 CN DUPLICATE R948C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3841 CN DUPLICATE R948C7H14OOOOH=>R2OH+C6H13COOOH 4.9E+0007 1.000 17000.0 ! 3842 CN DUPLICATE R948C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3843 CN DUPLICATE R950C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3844 CN DUPLICATE R950C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3845 CN DUPLICATE R950C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3846 CN DUPLICATE R950C7H14OOOOH=>R2OH+C6H13COOOH 8.5E+0006 1.000 16000.0 ! 3847 CN DUPLICATE R951C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0009 1.000 27500.0 ! 3848 CN DUPLICATE R951C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3849 CN DUPLICATE R951C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3850 CN DUPLICATE R951C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 3851 CN DUPLICATE R953C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0009 1.000 27500.0 ! 3852 CN DUPLICATE R953C7H14OOOOH=>R2OH+C6H13COOOH 8.6E+0008 1.000 28000.0 ! 3853 CN DUPLICATE R953C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3854 CN DUPLICATE R953C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3855 CN DUPLICATE R953C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3856 CN DUPLICATE R953C7H14OOOOH=>R2OH+C6H13COOOH 2.5E+0007 1.000 24000.0 ! 3857 CN DUPLICATE R954C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3858 CN DUPLICATE R954C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3859 CN DUPLICATE R954C7H14OOOOH=>R2OH+C6H13COOOH 1.5E+0008 1.000 25000.0 ! 3860 CN DUPLICATE R954C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3861 CN DUPLICATE R954C7H14OOOOH=>R2OH+C6H13COOOH 2.9E+0008 1.000 20000.0 ! 3862 CN DUPLICATE R954C7H14OOOOH=>R2OH+C6H13COOOH 1.5E+0008 1.000 25000.0 ! 3863 CN DUPLICATE R955C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3864 CN DUPLICATE R955C7H14OOOOH=>R2OH+C6H13COOOH 8.6E+0008 1.000 28000.0 ! 3865 CN DUPLICATE R955C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 3866 CN DUPLICATE R955C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3867 CN DUPLICATE R955C7H14OOOOH=>R2OH+C6H13COOOH 4.9E+0007 1.000 17000.0 ! 3868 CN DUPLICATE R955C7H14OOOOH=>R2OH+C6H13COOOH 2.5E+0007 1.000 24000.0 ! 3869 CN DUPLICATE R957C7H14OOOOH=>R2OH+C6H13COOOH 5.0E+0009 1.000 35500.0 ! 3870 CN DUPLICATE R957C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 32500.0 ! 3871 CN DUPLICATE R957C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 3872 CN DUPLICATE R957C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 3873 CN DUPLICATE R957C7H14OOOOH=>R2OH+C6H13COOOH 8.5E+0006 1.000 16000.0 ! 3874 CN DUPLICATE R958C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 3875 CN DUPLICATE R958C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3876 CN DUPLICATE R958C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3877 CN DUPLICATE R958C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3878 CN DUPLICATE R958C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3879 CN DUPLICATE R959C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3880 CN DUPLICATE R959C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3881 CN DUPLICATE R959C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3882 CN DUPLICATE R959C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3883 CN DUPLICATE R960C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3884 CN DUPLICATE R960C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 3885 CN DUPLICATE R960C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3886 CN DUPLICATE R960C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3887 CN DUPLICATE R960C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3888 CN DUPLICATE R960C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3889 CN DUPLICATE R961C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3890 CN DUPLICATE R961C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 3891 CN DUPLICATE R961C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 3892 CN DUPLICATE R961C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3893 CN DUPLICATE R961C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3894 CN DUPLICATE R961C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3895 CN DUPLICATE R963C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 3896 CN DUPLICATE R963C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3897 CN DUPLICATE R963C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 3898 CN DUPLICATE R963C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3899 CN DUPLICATE R963C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3900 CN DUPLICATE R964C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3901 CN DUPLICATE R964C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3902 CN DUPLICATE R964C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 3903 CN DUPLICATE R964C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3904 CN DUPLICATE R966C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3905 CN DUPLICATE R966C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3906 CN DUPLICATE R966C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3907 CN DUPLICATE R966C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3908 CN DUPLICATE R966C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 3909 CN DUPLICATE R966C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3910 CN DUPLICATE R966C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3911 CN DUPLICATE R966C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3912 CN DUPLICATE R967C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 32500.0 ! 3913 CN DUPLICATE R967C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 25000.0 ! 3914 CN DUPLICATE R967C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 3915 CN DUPLICATE R967C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3916 CN DUPLICATE R967C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 3917 CN DUPLICATE R967C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3918 CN DUPLICATE R967C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3919 CN DUPLICATE R968C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3920 CN DUPLICATE R968C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 3921 CN DUPLICATE R968C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3922 CN DUPLICATE R968C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3923 CN DUPLICATE R968C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 3924 CN DUPLICATE R968C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3925 CN DUPLICATE R969C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 3926 CN DUPLICATE R969C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3927 CN DUPLICATE R969C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3928 CN DUPLICATE R969C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3929 CN DUPLICATE R969C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 3930 CN DUPLICATE R970C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 3931 CN DUPLICATE R970C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3932 CN DUPLICATE R970C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3933 CN DUPLICATE R970C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3934 CN DUPLICATE R972C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 3935 CN DUPLICATE R972C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 3936 CN DUPLICATE R972C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3937 CN DUPLICATE R972C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3938 CN DUPLICATE R972C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3939 CN DUPLICATE R972C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3940 CN DUPLICATE R975C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3941 CN DUPLICATE R975C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 3942 CN DUPLICATE R975C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 3943 CN DUPLICATE R975C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3944 CN DUPLICATE R975C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3945 CN DUPLICATE R975C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3946 CN DUPLICATE R975C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3947 CN DUPLICATE R976C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3948 CN DUPLICATE R976C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3949 CN DUPLICATE R976C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3950 CN DUPLICATE R976C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3951 CN DUPLICATE R976C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3952 CN DUPLICATE R976C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3953 CN DUPLICATE R976C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 3954 CN DUPLICATE R976C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3955 CN DUPLICATE R978C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3956 CN DUPLICATE R978C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3957 CN DUPLICATE R978C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 3958 CN DUPLICATE R978C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3959 CN DUPLICATE R978C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3960 CN DUPLICATE R978C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3961 CN DUPLICATE R978C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 3962 CN DUPLICATE R983C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 30500.0 ! 3963 CN DUPLICATE R983C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3964 CN DUPLICATE R983C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3965 CN DUPLICATE R983C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3966 CN DUPLICATE R983C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3967 CN DUPLICATE R987C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3968 CN DUPLICATE R987C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 23000.0 ! 3969 CN DUPLICATE R987C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3970 CN DUPLICATE R987C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3971 CN DUPLICATE R987C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3972 CN DUPLICATE R987C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3973 CN DUPLICATE R989C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3974 CN DUPLICATE R989C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3975 CN DUPLICATE R989C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 20000.0 ! 3976 CN DUPLICATE R989C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3977 CN DUPLICATE R989C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3978 CN DUPLICATE R989C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3979 CN DUPLICATE R989C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3980 CN DUPLICATE R991C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3981 CN DUPLICATE R991C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3982 CN DUPLICATE R991C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3983 CN DUPLICATE R991C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 3984 CN DUPLICATE R991C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3985 CN DUPLICATE R991C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3986 CN DUPLICATE R991C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3987 CN DUPLICATE R991C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 19000.0 ! 3988 CN DUPLICATE R992C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3989 CN DUPLICATE R992C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 3990 CN DUPLICATE R992C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3991 CN DUPLICATE R992C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3992 CN DUPLICATE R992C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3993 CN DUPLICATE R992C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 18000.0 ! 3994 CN DUPLICATE R994C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 3995 CN DUPLICATE R994C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 3996 CN DUPLICATE R994C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 3997 CN DUPLICATE R994C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 3998 CN DUPLICATE R994C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 3999 CN DUPLICATE R996C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4000 CN DUPLICATE R996C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4001 CN DUPLICATE R996C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4002 CN DUPLICATE R996C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4003 CN DUPLICATE R998C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 4004 CN DUPLICATE R998C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4005 CN DUPLICATE R998C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4006 CN DUPLICATE R998C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4007 CN DUPLICATE R998C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4008 CN DUPLICATE R999C4H8OOOOH=>R2OH+C3H7COOOH 1.7E+0009 1.000 29500.0 ! 4009 CN DUPLICATE R999C4H8OOOOH=>R2OH+C3H7COOOH 8.6E+0008 1.000 28000.0 ! 4010 CN DUPLICATE R999C4H8OOOOH=>R2OH+C3H7COOOH 5.7E+0008 1.000 23000.0 ! 4011 CN DUPLICATE R1000C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4012 CN DUPLICATE R1000C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4013 CN DUPLICATE R1000C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 4014 CN DUPLICATE R1000C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4015 CN DUPLICATE R1000C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4016 CN DUPLICATE R1000C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 19000.0 ! 4017 CN DUPLICATE R1000C9H18OOOOH=>R2OH+C8H17COOOH 5.1E+0007 1.000 24000.0 ! 4018 CN DUPLICATE R1001C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4019 CN DUPLICATE R1001C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4020 CN DUPLICATE R1001C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4021 CN DUPLICATE R1001C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 4022 CN DUPLICATE R1001C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4023 CN DUPLICATE R1001C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 18000.0 ! 4024 CN DUPLICATE R1003C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 4025 CN DUPLICATE R1003C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4026 CN DUPLICATE R1003C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4027 CN DUPLICATE R1003C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 4028 CN DUPLICATE R1003C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4029 CN DUPLICATE R1006C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4030 CN DUPLICATE R1006C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4031 CN DUPLICATE R1006C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4032 CN DUPLICATE R1006C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 4033 CN DUPLICATE R1008C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4034 CN DUPLICATE R1008C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4035 CN DUPLICATE R1008C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4036 CN DUPLICATE R1008C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4037 CN DUPLICATE R1008C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 29500.0 ! 4038 CN DUPLICATE R1008C9H18OOOOH=>R2OH+C8H17COOOH 3.0E+0008 1.000 28000.0 ! 4039 CN DUPLICATE R1009C9H18OOOOH=>R2OH+C8H17COOOH 1.0E+0010 1.000 35500.0 ! 4040 CN DUPLICATE R1009C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4041 CN DUPLICATE R1009C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 4042 CN DUPLICATE R1009C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4043 CN DUPLICATE R1009C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4044 CN DUPLICATE R1010C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 4045 CN DUPLICATE R1010C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4046 CN DUPLICATE R1010C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4047 CN DUPLICATE R1010C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 4048 CN DUPLICATE R1010C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4049 CN DUPLICATE R1019C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4050 CN DUPLICATE R1019C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4051 CN DUPLICATE R1019C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4052 CN DUPLICATE R1019C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4053 CN DUPLICATE R1019C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4054 CN DUPLICATE R1019C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 18000.0 ! 4055 CN DUPLICATE R1020C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 4056 CN DUPLICATE R1020C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4057 CN DUPLICATE R1020C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 4058 CN DUPLICATE R1020C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4059 CN DUPLICATE R1020C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4060 CN DUPLICATE R1022C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4061 CN DUPLICATE R1022C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4062 CN DUPLICATE R1022C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 4063 CN DUPLICATE R1022C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4064 CN DUPLICATE R1025C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4065 CN DUPLICATE R1025C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4066 CN DUPLICATE R1025C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4067 CN DUPLICATE R1025C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 4068 CN DUPLICATE R1025C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4069 CN DUPLICATE R1025C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 22000.0 ! 4070 CN DUPLICATE R1025C9H18OOOOH=>R2OH+C8H17COOOH 3.0E+0008 1.000 25000.0 ! 4071 CN DUPLICATE R1026C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4072 CN DUPLICATE R1026C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 4073 CN DUPLICATE R1026C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4074 CN DUPLICATE R1026C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4075 CN DUPLICATE R1026C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 4076 CN DUPLICATE R1026C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 28000.0 ! 4077 CN DUPLICATE R1027C9H18OOOOH=>R2OH+C8H17COOOH 1.0E+0010 1.000 35500.0 ! 4078 CN DUPLICATE R1027C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4079 CN DUPLICATE R1027C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4080 CN DUPLICATE R1027C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 4081 CN DUPLICATE R1027C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4082 CN DUPLICATE R1028C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 4083 CN DUPLICATE R1028C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4084 CN DUPLICATE R1028C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4085 CN DUPLICATE R1028C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4086 CN DUPLICATE R1028C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 4087 CN DUPLICATE R1035C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 35500.0 ! 4088 CN DUPLICATE R1035C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4089 CN DUPLICATE R1035C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4090 CN DUPLICATE R1035C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4091 CN DUPLICATE R1035C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4092 CN DUPLICATE R1037C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4093 CN DUPLICATE R1037C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 4094 CN DUPLICATE R1037C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4095 CN DUPLICATE R1037C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4096 CN DUPLICATE R1039C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4097 CN DUPLICATE R1039C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4098 CN DUPLICATE R1039C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 4099 CN DUPLICATE R1039C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4100 CN DUPLICATE R1039C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4101 CN DUPLICATE R1039C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 19000.0 ! 4102 CN DUPLICATE R1039C9H18OOOOH=>R2OH+C8H17COOOH 5.1E+0007 1.000 24000.0 ! 4103 CN DUPLICATE R1040C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4104 CN DUPLICATE R1040C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 4105 CN DUPLICATE R1040C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4106 CN DUPLICATE R1040C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 4107 CN DUPLICATE R1040C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4108 CN DUPLICATE R1040C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 22000.0 ! 4109 CN DUPLICATE R1040C9H18OOOOH=>R2OH+C8H17COOOH 3.0E+0008 1.000 25000.0 ! 4110 CN DUPLICATE R1041C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4111 CN DUPLICATE R1041C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4112 CN DUPLICATE R1041C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 4113 CN DUPLICATE R1041C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4114 CN DUPLICATE R1041C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 4115 CN DUPLICATE R1041C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 28000.0 ! 4116 CN DUPLICATE R1043C9H18OOOOH=>R2OH+C8H17COOOH 1.0E+0010 1.000 35500.0 ! 4117 CN DUPLICATE R1043C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4118 CN DUPLICATE R1043C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4119 CN DUPLICATE R1043C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4120 CN DUPLICATE R1043C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 4121 CN DUPLICATE R1054C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4122 CN DUPLICATE R1054C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4123 CN DUPLICATE R1054C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4124 CN DUPLICATE R1054C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4125 CN DUPLICATE R1056C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4126 CN DUPLICATE R1056C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4127 CN DUPLICATE R1056C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 32500.0 ! 4128 CN DUPLICATE R1056C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 25000.0 ! 4129 CN DUPLICATE R1056C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 22000.0 ! 4130 CN DUPLICATE R1056C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 18000.0 ! 4131 CN DUPLICATE R1058C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4132 CN DUPLICATE R1058C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 4133 CN DUPLICATE R1058C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 4134 CN DUPLICATE R1058C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4135 CN DUPLICATE R1058C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4136 CN DUPLICATE R1058C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 19000.0 ! 4137 CN DUPLICATE R1058C9H18OOOOH=>R2OH+C8H17COOOH 5.1E+0007 1.000 24000.0 ! 4138 CN DUPLICATE R1059C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4139 CN DUPLICATE R1059C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4140 CN DUPLICATE R1059C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 4141 CN DUPLICATE R1059C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 4142 CN DUPLICATE R1059C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4143 CN DUPLICATE R1059C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 22000.0 ! 4144 CN DUPLICATE R1059C9H18OOOOH=>R2OH+C8H17COOOH 3.0E+0008 1.000 25000.0 ! 4145 CN DUPLICATE R1061C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4146 CN DUPLICATE R1061C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4147 CN DUPLICATE R1061C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4148 CN DUPLICATE R1061C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 4149 CN DUPLICATE R1061C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 4150 CN DUPLICATE R1061C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 28000.0 ! 4151 CN DUPLICATE R1069C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 30000.0 ! 4152 CN DUPLICATE R1069C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 29300.0 ! 4153 CN DUPLICATE R1069C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 27800.0 ! 4154 CN DUPLICATE R1069C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4155 CN DUPLICATE R1069C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 4156 CN DUPLICATE R1069C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.5E+0008 1.000 25000.0 ! 4157 CN DUPLICATE R1070C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 4158 CN DUPLICATE R1070C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 33700.0 ! 4159 CN DUPLICATE R1070C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4160 CN DUPLICATE R1070C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 4161 CN DUPLICATE R1070C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 22000.0 ! 4162 CN DUPLICATE R1070C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.5E+0007 1.000 24000.0 ! 4163 CN DUPLICATE R1071C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 4164 CN DUPLICATE R1071C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 18500.0 ! 4165 CN DUPLICATE R1071C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 17000.0 ! 4166 CN DUPLICATE R1072C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4167 CN DUPLICATE R1072C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.6E+0008 1.000 28000.0 ! 4168 CN DUPLICATE R1072C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 30000.0 ! 4169 CN DUPLICATE R1072C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 29300.0 ! 4170 CN DUPLICATE R1072C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 25300.0 ! 4171 CN DUPLICATE R1072C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 12500.0 ! 4172 CN DUPLICATE R1073C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.0E+0009 1.000 35500.0 ! 4173 CN DUPLICATE R1073C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4174 CN DUPLICATE R1073C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 22500.0 ! 4175 CN DUPLICATE R1073C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 26300.0 ! 4176 CN DUPLICATE R1073C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 21300.0 ! 4177 CN DUPLICATE R1074C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4178 CN DUPLICATE R1074C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 4179 CN DUPLICATE R1074C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 19500.0 ! 4180 CN DUPLICATE R1074C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.5E+0006 1.000 25300.0 ! 4181 CN DUPLICATE R1076C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 27500.0 ! 4182 CN DUPLICATE R1076C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 4183 CN DUPLICATE R1076C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 22000.0 ! 4184 CN DUPLICATE R1076C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0007 1.000 18500.0 ! 4185 CN DUPLICATE R1078C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 27500.0 ! 4186 CN DUPLICATE R1078C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.6E+0008 1.000 28000.0 ! 4187 CN DUPLICATE R1078C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4188 CN DUPLICATE R1078C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 22500.0 ! 4189 CN DUPLICATE R1078C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 26300.0 ! 4190 CN DUPLICATE R1078C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 23800.0 ! 4191 CN DUPLICATE R1079C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 30000.0 ! 4192 CN DUPLICATE R1079C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 29300.0 ! 4193 CN DUPLICATE R1079C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 27800.0 ! 4194 CN DUPLICATE R1079C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4195 CN DUPLICATE R1079C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 20000.0 ! 4196 CN DUPLICATE R1079C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.5E+0008 1.000 25000.0 ! 4197 CN DUPLICATE R1080C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 4198 CN DUPLICATE R1080C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 33700.0 ! 4199 CN DUPLICATE R1080C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4200 CN DUPLICATE R1080C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 4201 CN DUPLICATE R1080C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 17000.0 ! 4202 CN DUPLICATE R1080C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.5E+0007 1.000 24000.0 ! 4203 CN DUPLICATE R1081C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 4204 CN DUPLICATE R1081C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 31200.0 ! 4205 CN DUPLICATE R1081C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 18500.0 ! 4206 CN DUPLICATE R1081C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 17000.0 ! 4207 CN DUPLICATE R1083C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.0E+0009 1.000 35500.0 ! 4208 CN DUPLICATE R1083C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 27500.0 ! 4209 CN DUPLICATE R1083C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 4210 CN DUPLICATE R1083C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 19500.0 ! 4211 CN DUPLICATE R1083C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.5E+0006 1.000 25300.0 ! 4212 CN DUPLICATE R1084C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4213 CN DUPLICATE R1084C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 20000.0 ! 4214 CN DUPLICATE R1084C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 22000.0 ! 4215 CN DUPLICATE R1084C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0007 1.000 18500.0 ! 4216 CN DUPLICATE R1085C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 30000.0 ! 4217 CN DUPLICATE R1085C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 29300.0 ! 4218 CN DUPLICATE R1085C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 27800.0 ! 4219 CN DUPLICATE R1085C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 27500.0 ! 4220 CN DUPLICATE R1085C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 4221 CN DUPLICATE R1085C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.5E+0008 1.000 25000.0 ! 4222 CN DUPLICATE R1086C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 4223 CN DUPLICATE R1086C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 33700.0 ! 4224 CN DUPLICATE R1086C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 4225 CN DUPLICATE R1086C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.9E+0008 1.000 20000.0 ! 4226 CN DUPLICATE R1086C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 22000.0 ! 4227 CN DUPLICATE R1086C7H12OOOOHZ=>R2OH+C6H11COOOHZ 2.5E+0007 1.000 24000.0 ! 4228 CN DUPLICATE R1087C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 4229 CN DUPLICATE R1087C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 31200.0 ! 4230 CN DUPLICATE R1087C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 18500.0 ! 4231 CN DUPLICATE R1087C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 12000.0 ! 4232 CN DUPLICATE R1089C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 36800.0 ! 4233 CN DUPLICATE R1089C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 33700.0 ! 4234 CN DUPLICATE R1089C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 4235 CN DUPLICATE R1089C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 25000.0 ! 4236 CN DUPLICATE R1089C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.5E+0008 1.000 25000.0 ! 4237 CN DUPLICATE R1090C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 36800.0 ! 4238 CN DUPLICATE R1090C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 18500.0 ! 4239 CN DUPLICATE R1090C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 17000.0 ! 4240 CN DUPLICATE R1091C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.0E+0009 1.000 35500.0 ! 4241 CN DUPLICATE R1091C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 30000.0 ! 4242 CN DUPLICATE R1091C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 29300.0 ! 4243 CN DUPLICATE R1091C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 25300.0 ! 4244 CN DUPLICATE R1091C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 12500.0 ! 4245 CN DUPLICATE R1092C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 4246 CN DUPLICATE R1092C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 22500.0 ! 4247 CN DUPLICATE R1092C6H10OOOOHZ=>R2OH+C5H9COOOHZ 4.9E+0007 1.000 26300.0 ! 4248 CN DUPLICATE R1092C6H10OOOOHZ=>R2OH+C5H9COOOHZ 4.9E+0007 1.000 21300.0 ! 4249 CN DUPLICATE R1093C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 27500.0 ! 4250 CN DUPLICATE R1093C6H10OOOOHZ=>R2OH+C5H9COOOHZ 8.6E+0008 1.000 28000.0 ! 4251 CN DUPLICATE R1093C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 30000.0 ! 4252 CN DUPLICATE R1093C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 29300.0 ! 4253 CN DUPLICATE R1093C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 27800.0 ! 4254 CN DUPLICATE R1094C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 36800.0 ! 4255 CN DUPLICATE R1094C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 33700.0 ! 4256 CN DUPLICATE R1094C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 4257 CN DUPLICATE R1094C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 20000.0 ! 4258 CN DUPLICATE R1094C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.5E+0008 1.000 25000.0 ! 4259 CN DUPLICATE R1095C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 36800.0 ! 4260 CN DUPLICATE R1095C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 31200.0 ! 4261 CN DUPLICATE R1095C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 18500.0 ! 4262 CN DUPLICATE R1095C6H10OOOOHZ=>R2OH+C5H9COOOHZ 4.9E+0007 1.000 12000.0 ! 4263 CN DUPLICATE R1097C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.0E+0009 1.000 35500.0 ! 4264 CN DUPLICATE R1097C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 27500.0 ! 4265 CN DUPLICATE R1097C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 22500.0 ! 4266 CN DUPLICATE R1097C6H10OOOOHZ=>R2OH+C5H9COOOHZ 4.9E+0007 1.000 26300.0 ! 4267 CN DUPLICATE R1097C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 23800.0 ! 4268 CN DUPLICATE R1098C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 36800.0 ! 4269 CN DUPLICATE R1098C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 33700.0 ! 4270 CN DUPLICATE R1098C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 27500.0 ! 4271 CN DUPLICATE R1098C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 25000.0 ! 4272 CN DUPLICATE R1098C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.5E+0008 1.000 25000.0 ! 4273 CN DUPLICATE R1099C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 36800.0 ! 4274 CN DUPLICATE R1099C6H10OOOOHZ=>R2OH+C5H9COOOHZ 1.7E+0009 1.000 31200.0 ! 4275 CN DUPLICATE R1099C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 14000.0 ! 4276 CN DUPLICATE R1099C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 17000.0 ! 4277 CN DUPLICATE R1101C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 36800.0 ! 4278 CN DUPLICATE R1101C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 33700.0 ! 4279 CN DUPLICATE R1101C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 27500.0 ! 4280 CN DUPLICATE R1101C5H8OOOOHZ=>R2OH+C4H7COOOHZ 8.6E+0008 1.000 28000.0 ! 4281 CN DUPLICATE R1102C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 36800.0 ! 4282 CN DUPLICATE R1102C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 31200.0 ! 4283 CN DUPLICATE R1102C5H8OOOOHZ=>R2OH+C4H7COOOHZ 2.9E+0008 1.000 14000.0 ! 4284 CN DUPLICATE R1102C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.5E+0008 1.000 20000.0 ! 4285 CN DUPLICATE R1104C5H10OOOOH=>R2OH+C4H9COOOH 5.0E+0009 1.000 35500.0 ! 4286 CN DUPLICATE R1104C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 4287 CN DUPLICATE R1104C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 4288 CN DUPLICATE R1104C5H10OOOOH=>R2OH+C4H9COOOH 1.5E+0008 1.000 25000.0 ! 4289 CN DUPLICATE R1106C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4290 CN DUPLICATE R1106C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4291 CN DUPLICATE R1106C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.5E+0008 1.000 25000.0 ! 4292 CN DUPLICATE R1106C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4293 CN DUPLICATE R1106C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 4294 CN DUPLICATE R1106C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 4295 CN DUPLICATE R1107C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4296 CN DUPLICATE R1107C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.6E+0008 1.000 28000.0 ! 4297 CN DUPLICATE R1107C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4298 CN DUPLICATE R1107C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4299 CN DUPLICATE R1107C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 4300 CN DUPLICATE R1107C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 4301 CN DUPLICATE R1110C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.0E+0009 1.000 35500.0 ! 4302 CN DUPLICATE R1110C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4303 CN DUPLICATE R1110C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4304 CN DUPLICATE R1110C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4305 CN DUPLICATE R1110C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 4306 CN DUPLICATE R1112C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4307 CN DUPLICATE R1112C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4308 CN DUPLICATE R1112C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4309 CN DUPLICATE R1112C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 4310 CN DUPLICATE R1118C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 4311 CN DUPLICATE R1118C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 31200.0 ! 4312 CN DUPLICATE R1118C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 16500.0 ! 4313 CN DUPLICATE R1118C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 32500.0 ! 4314 CN DUPLICATE R1118C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 25000.0 ! 4315 CN DUPLICATE R1118C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 22000.0 ! 4316 CN DUPLICATE R1118C8H14OOOOHZ=>R2OH+C7H13COOOHZ 2.5E+0007 1.000 24000.0 ! 4317 CN DUPLICATE R1119C8H14OOOOHZ=>R2OH+C7H13COOOHZ 3.3E+0009 1.000 30500.0 ! 4318 CN DUPLICATE R1119C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 36800.0 ! 4319 CN DUPLICATE R1119C8H14OOOOHZ=>R2OH+C7H13COOOHZ 1.7E+0009 1.000 31200.0 ! 4320 CN DUPLICATE R1119C8H14OOOOHZ=>R2OH+C7H13COOOHZ 5.7E+0008 1.000 18500.0 ! 4321 CN DUPLICATE R1119C8H14OOOOHZ=>R2OH+C7H13COOOHZ 9.9E+0007 1.000 17000.0 ! 4322 CN DUPLICATE R1121C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 30000.0 ! 4323 CN DUPLICATE R1121C5H8OOOOHZ=>R2OH+C4H7COOOHZ 2.9E+0008 1.000 29300.0 ! 4324 CN DUPLICATE R1121C5H8OOOOHZ=>R2OH+C4H7COOOHZ 2.9E+0008 1.000 25300.0 ! 4325 CN DUPLICATE R1121C5H8OOOOHZ=>R2OH+C4H7COOOHZ 9.9E+0007 1.000 12500.0 ! 4326 CN DUPLICATE R1123C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 4327 CN DUPLICATE R1123C6H12OOOOH=>R2OH+C5H11COOOH 8.6E+0008 1.000 28000.0 ! 4328 CN DUPLICATE R1123C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 4329 CN DUPLICATE R1123C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 4330 CN DUPLICATE R1123C6H12OOOOH=>R2OH+C5H11COOOH 1.5E+0008 1.000 25000.0 ! 4331 CN DUPLICATE R1124C6H12OOOOH=>R2OH+C5H11COOOH 5.0E+0009 1.000 35500.0 ! 4332 CN DUPLICATE R1124C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 4333 CN DUPLICATE R1124C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 4334 CN DUPLICATE R1124C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 4335 CN DUPLICATE R1124C6H12OOOOH=>R2OH+C5H11COOOH 2.5E+0007 1.000 24000.0 ! 4336 CN DUPLICATE R1125C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4337 CN DUPLICATE R1125C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 4338 CN DUPLICATE R1125C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 4339 CN DUPLICATE R1125C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0007 1.000 21000.0 ! 4340 CN DUPLICATE R1130C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4341 CN DUPLICATE R1130C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 4342 CN DUPLICATE R1130C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 4343 CN DUPLICATE R1130C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0007 1.000 21000.0 ! 4344 CN DUPLICATE R1133C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4345 CN DUPLICATE R1133C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4346 CN DUPLICATE R1133C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 4347 CN DUPLICATE R1133C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 4348 CN DUPLICATE R1133C6H12CO5H=>R2OH+C6H11OCOOOH 2.5E+0007 1.000 24000.0 ! 4349 CN DUPLICATE R1134C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4350 CN DUPLICATE R1134C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 4351 CN DUPLICATE R1134C6H12CO5H=>R2OH+C6H11OCOOOH 1.5E+0008 1.000 25000.0 ! 4352 CN DUPLICATE R1134C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4353 CN DUPLICATE R1134C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 4354 CN DUPLICATE R1135C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4355 CN DUPLICATE R1135C6H12CO5H=>R2OH+C6H11OCOOOH 8.6E+0008 1.000 28000.0 ! 4356 CN DUPLICATE R1135C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4357 CN DUPLICATE R1135C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 4358 CN DUPLICATE R1135C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 4359 CN DUPLICATE R1154C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4360 CN DUPLICATE R1154C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4361 CN DUPLICATE R1154C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.5E+0008 1.000 25000.0 ! 4362 CN DUPLICATE R1154C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 4363 CN DUPLICATE R1154C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4364 CN DUPLICATE R1154C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 4365 CN DUPLICATE R1155C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4366 CN DUPLICATE R1155C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.6E+0008 1.000 28000.0 ! 4367 CN DUPLICATE R1155C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4368 CN DUPLICATE R1155C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 4369 CN DUPLICATE R1155C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4370 CN DUPLICATE R1155C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 4371 CN DUPLICATE R1157C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.0E+0009 1.000 35500.0 ! 4372 CN DUPLICATE R1157C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4373 CN DUPLICATE R1157C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4374 CN DUPLICATE R1157C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 4375 CN DUPLICATE R1157C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 4376 CN DUPLICATE R1160C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4377 CN DUPLICATE R1160C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4378 CN DUPLICATE R1160C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4379 CN DUPLICATE R1160C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 4380 CN DUPLICATE R1162C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4381 CN DUPLICATE R1162C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4382 CN DUPLICATE R1162C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.5E+0008 1.000 25000.0 ! 4383 CN DUPLICATE R1162C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4384 CN DUPLICATE R1162C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4385 CN DUPLICATE R1162C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 4386 CN DUPLICATE R1163C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4387 CN DUPLICATE R1163C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.6E+0008 1.000 28000.0 ! 4388 CN DUPLICATE R1163C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 4389 CN DUPLICATE R1163C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4390 CN DUPLICATE R1163C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4391 CN DUPLICATE R1163C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 4392 CN DUPLICATE R1164C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.0E+0009 1.000 35500.0 ! 4393 CN DUPLICATE R1164C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4394 CN DUPLICATE R1164C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 4395 CN DUPLICATE R1164C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4396 CN DUPLICATE R1164C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 4397 CN DUPLICATE R1166C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4398 CN DUPLICATE R1166C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4399 CN DUPLICATE R1166C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 4400 CN DUPLICATE R1166C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 4401 CN DUPLICATE R1171C5H10OOOOH=>R2OH+C4H9COOOH 5.0E+0009 1.000 35500.0 ! 4402 CN DUPLICATE R1171C5H10OOOOH=>R2OH+C4H9COOOH 1.7E+0009 1.000 27500.0 ! 4403 CN DUPLICATE R1171C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 4404 CN DUPLICATE R1171C5H10OOOOH=>R2OH+C4H9COOOH 1.5E+0008 1.000 25000.0 ! 4405 CN DUPLICATE R1172C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 4406 CN DUPLICATE R1172C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4407 CN DUPLICATE R1172C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.5E+0008 1.000 25000.0 ! 4408 CN DUPLICATE R1172C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4409 CN DUPLICATE R1172C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4410 CN DUPLICATE R1172C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 4411 CN DUPLICATE R1173C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4412 CN DUPLICATE R1173C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.6E+0008 1.000 28000.0 ! 4413 CN DUPLICATE R1173C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4414 CN DUPLICATE R1173C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4415 CN DUPLICATE R1173C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4416 CN DUPLICATE R1173C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 4417 CN DUPLICATE R1174C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.0E+0009 1.000 35500.0 ! 4418 CN DUPLICATE R1174C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 4419 CN DUPLICATE R1174C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 4420 CN DUPLICATE R1174C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4421 CN DUPLICATE R1174C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 4422 CN DUPLICATE R1175C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 4423 CN DUPLICATE R1175C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 4424 CN DUPLICATE R1175C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 4425 CN DUPLICATE R1175C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 4426 CN DUPLICATE R1177C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 4427 CN DUPLICATE R1177C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 4428 CN DUPLICATE R1177C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 4429 CN DUPLICATE R1177C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0007 1.000 21000.0 ! 4430 CN DUPLICATE !R1179C8H16OOOOH=>R2OH+C7H15COOOH 3.3E+0009 1.000 32500.0 ! 4431 CN ! DUPLICATE !R1179C8H16OOOOH=>R2OH+C7H15COOOH 5.7E+0008 1.000 25000.0 ! 4432 CN ! DUPLICATE !R1179C8H16OOOOH=>R2OH+C7H15COOOH 1.5E+0008 1.000 25000.0 ! 4433 CN ! DUPLICATE !R1179C8H16OOOOH=>R2OH+C7H15COOOH 3.3E+0009 1.000 32500.0 ! 4434 CN ! DUPLICATE !R1179C8H16OOOOH=>R2OH+C7H15COOOH 5.7E+0008 1.000 25000.0 ! 4435 CN ! DUPLICATE !R1179C8H16OOOOH=>R2OH+C7H15COOOH 9.9E+0007 1.000 22000.0 ! 4436 CN ! DUPLICATE !R1179C8H16OOOOH=>R2OH+C7H15COOOH 2.5E+0007 1.000 24000.0 ! 4437 CN ! DUPLICATE R1180C8H16OOOOH=>R2OH+C8KET38 3.3E+0009 1.000 32500.0 ! 4438 CN DUPLICATE R1180C8H16OOOOH=>R2OH+C8KET38 5.7E+0008 1.000 25000.0 ! 4439 CN DUPLICATE R1180C8H16OOOOH=>R2OH+C8KET38 9.9E+0007 1.000 22000.0 ! 4440 CN DUPLICATE R1180C8H16OOOOH=>R2OH+C8KET38 1.7E+0007 1.000 21000.0 ! 4441 CN DUPLICATE !R1181C8H16OOOOH=>R2OH+C7H15COOOH 3.3E+0009 1.000 32500.0 ! 4442 CN ! DUPLICATE !R1181C8H16OOOOH=>R2OH+C7H15COOOH 8.6E+0008 1.000 28000.0 ! 4443 CN ! DUPLICATE !R1181C8H16OOOOH=>R2OH+C7H15COOOH 3.3E+0009 1.000 32500.0 ! 4444 CN ! DUPLICATE !R1181C8H16OOOOH=>R2OH+C7H15COOOH 5.7E+0008 1.000 25000.0 ! 4445 CN ! DUPLICATE !R1181C8H16OOOOH=>R2OH+C7H15COOOH 9.9E+0007 1.000 22000.0 ! 4446 CN ! DUPLICATE !R1181C8H16OOOOH=>R2OH+C7H15COOOH 1.7E+0007 1.000 21000.0 ! 4447 CN ! DUPLICATE R1182C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4448 CN DUPLICATE R1182C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4449 CN DUPLICATE R1182C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 4.9E+0007 1.000 17000.0 ! 4450 CN DUPLICATE R1182C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0007 1.000 19000.0 ! 4451 CN DUPLICATE R1185C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4452 CN DUPLICATE R1185C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4453 CN DUPLICATE R1185C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4454 CN DUPLICATE R1185C6H11OHO4H=>R2OH+C5H10OHCOOOH 8.5E+0006 1.000 16000.0 ! 4455 CN DUPLICATE !R1193C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 34100.0 ! 4456 CN ! DUPLICATE R1193C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 27500.0 ! 4457 CN DUPLICATE R1193C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 25000.0 ! 4458 CN DUPLICATE R1193C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.5E+0008 1.000 25000.0 ! 4459 CN DUPLICATE R1194C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4460 CN DUPLICATE R1194C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4461 CN DUPLICATE R1194C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 22000.0 ! 4462 CN DUPLICATE R1194C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0007 1.000 19000.0 ! 4463 CN DUPLICATE R1195C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4464 CN DUPLICATE R1195C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4465 CN DUPLICATE R1195C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4466 CN DUPLICATE R1195C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4467 CN DUPLICATE R1195C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4468 CN DUPLICATE R1195C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4469 CN DUPLICATE R1195C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 4470 CN DUPLICATE R1196C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0009 1.000 27500.0 ! 4471 CN DUPLICATE R1196C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4472 CN DUPLICATE R1196C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4473 CN DUPLICATE R1196C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 21000.0 ! 4474 CN DUPLICATE R1201C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 26500.0 ! 4475 CN DUPLICATE !R1201C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4476 CN ! DUPLICATE R1201C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4477 CN DUPLICATE R1201C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4478 CN DUPLICATE R1201C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4479 CN DUPLICATE R1201C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4480 CN DUPLICATE R1205C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4481 CN DUPLICATE R1205C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 19000.0 ! 4482 CN DUPLICATE !R1205C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 4483 CN ! DUPLICATE R1205C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4484 CN DUPLICATE R1205C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4485 CN DUPLICATE R1205C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4486 CN DUPLICATE R1205C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4487 CN DUPLICATE R1206C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4488 CN DUPLICATE R1206C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4489 CN DUPLICATE R1206C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 16000.0 ! 4490 CN DUPLICATE !R1206C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 4491 CN ! DUPLICATE R1206C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4492 CN DUPLICATE R1206C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4493 CN DUPLICATE R1206C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4494 CN DUPLICATE R1206C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4495 CN DUPLICATE R1208C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4496 CN DUPLICATE R1208C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4497 CN DUPLICATE R1208C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4498 CN DUPLICATE R1208C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4499 CN DUPLICATE R1208C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4500 CN DUPLICATE R1208C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4501 CN DUPLICATE R1208C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 15000.0 ! 4502 CN DUPLICATE R1210C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 3.3E+0009 1.000 30500.0 ! 4503 CN DUPLICATE !R1210C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 0.0E+0000 1.000 26600.0 ! 4504 CN ! DUPLICATE R1210C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 3.3E+0009 1.000 30500.0 ! 4505 CN DUPLICATE !R1211C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 0.0E+0000 1.000 34100.0 ! 4506 CN ! DUPLICATE R1211C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 3.3E+0009 1.000 32500.0 ! 4507 CN DUPLICATE R1211C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 5.7E+0008 1.000 23000.0 ! 4508 CN DUPLICATE !R1212C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 4509 CN ! DUPLICATE R1212C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4510 CN DUPLICATE R1212C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4511 CN DUPLICATE R1212C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4512 CN DUPLICATE R1212C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4513 CN DUPLICATE R1213C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4514 CN DUPLICATE R1213C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4515 CN DUPLICATE R1213C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4516 CN DUPLICATE R1213C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 21000.0 ! 4517 CN DUPLICATE R1215C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4518 CN DUPLICATE R1215C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 4519 CN DUPLICATE R1215C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4520 CN DUPLICATE R1215C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4521 CN DUPLICATE R1215C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4522 CN DUPLICATE R1215C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4523 CN DUPLICATE R1216C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 30500.0 ! 4524 CN DUPLICATE !R1216C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4525 CN ! DUPLICATE R1216C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4526 CN DUPLICATE R1216C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4527 CN DUPLICATE R1216C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4528 CN DUPLICATE R1216C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4529 CN DUPLICATE !R1218C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 4530 CN ! DUPLICATE R1218C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4531 CN DUPLICATE R1218C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4532 CN DUPLICATE R1218C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4533 CN DUPLICATE R1218C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4534 CN DUPLICATE R1219C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4535 CN DUPLICATE R1219C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4536 CN DUPLICATE R1219C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 4537 CN DUPLICATE !R1219C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 4538 CN ! DUPLICATE R1219C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 32500.0 ! 4539 CN DUPLICATE R1219C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 25000.0 ! 4540 CN DUPLICATE R1219C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 22000.0 ! 4541 CN DUPLICATE R1219C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4542 CN DUPLICATE R1220C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4543 CN DUPLICATE R1220C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4544 CN DUPLICATE R1220C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4545 CN DUPLICATE R1220C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4546 CN DUPLICATE R1220C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4547 CN DUPLICATE R1220C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4548 CN DUPLICATE R1220C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 4549 CN DUPLICATE R1222C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4550 CN DUPLICATE R1222C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 4551 CN DUPLICATE R1222C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4552 CN DUPLICATE R1222C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4553 CN DUPLICATE R1222C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 4554 CN DUPLICATE R1222C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4555 CN DUPLICATE R1225C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 4556 CN DUPLICATE R1225C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4557 CN DUPLICATE R1225C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4558 CN DUPLICATE R1225C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4559 CN DUPLICATE R1225C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 4560 CN DUPLICATE R1227C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 30500.0 ! 4561 CN DUPLICATE R1227C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 4562 CN DUPLICATE R1227C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 23000.0 ! 4563 CN DUPLICATE !R1227C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 23600.0 ! 4564 CN ! DUPLICATE R1228C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 30500.0 ! 4565 CN DUPLICATE !R1228C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 26600.0 ! 4566 CN ! DUPLICATE R1228C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 4567 CN DUPLICATE R1228C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 23000.0 ! 4568 CN DUPLICATE !R1229C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 34100.0 ! 4569 CN ! DUPLICATE R1229C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 4570 CN DUPLICATE R1229C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 25000.0 ! 4571 CN DUPLICATE R1229C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 9.9E+0007 1.000 20000.0 ! 4572 CN DUPLICATE R1234C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 30500.0 ! 4573 CN DUPLICATE !R1234C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4574 CN ! DUPLICATE R1234C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4575 CN DUPLICATE R1234C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4576 CN DUPLICATE R1234C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4577 CN DUPLICATE R1234C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4578 CN DUPLICATE !R1235C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 4579 CN ! DUPLICATE R1235C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4580 CN DUPLICATE R1235C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4581 CN DUPLICATE R1235C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4582 CN DUPLICATE R1235C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4583 CN DUPLICATE R1236C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 4584 CN DUPLICATE R1236C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4585 CN DUPLICATE R1236C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4586 CN DUPLICATE R1236C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4587 CN DUPLICATE R1236C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4588 CN DUPLICATE R1237C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 32500.0 ! 4589 CN DUPLICATE R1237C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 23000.0 ! 4590 CN DUPLICATE !R1237C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 4591 CN ! DUPLICATE R1237C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4592 CN DUPLICATE R1237C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4593 CN DUPLICATE R1237C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4594 CN DUPLICATE R1237C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4595 CN DUPLICATE R1238C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 30500.0 ! 4596 CN DUPLICATE !R1238C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4597 CN ! DUPLICATE R1238C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4598 CN DUPLICATE R1238C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4599 CN DUPLICATE R1238C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4600 CN DUPLICATE R1238C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4601 CN DUPLICATE !R1239C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 4602 CN ! DUPLICATE R1239C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4603 CN DUPLICATE R1239C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4604 CN DUPLICATE R1239C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 4605 CN DUPLICATE R1239C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4606 CN DUPLICATE R1241C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4607 CN DUPLICATE R1241C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4608 CN DUPLICATE R1241C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4609 CN DUPLICATE R1241C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4610 CN DUPLICATE R1241C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4611 CN DUPLICATE R1241C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4612 CN DUPLICATE R1241C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 4613 CN DUPLICATE R1242C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4614 CN DUPLICATE R1242C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 4615 CN DUPLICATE R1242C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4616 CN DUPLICATE R1242C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4617 CN DUPLICATE R1242C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4618 CN DUPLICATE R1242C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4619 CN DUPLICATE R1243C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 4620 CN DUPLICATE R1243C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4621 CN DUPLICATE R1243C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4622 CN DUPLICATE R1243C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 4623 CN DUPLICATE R1243C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4624 CN DUPLICATE R1245C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4625 CN DUPLICATE R1245C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4626 CN DUPLICATE R1245C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4627 CN DUPLICATE R1245C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 4628 CN DUPLICATE R1247C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 30500.0 ! 4629 CN DUPLICATE R1247C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4630 CN DUPLICATE R1247C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4631 CN DUPLICATE R1247C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 20000.0 ! 4632 CN DUPLICATE !R1247C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 22600.0 ! 4633 CN ! DUPLICATE R1248C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4634 CN DUPLICATE R1248C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 23000.0 ! 4635 CN DUPLICATE !R1248C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 23600.0 ! 4636 CN ! DUPLICATE R1248C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4637 CN DUPLICATE R1248C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 23000.0 ! 4638 CN DUPLICATE R1249C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 30500.0 ! 4639 CN DUPLICATE !R1249C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 26600.0 ! 4640 CN ! DUPLICATE R1249C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4641 CN DUPLICATE R1249C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4642 CN DUPLICATE R1249C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 20000.0 ! 4643 CN DUPLICATE !R1250C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 34100.0 ! 4644 CN ! DUPLICATE R1250C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4645 CN DUPLICATE R1250C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4646 CN DUPLICATE R1250C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 22000.0 ! 4647 CN DUPLICATE R1250C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0007 1.000 19000.0 ! 4648 CN DUPLICATE R1258C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4649 CN DUPLICATE R1258C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 4650 CN DUPLICATE !R1258C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 4651 CN ! DUPLICATE R1258C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4652 CN DUPLICATE R1258C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4653 CN DUPLICATE R1258C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4654 CN DUPLICATE R1258C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4655 CN DUPLICATE R1259C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 30500.0 ! 4656 CN DUPLICATE !R1259C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4657 CN ! DUPLICATE R1259C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4658 CN DUPLICATE R1259C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4659 CN DUPLICATE R1259C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4660 CN DUPLICATE R1259C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4661 CN DUPLICATE !R1260C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 4662 CN ! DUPLICATE R1260C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4663 CN DUPLICATE R1260C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4664 CN DUPLICATE R1260C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4665 CN DUPLICATE R1260C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4666 CN DUPLICATE R1261C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4667 CN DUPLICATE R1261C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4668 CN DUPLICATE R1261C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4669 CN DUPLICATE R1261C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4670 CN DUPLICATE R1262C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 30500.0 ! 4671 CN DUPLICATE R1262C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4672 CN DUPLICATE R1262C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4673 CN DUPLICATE R1262C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4674 CN DUPLICATE R1262C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 19000.0 ! 4675 CN DUPLICATE R1263C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4676 CN DUPLICATE R1263C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 23000.0 ! 4677 CN DUPLICATE R1263C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4678 CN DUPLICATE R1263C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4679 CN DUPLICATE R1263C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 20000.0 ! 4680 CN DUPLICATE !R1263C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 22600.0 ! 4681 CN ! DUPLICATE R1264C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4682 CN DUPLICATE R1264C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 23000.0 ! 4683 CN DUPLICATE !R1264C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 23600.0 ! 4684 CN ! DUPLICATE R1264C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4685 CN DUPLICATE R1264C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4686 CN DUPLICATE R1264C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 20000.0 ! 4687 CN DUPLICATE R1265C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 30500.0 ! 4688 CN DUPLICATE !R1265C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 26600.0 ! 4689 CN ! DUPLICATE R1265C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4690 CN DUPLICATE R1265C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4691 CN DUPLICATE R1265C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4692 CN DUPLICATE R1265C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 19000.0 ! 4693 CN DUPLICATE R1278C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 4694 CN DUPLICATE R1278C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 2.9E+0008 1.000 20000.0 ! 4695 CN DUPLICATE !R1278C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 23600.0 ! 4696 CN ! DUPLICATE R1278C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 9.9E+0007 1.000 20000.0 ! 4697 CN DUPLICATE R1280C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 32500.0 ! 4698 CN DUPLICATE R1280C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4699 CN DUPLICATE R1280C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 4.9E+0007 1.000 17000.0 ! 4700 CN DUPLICATE !R1280C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 22600.0 ! 4701 CN ! DUPLICATE R1280C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0007 1.000 19000.0 ! 4702 CN DUPLICATE R1283C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4703 CN DUPLICATE R1283C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4704 CN DUPLICATE R1283C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4705 CN DUPLICATE R1283C6H11OHO4H=>R2OH+C5H10OHCOOOH 8.5E+0006 1.000 16000.0 ! 4706 CN DUPLICATE R1287C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4707 CN DUPLICATE R1287C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4708 CN DUPLICATE !R1287C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 4709 CN ! DUPLICATE R1287C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4710 CN DUPLICATE R1287C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4711 CN DUPLICATE R1287C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4712 CN DUPLICATE R1287C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4713 CN DUPLICATE R1287C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4714 CN DUPLICATE R1288C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 4715 CN DUPLICATE R1288C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 2.9E+0008 1.000 20000.0 ! 4716 CN DUPLICATE !R1288C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 23600.0 ! 4717 CN ! DUPLICATE R1288C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.5E+0008 1.000 25000.0 ! 4718 CN DUPLICATE R1289C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0009 1.000 27500.0 ! 4719 CN DUPLICATE R1289C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4720 CN DUPLICATE R1289C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 4.9E+0007 1.000 17000.0 ! 4721 CN DUPLICATE !R1289C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 22600.0 ! 4722 CN ! DUPLICATE R1289C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 2.5E+0007 1.000 24000.0 ! 4723 CN DUPLICATE R1293C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4724 CN DUPLICATE R1293C6H11OHO4H=>R2OH+C5H10OHCOOOH 2.9E+0008 1.000 20000.0 ! 4725 CN DUPLICATE R1293C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4726 CN DUPLICATE R1293C6H11OHO4H=>R2OH+C5H10OHCOOOH 8.5E+0006 1.000 16000.0 ! 4727 CN DUPLICATE R1298C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 30500.0 ! 4728 CN DUPLICATE R1298C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4729 CN DUPLICATE R1298C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4730 CN DUPLICATE R1298C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4731 CN DUPLICATE R1298C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4732 CN DUPLICATE R1302C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4733 CN DUPLICATE R1302C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 4734 CN DUPLICATE R1302C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4735 CN DUPLICATE R1302C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4736 CN DUPLICATE R1302C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4737 CN DUPLICATE R1302C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 4738 CN DUPLICATE R1303C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4739 CN DUPLICATE R1303C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4740 CN DUPLICATE R1303C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 4741 CN DUPLICATE R1303C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4742 CN DUPLICATE R1303C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4743 CN DUPLICATE R1303C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 4744 CN DUPLICATE !R1303C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 4745 CN ! DUPLICATE R1303C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4746 CN DUPLICATE R1305C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4747 CN DUPLICATE R1305C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4748 CN DUPLICATE !R1305C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 4749 CN ! DUPLICATE R1305C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4750 CN DUPLICATE R1305C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4751 CN DUPLICATE R1305C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4752 CN DUPLICATE R1305C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4753 CN DUPLICATE R1305C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 19000.0 ! 4754 CN DUPLICATE R1315C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4755 CN DUPLICATE R1315C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4756 CN DUPLICATE R1315C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 4.9E+0007 1.000 17000.0 ! 4757 CN DUPLICATE !R1315C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 22600.0 ! 4758 CN ! DUPLICATE R1315C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 2.5E+0007 1.000 24000.0 ! 4759 CN DUPLICATE R1316C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4760 CN DUPLICATE R1316C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4761 CN DUPLICATE R1316C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4762 CN DUPLICATE R1316C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4763 CN DUPLICATE R1316C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4764 CN DUPLICATE R1316C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 4765 CN DUPLICATE !R1316C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 4766 CN ! DUPLICATE R1316C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4767 CN DUPLICATE R1317C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0009 1.000 27500.0 ! 4768 CN DUPLICATE R1317C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4769 CN DUPLICATE R1317C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4770 CN DUPLICATE R1317C6H11OHO4H=>R2OH+C5H10OHCOOOH 8.5E+0006 1.000 16000.0 ! 4771 CN DUPLICATE !R1322C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4772 CN ! DUPLICATE R1322C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4773 CN DUPLICATE R1322C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4774 CN DUPLICATE R1322C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4775 CN DUPLICATE !R1324C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4776 CN ! DUPLICATE R1324C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 4777 CN DUPLICATE R1324C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4778 CN DUPLICATE R1324C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4779 CN DUPLICATE R1324C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4780 CN DUPLICATE R1324C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4781 CN DUPLICATE R1326C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4782 CN DUPLICATE !R1326C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 4783 CN ! DUPLICATE R1326C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4784 CN DUPLICATE R1326C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4785 CN DUPLICATE R1326C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4786 CN DUPLICATE R1326C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4787 CN DUPLICATE R1326C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4788 CN DUPLICATE R1327C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4789 CN DUPLICATE R1327C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4790 CN DUPLICATE R1327C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4791 CN DUPLICATE R1327C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4792 CN DUPLICATE R1327C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4793 CN DUPLICATE !R1327C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 4794 CN ! DUPLICATE R1327C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4795 CN DUPLICATE R1329C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4796 CN DUPLICATE R1329C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 4797 CN DUPLICATE R1329C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4798 CN DUPLICATE R1329C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4799 CN DUPLICATE R1329C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4800 CN DUPLICATE !R1331C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 0.0E+0000 1.000 34100.0 ! 4801 CN ! DUPLICATE R1331C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 5.0E+0009 1.000 35500.0 ! 4802 CN DUPLICATE R1331C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 3.3E+0009 1.000 30500.0 ! 4803 CN DUPLICATE R1332C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4804 CN DUPLICATE !R1332C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4805 CN ! DUPLICATE R1332C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4806 CN DUPLICATE R1332C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4807 CN DUPLICATE R1332C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4808 CN DUPLICATE R1333C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 4809 CN DUPLICATE R1333C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 4810 CN DUPLICATE R1333C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 4811 CN DUPLICATE R1333C6H11OHO4H=>R2OH+C5H10OHCOOOH 8.5E+0006 1.000 16000.0 ! 4812 CN DUPLICATE R1335C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4813 CN DUPLICATE R1335C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 4814 CN DUPLICATE R1335C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4815 CN DUPLICATE R1335C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4816 CN DUPLICATE R1335C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4817 CN DUPLICATE R1335C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 4818 CN DUPLICATE !R1336C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 4819 CN ! DUPLICATE R1336C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 4820 CN DUPLICATE R1336C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4821 CN DUPLICATE R1336C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4822 CN DUPLICATE R1336C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4823 CN DUPLICATE R1336C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4824 CN DUPLICATE R1338C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4825 CN DUPLICATE !R1338C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4826 CN ! DUPLICATE R1338C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4827 CN DUPLICATE R1338C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4828 CN DUPLICATE R1338C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4829 CN DUPLICATE R1339C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4830 CN DUPLICATE R1339C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4831 CN DUPLICATE !R1339C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 4832 CN ! DUPLICATE R1339C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4833 CN DUPLICATE R1339C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4834 CN DUPLICATE R1339C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4835 CN DUPLICATE R1339C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4836 CN DUPLICATE R1339C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4837 CN DUPLICATE R1340C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4838 CN DUPLICATE R1340C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4839 CN DUPLICATE R1340C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.5E+0008 1.000 25000.0 ! 4840 CN DUPLICATE R1340C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4841 CN DUPLICATE R1340C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.9E+0008 1.000 20000.0 ! 4842 CN DUPLICATE R1340C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 4843 CN DUPLICATE !R1340C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 4844 CN ! DUPLICATE R1340C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 4845 CN DUPLICATE R1342C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4846 CN DUPLICATE R1342C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 4847 CN DUPLICATE R1342C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4848 CN DUPLICATE R1342C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4849 CN DUPLICATE R1342C8H15OHO4H=>R2OH+C7H14OHCOOOH 4.9E+0007 1.000 17000.0 ! 4850 CN DUPLICATE R1342C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 4851 CN DUPLICATE R1345C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 4852 CN DUPLICATE R1345C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4853 CN DUPLICATE R1345C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4854 CN DUPLICATE R1345C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4855 CN DUPLICATE R1345C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.5E+0006 1.000 16000.0 ! 4856 CN DUPLICATE R1347C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 30500.0 ! 4857 CN DUPLICATE R1347C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 27500.0 ! 4858 CN DUPLICATE !R1347C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 26600.0 ! 4859 CN ! DUPLICATE R1347C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 8.6E+0008 1.000 28000.0 ! 4860 CN DUPLICATE !R1348C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 34100.0 ! 4861 CN ! DUPLICATE R1348C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.5E+0008 1.000 35500.0 ! 4862 CN DUPLICATE R1348C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 4863 CN DUPLICATE R1348C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 23000.0 ! 4864 CN DUPLICATE R1349C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 27500.0 ! 4865 CN DUPLICATE !R1349C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 26600.0 ! 4866 CN ! DUPLICATE R1349C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 25000.0 ! 4867 CN DUPLICATE R1349C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 9.9E+0007 1.000 20000.0 ! 4868 CN DUPLICATE !R1352C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 4869 CN ! DUPLICATE R1352C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 4870 CN DUPLICATE R1352C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4871 CN DUPLICATE R1352C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4872 CN DUPLICATE R1352C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4873 CN DUPLICATE R1352C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4874 CN DUPLICATE R1353C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0009 1.000 27500.0 ! 4875 CN DUPLICATE !R1353C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 26600.0 ! 4876 CN ! DUPLICATE R1353C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4877 CN DUPLICATE R1353C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4878 CN DUPLICATE R1353C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4879 CN DUPLICATE R1354C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 4880 CN DUPLICATE R1354C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 4881 CN DUPLICATE R1354C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 4882 CN DUPLICATE R1354C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 4883 CN DUPLICATE R1354C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 4884 CN DUPLICATE R1355C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 30500.0 ! 4885 CN DUPLICATE R1355C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4886 CN DUPLICATE R1355C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 2.9E+0008 1.000 20000.0 ! 4887 CN DUPLICATE !R1355C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 23600.0 ! 4888 CN ! DUPLICATE R1355C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.5E+0008 1.000 25000.0 ! 4889 CN DUPLICATE R1356C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0009 1.000 27500.0 ! 4890 CN DUPLICATE !R1356C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 26600.0 ! 4891 CN ! DUPLICATE R1356C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 8.6E+0008 1.000 28000.0 ! 4892 CN DUPLICATE R1356C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4893 CN DUPLICATE R1356C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 23000.0 ! 4894 CN DUPLICATE !R1357C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 34100.0 ! 4895 CN ! DUPLICATE R1357C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.0E+0009 1.000 35500.0 ! 4896 CN DUPLICATE R1357C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 4897 CN DUPLICATE R1357C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4898 CN DUPLICATE R1357C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 20000.0 ! 4899 CN DUPLICATE R1358C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 4.9E+0007 1.000 27500.0 ! 4900 CN DUPLICATE !R1358C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 26600.0 ! 4901 CN ! DUPLICATE R1358C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 4902 CN DUPLICATE R1358C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 22000.0 ! 4903 CN DUPLICATE R1358C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0007 1.000 19000.0 ! 4904 CN DUPLICATE R1365C7H14OOOOH=>R2OH+C6H13COOOH 6.7E+0009 1.000 32500.0 ! 4905 CN DUPLICATE R1365C7H14OOOOH=>R2OH+C6H13COOOH 1.1E+0009 1.000 25000.0 ! 4906 CN DUPLICATE R1365C7H14OOOOH=>R2OH+C6H13COOOH 3.0E+0008 1.000 25000.0 ! 4907 CN DUPLICATE R1365C7H14OOOOH=>R2OH+C6H13COOOH 6.7E+0009 1.000 32500.0 ! 4908 CN DUPLICATE R1365C7H14OOOOH=>R2OH+C6H13COOOH 1.1E+0009 1.000 25000.0 ! 4909 CN DUPLICATE R1365C7H14OOOOH=>R2OH+C6H13COOOH 3.0E+0008 1.000 25000.0 ! 4910 CN DUPLICATE R1366C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 4911 CN DUPLICATE R1366C7H14OOOOH=>R2OH+C6H13COOOH 8.6E+0008 1.000 28000.0 ! 4912 CN DUPLICATE R1366C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 4913 CN DUPLICATE R1366C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 4914 CN DUPLICATE R1366C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 4915 CN DUPLICATE R1366C7H14OOOOH=>R2OH+C6H13COOOH 2.5E+0007 1.000 24000.0 ! 4916 CN DUPLICATE R1367C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 4917 CN DUPLICATE R1367C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 4918 CN DUPLICATE R1367C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 4919 CN DUPLICATE R1367C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 4920 CN DUPLICATE R1368C7H14OOOOH=>R2OH+C6H13COOOH 5.0E+0009 1.000 35500.0 ! 4921 CN DUPLICATE R1368C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 4922 CN DUPLICATE R1368C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 4923 CN DUPLICATE R1368C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 4924 CN DUPLICATE R1368C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0007 1.000 21000.0 ! 4925 CN DUPLICATE R1369C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4926 CN DUPLICATE R1369C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4927 CN DUPLICATE R1369C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4928 CN DUPLICATE R1369C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4929 CN DUPLICATE R1370C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4930 CN DUPLICATE R1370C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4931 CN DUPLICATE R1370C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 4932 CN DUPLICATE R1370C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4933 CN DUPLICATE R1370C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4934 CN DUPLICATE R1370C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4935 CN DUPLICATE R1370C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4936 CN DUPLICATE R1371C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4937 CN DUPLICATE R1371C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4938 CN DUPLICATE R1371C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4939 CN DUPLICATE R1371C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4940 CN DUPLICATE R1371C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4941 CN DUPLICATE R1371C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4942 CN DUPLICATE R1372C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 4943 CN DUPLICATE R1372C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4944 CN DUPLICATE R1372C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 25000.0 ! 4945 CN DUPLICATE R1372C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4946 CN DUPLICATE R1372C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4947 CN DUPLICATE R1373C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4948 CN DUPLICATE R1373C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4949 CN DUPLICATE R1373C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4950 CN DUPLICATE R1373C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4951 CN DUPLICATE R1374C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 4952 CN DUPLICATE R1374C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4953 CN DUPLICATE R1374C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4954 CN DUPLICATE R1374C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4955 CN DUPLICATE R1374C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4956 CN DUPLICATE R1375C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4957 CN DUPLICATE R1375C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4958 CN DUPLICATE R1375C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 4959 CN DUPLICATE R1375C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 4960 CN DUPLICATE R1375C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4961 CN DUPLICATE R1375C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4962 CN DUPLICATE R1375C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4963 CN DUPLICATE R1376C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4964 CN DUPLICATE R1376C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4965 CN DUPLICATE R1376C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4966 CN DUPLICATE R1376C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 4967 CN DUPLICATE R1376C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4968 CN DUPLICATE R1376C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4969 CN DUPLICATE R1377C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 4970 CN DUPLICATE R1377C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4971 CN DUPLICATE R1377C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4972 CN DUPLICATE R1377C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 4973 CN DUPLICATE R1377C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4974 CN DUPLICATE R1379C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4975 CN DUPLICATE R1379C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4976 CN DUPLICATE R1379C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4977 CN DUPLICATE R1379C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 4978 CN DUPLICATE R1380C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4979 CN DUPLICATE R1380C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4980 CN DUPLICATE R1380C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 4981 CN DUPLICATE R1380C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4982 CN DUPLICATE R1380C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4983 CN DUPLICATE R1380C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4984 CN DUPLICATE R1380C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4985 CN DUPLICATE R1381C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4986 CN DUPLICATE R1381C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 4987 CN DUPLICATE R1381C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4988 CN DUPLICATE R1381C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4989 CN DUPLICATE R1381C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4990 CN DUPLICATE R1381C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4991 CN DUPLICATE R1382C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 4992 CN DUPLICATE R1382C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4993 CN DUPLICATE R1382C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4994 CN DUPLICATE R1382C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4995 CN DUPLICATE R1382C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 4996 CN DUPLICATE R1383C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 4997 CN DUPLICATE R1383C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 4998 CN DUPLICATE R1383C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 4999 CN DUPLICATE R1383C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5000 CN DUPLICATE R1384C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5001 CN DUPLICATE R1384C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5002 CN DUPLICATE R1384C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5003 CN DUPLICATE R1384C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5004 CN DUPLICATE R1385C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 5005 CN DUPLICATE R1385C5H10OOOOH=>R2OH+C4H9COOOH 2.9E+0008 1.000 22000.0 ! 5006 CN DUPLICATE R1385C5H10OOOOH=>R2OH+C4H9COOOH 1.5E+0008 1.000 25000.0 ! 5007 CN DUPLICATE R1385C5H10OOOOH=>R2OH+C4H9COOOH 9.9E+0007 1.000 20000.0 ! 5008 CN DUPLICATE R1388C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 5009 CN DUPLICATE R1388C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 5010 CN DUPLICATE R1388C6H12OOOOH=>R2OH+C5H11COOOH 4.9E+0007 1.000 19000.0 ! 5011 CN DUPLICATE R1388C6H12OOOOH=>R2OH+C5H11COOOH 2.5E+0007 1.000 24000.0 ! 5012 CN DUPLICATE R1388C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 19000.0 ! 5013 CN DUPLICATE R1392C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 5014 CN DUPLICATE R1392C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 5015 CN DUPLICATE R1392C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 5016 CN DUPLICATE R1392C7H14OOOOH=>R2OH+C6H13COOOH 8.5E+0006 1.000 18000.0 ! 5017 CN DUPLICATE R1397C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 5018 CN DUPLICATE R1397C5H10OOOOH=>R2OH+C4H9COOOH 2.9E+0008 1.000 22000.0 ! 5019 CN DUPLICATE R1397C5H10OOOOH=>R2OH+C4H9COOOH 3.0E+0008 1.000 25000.0 ! 5020 CN DUPLICATE R1398C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5021 CN DUPLICATE R1398C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5022 CN DUPLICATE R1398C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5023 CN DUPLICATE R1398C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 5024 CN DUPLICATE R1398C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5025 CN DUPLICATE R1398C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 22000.0 ! 5026 CN DUPLICATE R1398C9H18OOOOH=>R2OH+C8H17COOOH 3.0E+0008 1.000 25000.0 ! 5027 CN DUPLICATE R1399C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0009 1.000 27500.0 ! 5028 CN DUPLICATE R1399C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 5029 CN DUPLICATE R1399C6H12OOOOH=>R2OH+C5H11COOOH 4.9E+0007 1.000 19000.0 ! 5030 CN DUPLICATE R1399C6H12OOOOH=>R2OH+C5H11COOOH 5.1E+0007 1.000 24000.0 ! 5031 CN DUPLICATE R1403C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 5032 CN DUPLICATE R1403C7H14OOOOH=>R2OH+C6H13COOOH 2.9E+0008 1.000 20000.0 ! 5033 CN DUPLICATE R1403C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 5034 CN DUPLICATE R1403C7H14OOOOH=>R2OH+C6H13COOOH 8.5E+0006 1.000 18000.0 ! 5035 CN DUPLICATE R1408C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 30500.0 ! 5036 CN DUPLICATE R1408C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5037 CN DUPLICATE R1408C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5038 CN DUPLICATE R1408C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5039 CN DUPLICATE R1408C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5040 CN DUPLICATE R1412C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5041 CN DUPLICATE R1412C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 23000.0 ! 5042 CN DUPLICATE R1412C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5043 CN DUPLICATE R1412C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5044 CN DUPLICATE R1412C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5045 CN DUPLICATE R1412C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 18000.0 ! 5046 CN DUPLICATE R1413C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5047 CN DUPLICATE R1413C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5048 CN DUPLICATE R1413C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 20000.0 ! 5049 CN DUPLICATE R1413C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5050 CN DUPLICATE R1413C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5051 CN DUPLICATE R1413C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 19000.0 ! 5052 CN DUPLICATE R1413C9H18OOOOH=>R2OH+C8H17COOOH 5.1E+0007 1.000 24000.0 ! 5053 CN DUPLICATE R1415C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5054 CN DUPLICATE R1415C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5055 CN DUPLICATE R1415C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5056 CN DUPLICATE R1415C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 19000.0 ! 5057 CN DUPLICATE R1415C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5058 CN DUPLICATE R1415C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 22000.0 ! 5059 CN DUPLICATE R1415C9H18OOOOH=>R2OH+C8H17COOOH 3.0E+0008 1.000 25000.0 ! 5060 CN DUPLICATE R1425C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 5061 CN DUPLICATE R1425C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 5062 CN DUPLICATE R1425C6H12OOOOH=>R2OH+C5H11COOOH 4.9E+0007 1.000 19000.0 ! 5063 CN DUPLICATE R1425C6H12OOOOH=>R2OH+C5H11COOOH 5.1E+0007 1.000 24000.0 ! 5064 CN DUPLICATE R1426C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5065 CN DUPLICATE R1426C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5066 CN DUPLICATE R1426C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 5067 CN DUPLICATE R1426C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5068 CN DUPLICATE R1426C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5069 CN DUPLICATE R1426C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 19000.0 ! 5070 CN DUPLICATE R1426C9H18OOOOH=>R2OH+C8H17COOOH 5.1E+0007 1.000 24000.0 ! 5071 CN DUPLICATE R1427C7H14OOOOH=>R2OH+C6H13COOOH 1.7E+0009 1.000 27500.0 ! 5072 CN DUPLICATE R1427C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 5073 CN DUPLICATE R1427C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 5074 CN DUPLICATE R1427C7H14OOOOH=>R2OH+C6H13COOOH 8.5E+0006 1.000 18000.0 ! 5075 CN DUPLICATE R1432C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 5076 CN DUPLICATE R1432C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5077 CN DUPLICATE R1432C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5078 CN DUPLICATE R1432C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5079 CN DUPLICATE R1434C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5080 CN DUPLICATE R1434C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5081 CN DUPLICATE R1434C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5082 CN DUPLICATE R1434C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5083 CN DUPLICATE R1434C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 28000.0 ! 5084 CN DUPLICATE R1436C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5085 CN DUPLICATE R1436C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5086 CN DUPLICATE R1436C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5087 CN DUPLICATE R1436C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 5088 CN DUPLICATE R1436C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5089 CN DUPLICATE R1436C9H18OOOOH=>R2OH+C8H17COOOH 3.0E+0008 1.000 25000.0 ! 5090 CN DUPLICATE R1438C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5091 CN DUPLICATE R1438C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5092 CN DUPLICATE R1438C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 5093 CN DUPLICATE R1438C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5094 CN DUPLICATE R1438C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5095 CN DUPLICATE R1438C9H18OOOOH=>R2OH+C8H17COOOH 5.1E+0007 1.000 24000.0 ! 5096 CN DUPLICATE R1440C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5097 CN DUPLICATE R1440C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 5098 CN DUPLICATE R1440C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5099 CN DUPLICATE R1440C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5100 CN DUPLICATE R1440C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5101 CN DUPLICATE R1442C4H8OOOOH=>R2OH+C3H7COOOH 1.0E+0010 1.000 35500.0 ! 5102 CN DUPLICATE R1442C4H8OOOOH=>R2OH+C3H7COOOH 3.3E+0009 1.000 30500.0 ! 5103 CN DUPLICATE R1443C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 5104 CN DUPLICATE R1443C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 5105 CN DUPLICATE R1443C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5106 CN DUPLICATE R1443C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5107 CN DUPLICATE R1443C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5108 CN DUPLICATE R1444C7H14OOOOH=>R2OH+C6H13COOOH 3.3E+0009 1.000 32500.0 ! 5109 CN DUPLICATE R1444C7H14OOOOH=>R2OH+C6H13COOOH 5.7E+0008 1.000 25000.0 ! 5110 CN DUPLICATE R1444C7H14OOOOH=>R2OH+C6H13COOOH 9.9E+0007 1.000 22000.0 ! 5111 CN DUPLICATE R1444C7H14OOOOH=>R2OH+C6H13COOOH 8.5E+0006 1.000 18000.0 ! 5112 CN DUPLICATE R1446C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5113 CN DUPLICATE R1446C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 5114 CN DUPLICATE R1446C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5115 CN DUPLICATE R1446C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5116 CN DUPLICATE R1446C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5117 CN DUPLICATE R1446C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 18000.0 ! 5118 CN DUPLICATE R1447C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 32500.0 ! 5119 CN DUPLICATE R1447C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 25000.0 ! 5120 CN DUPLICATE R1447C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 22000.0 ! 5121 CN DUPLICATE R1447C9H18OOOOH=>R2OH+C8H17COOOH 2.5E+0007 1.000 24000.0 ! 5122 CN DUPLICATE R1447C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 5123 CN DUPLICATE R1447C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 22000.0 ! 5124 CN DUPLICATE R1447C9H18OOOOH=>R2OH+C8H17COOOH 3.0E+0008 1.000 25000.0 ! 5125 CN DUPLICATE R1449C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5126 CN DUPLICATE R1449C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5127 CN DUPLICATE R1449C9H18OOOOH=>R2OH+C8H17COOOH 1.5E+0008 1.000 25000.0 ! 5128 CN DUPLICATE R1449C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5129 CN DUPLICATE R1449C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 5130 CN DUPLICATE R1449C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 19000.0 ! 5131 CN DUPLICATE R1449C9H18OOOOH=>R2OH+C8H17COOOH 5.1E+0007 1.000 24000.0 ! 5132 CN DUPLICATE R1451C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5133 CN DUPLICATE R1451C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 5134 CN DUPLICATE R1451C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5135 CN DUPLICATE R1451C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5136 CN DUPLICATE R1451C9H18OOOOH=>R2OH+C8H17COOOH 4.9E+0007 1.000 17000.0 ! 5137 CN DUPLICATE R1451C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 18000.0 ! 5138 CN DUPLICATE R1454C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 5139 CN DUPLICATE R1454C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5140 CN DUPLICATE R1454C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5141 CN DUPLICATE R1454C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5142 CN DUPLICATE R1454C9H18OOOOH=>R2OH+C8H17COOOH 8.5E+0006 1.000 16000.0 ! 5143 CN DUPLICATE R1456C9H18OOOOH=>R2OH+C8H17COOOH 1.0E+0010 1.000 35500.0 ! 5144 CN DUPLICATE R1456C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 27500.0 ! 5145 CN DUPLICATE R1456C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5146 CN DUPLICATE R1456C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5147 CN DUPLICATE R1456C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5148 CN DUPLICATE R1457C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 5149 CN DUPLICATE R1457C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 5150 CN DUPLICATE R1457C9H18OOOOH=>R2OH+C8H17COOOH 2.9E+0008 1.000 20000.0 ! 5151 CN DUPLICATE R1457C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5152 CN DUPLICATE R1457C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5153 CN DUPLICATE R1458C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 30500.0 ! 5154 CN DUPLICATE R1458C5H10OOOOH=>R2OH+C4H9COOOH 1.7E+0009 1.000 29500.0 ! 5155 CN DUPLICATE R1458C5H10OOOOH=>R2OH+C4H9COOOH 1.7E+0009 1.000 28000.0 ! 5156 CN DUPLICATE R1459C5H10OOOOH=>R2OH+C4H9COOOH 1.0E+0010 1.000 35500.0 ! 5157 CN DUPLICATE R1459C5H10OOOOH=>R2OH+C4H9COOOH 3.3E+0009 1.000 32500.0 ! 5158 CN DUPLICATE R1459C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 23000.0 ! 5159 CN DUPLICATE R1460C5H10OOOOH=>R2OH+C4H9COOOH 1.7E+0009 1.000 29500.0 ! 5160 CN DUPLICATE R1460C5H10OOOOH=>R2OH+C4H9COOOH 8.6E+0008 1.000 28000.0 ! 5161 CN DUPLICATE R1460C5H10OOOOH=>R2OH+C4H9COOOH 5.7E+0008 1.000 25000.0 ! 5162 CN DUPLICATE R1460C5H10OOOOH=>R2OH+C4H9COOOH 9.9E+0007 1.000 20000.0 ! 5163 CN DUPLICATE R1463C9H18OOOOH=>R2OH+C8H17COOOH 1.0E+0010 1.000 35500.0 ! 5164 CN DUPLICATE R1463C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5165 CN DUPLICATE R1463C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5166 CN DUPLICATE R1463C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5167 CN DUPLICATE R1463C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5168 CN DUPLICATE R1464C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0009 1.000 29500.0 ! 5169 CN DUPLICATE R1464C9H18OOOOH=>R2OH+C8H17COOOH 8.6E+0008 1.000 28000.0 ! 5170 CN DUPLICATE R1464C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5171 CN DUPLICATE R1464C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5172 CN DUPLICATE R1464C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5173 CN DUPLICATE R1465C9H18OOOOH=>R2OH+C8H17COOOH 5.0E+0009 1.000 35500.0 ! 5174 CN DUPLICATE R1465C9H18OOOOH=>R2OH+C8H17COOOH 3.3E+0009 1.000 32500.0 ! 5175 CN DUPLICATE R1465C9H18OOOOH=>R2OH+C8H17COOOH 5.7E+0008 1.000 25000.0 ! 5176 CN DUPLICATE R1465C9H18OOOOH=>R2OH+C8H17COOOH 9.9E+0007 1.000 22000.0 ! 5177 CN DUPLICATE R1465C9H18OOOOH=>R2OH+C8H17COOOH 1.7E+0007 1.000 21000.0 ! 5178 CN DUPLICATE R1466C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 30500.0 ! 5179 CN DUPLICATE R1466C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 5180 CN DUPLICATE R1466C6H12OOOOH=>R2OH+C5H11COOOH 2.9E+0008 1.000 22000.0 ! 5181 CN DUPLICATE R1466C6H12OOOOH=>R2OH+C5H11COOOH 3.0E+0008 1.000 25000.0 ! 5182 CN DUPLICATE R1467C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 5183 CN DUPLICATE R1467C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 23000.0 ! 5184 CN DUPLICATE R1467C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0009 1.000 29500.0 ! 5185 CN DUPLICATE R1467C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0009 1.000 28000.0 ! 5186 CN DUPLICATE R1468C6H12OOOOH=>R2OH+C5H11COOOH 1.0E+0010 1.000 35500.0 ! 5187 CN DUPLICATE R1468C6H12OOOOH=>R2OH+C5H11COOOH 3.3E+0009 1.000 32500.0 ! 5188 CN DUPLICATE R1468C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 5189 CN DUPLICATE R1468C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 20000.0 ! 5190 CN DUPLICATE R1469C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0009 1.000 29500.0 ! 5191 CN DUPLICATE R1469C6H12OOOOH=>R2OH+C5H11COOOH 8.6E+0008 1.000 28000.0 ! 5192 CN DUPLICATE R1469C6H12OOOOH=>R2OH+C5H11COOOH 5.7E+0008 1.000 25000.0 ! 5193 CN DUPLICATE R1469C6H12OOOOH=>R2OH+C5H11COOOH 9.9E+0007 1.000 22000.0 ! 5194 CN DUPLICATE R1469C6H12OOOOH=>R2OH+C5H11COOOH 1.7E+0007 1.000 19000.0 ! 5195 CN DUPLICATE R1476C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 5196 CN DUPLICATE R1476C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 5197 CN DUPLICATE R1476C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.5E+0008 1.000 25000.0 ! 5198 CN DUPLICATE R1476C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 5199 CN DUPLICATE R1476C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 31200.0 ! 5200 CN DUPLICATE R1476C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 16500.0 ! 5201 CN DUPLICATE R1477C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 30500.0 ! 5202 CN DUPLICATE R1477C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 36800.0 ! 5203 CN DUPLICATE R1477C7H12OOOOHZ=>R2OH+C6H11COOOHZ 1.7E+0009 1.000 31200.0 ! 5204 CN DUPLICATE R1477C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 18500.0 ! 5205 CN DUPLICATE R1477C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 17000.0 ! 5206 CN DUPLICATE R1479C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.0E+0009 1.000 35500.0 ! 5207 CN DUPLICATE R1479C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 5208 CN DUPLICATE R1479C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 25000.0 ! 5209 CN DUPLICATE R1479C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 19500.0 ! 5210 CN DUPLICATE R1479C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.5E+0006 1.000 25300.0 ! 5211 CN DUPLICATE R1480C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 5212 CN DUPLICATE R1480C7H12OOOOHZ=>R2OH+C6H11COOOHZ 8.6E+0008 1.000 28000.0 ! 5213 CN DUPLICATE R1480C7H12OOOOHZ=>R2OH+C6H11COOOHZ 3.3E+0009 1.000 32500.0 ! 5214 CN DUPLICATE R1480C7H12OOOOHZ=>R2OH+C6H11COOOHZ 5.7E+0008 1.000 22500.0 ! 5215 CN DUPLICATE R1480C7H12OOOOHZ=>R2OH+C6H11COOOHZ 4.9E+0007 1.000 26300.0 ! 5216 CN DUPLICATE R1480C7H12OOOOHZ=>R2OH+C6H11COOOHZ 9.9E+0007 1.000 23800.0 ! 5217 CN DUPLICATE R1481C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.0E+0009 1.000 35500.0 ! 5218 CN DUPLICATE R1481C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 5219 CN DUPLICATE R1481C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 22500.0 ! 5220 CN DUPLICATE R1481C6H10OOOOHZ=>R2OH+C5H9COOOHZ 4.9E+0007 1.000 26300.0 ! 5221 CN DUPLICATE R1481C6H10OOOOHZ=>R2OH+C5H9COOOHZ 9.9E+0007 1.000 23800.0 ! 5222 CN DUPLICATE R1482C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 32500.0 ! 5223 CN DUPLICATE R1482C6H10OOOOHZ=>R2OH+C5H9COOOHZ 8.6E+0008 1.000 28000.0 ! 5224 CN DUPLICATE R1482C6H10OOOOHZ=>R2OH+C5H9COOOHZ 3.3E+0009 1.000 30000.0 ! 5225 CN DUPLICATE R1482C6H10OOOOHZ=>R2OH+C5H9COOOHZ 2.9E+0008 1.000 29300.0 ! 5226 CN DUPLICATE R1482C6H10OOOOHZ=>R2OH+C5H9COOOHZ 5.7E+0008 1.000 27800.0 ! 5227 CN DUPLICATE R1483C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.0E+0009 1.000 35500.0 ! 5228 CN DUPLICATE R1483C5H8OOOOHZ=>R2OH+C4H7COOOHZ 3.3E+0009 1.000 30000.0 ! 5229 CN DUPLICATE R1483C5H8OOOOHZ=>R2OH+C4H7COOOHZ 2.9E+0008 1.000 29300.0 ! 5230 CN DUPLICATE R1483C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.7E+0008 1.000 27800.0 ! 5231 CN DUPLICATE R1484C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5232 CN DUPLICATE R1484C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5233 CN DUPLICATE R1484C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5234 CN DUPLICATE R1484C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5235 CN DUPLICATE R1484C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5236 CN DUPLICATE R1484C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.5E+0007 1.000 24000.0 ! 5237 CN DUPLICATE R1485C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5238 CN DUPLICATE R1485C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5239 CN DUPLICATE R1485C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5240 CN DUPLICATE R1485C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5241 CN DUPLICATE R1485C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 5242 CN DUPLICATE R1486C2H3CHO5H=>R2OH+CH2COCHOOOH 1.7E+0009 1.000 27500.0 ! 5243 CN DUPLICATE R1486C2H3CHO5H=>R2OH+CH2COCHOOOH 2.9E+0008 1.000 20000.0 ! 5244 CN DUPLICATE R1488C3H5CHO5H=>R2OH+C2H4COCHOOOH 3.3E+0009 1.000 32500.0 ! 5245 CN DUPLICATE R1488C3H5CHO5H=>R2OH+C2H4COCHOOOH 2.9E+0008 1.000 20000.0 ! 5246 CN DUPLICATE R1488C3H5CHO5H=>R2OH+C2H4COCHOOOH 4.9E+0007 1.000 17000.0 ! 5247 CN DUPLICATE R1491C4H7CHO5H=>R2OH+C3H6COCHOOOH 3.3E+0009 1.000 32500.0 ! 5248 CN DUPLICATE R1491C4H7CHO5H=>R2OH+C3H6COCHOOOH 5.7E+0008 1.000 25000.0 ! 5249 CN DUPLICATE R1491C4H7CHO5H=>R2OH+C3H6COCHOOOH 4.9E+0007 1.000 17000.0 ! 5250 CN DUPLICATE R1491C4H7CHO5H=>R2OH+C3H6COCHOOOH 8.5E+0006 1.000 16000.0 ! 5251 CN DUPLICATE R1496C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.0E+0009 1.000 35500.0 ! 5252 CN DUPLICATE R1496C5H8OOOOHZ=>R2OH+C4H7COOOHZ 1.7E+0009 1.000 25500.0 ! 5253 CN DUPLICATE R1496C5H8OOOOHZ=>R2OH+C4H7COOOHZ 2.9E+0008 1.000 29300.0 ! 5254 CN DUPLICATE R1496C5H8OOOOHZ=>R2OH+C4H7COOOHZ 5.7E+0008 1.000 27800.0 ! 5255 CN DUPLICATE R1502C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5256 CN DUPLICATE R1502C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5257 CN DUPLICATE R1502C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 5258 CN DUPLICATE R1502C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5259 CN DUPLICATE R1502C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5260 CN DUPLICATE R1502C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 20000.0 ! 5261 CN DUPLICATE R1503C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5262 CN DUPLICATE R1503C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 23000.0 ! 5263 CN DUPLICATE R1503C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5264 CN DUPLICATE R1503C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5265 CN DUPLICATE R1503C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5266 CN DUPLICATE R1503C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 5267 CN DUPLICATE R1505C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 30500.0 ! 5268 CN DUPLICATE R1505C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5269 CN DUPLICATE R1505C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5270 CN DUPLICATE R1505C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5271 CN DUPLICATE R1505C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 5272 CN DUPLICATE R1506C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5273 CN DUPLICATE R1506C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5274 CN DUPLICATE R1506C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5275 CN DUPLICATE R1506C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 5276 CN DUPLICATE R1507C6H12CO5H=>R2OH+C6H11OCOOOH 5.0E+0009 1.000 35500.0 ! 5277 CN DUPLICATE R1507C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 5278 CN DUPLICATE R1507C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 5279 CN DUPLICATE R1507C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 5280 CN DUPLICATE R1507C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0007 1.000 21000.0 ! 5281 CN DUPLICATE R1509C6H12CO5H=>R2OH+C6H11OCOOOH 3.3E+0009 1.000 32500.0 ! 5282 CN DUPLICATE R1509C6H12CO5H=>R2OH+C6H11OCOOOH 5.7E+0008 1.000 25000.0 ! 5283 CN DUPLICATE R1509C6H12CO5H=>R2OH+C6H11OCOOOH 9.9E+0007 1.000 22000.0 ! 5284 CN DUPLICATE R1509C6H12CO5H=>R2OH+C6H11OCOOOH 1.7E+0007 1.000 21000.0 ! 5285 CN DUPLICATE R1511C2H4COOOOOH=>R2OH+C2H3OCOOOH 3.3E+0009 1.000 32500.0 ! 5286 CN R1513C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5287 CN DUPLICATE R1513C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5288 CN DUPLICATE R1513C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5289 CN DUPLICATE R1513C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5290 CN DUPLICATE R1513C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5291 CN DUPLICATE R1513C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.5E+0007 1.000 24000.0 ! 5292 CN DUPLICATE R1514C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5293 CN DUPLICATE R1514C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5294 CN DUPLICATE R1514C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5295 CN DUPLICATE R1514C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5296 CN DUPLICATE R1514C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 5297 CN DUPLICATE R1515C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5298 CN DUPLICATE R1515C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5299 CN DUPLICATE R1515C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5300 CN DUPLICATE R1515C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5301 CN DUPLICATE R1515C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5302 CN DUPLICATE R1515C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.5E+0007 1.000 24000.0 ! 5303 CN DUPLICATE R1516C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5304 CN DUPLICATE R1516C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5305 CN DUPLICATE R1516C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5306 CN DUPLICATE R1516C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 5307 CN DUPLICATE R1516C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 5308 CN DUPLICATE R1519C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5309 CN DUPLICATE R1519C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5310 CN DUPLICATE R1519C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5311 CN DUPLICATE R1519C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 5312 CN DUPLICATE R1520C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5313 CN DUPLICATE R1520C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.6E+0008 1.000 28000.0 ! 5314 CN DUPLICATE R1520C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5315 CN DUPLICATE R1520C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5316 CN DUPLICATE R1520C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5317 CN DUPLICATE R1520C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 5318 CN DUPLICATE R1521C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5319 CN DUPLICATE R1521C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5320 CN DUPLICATE R1521C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.5E+0008 1.000 25000.0 ! 5321 CN DUPLICATE R1521C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5322 CN DUPLICATE R1521C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5323 CN DUPLICATE R1521C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 5324 CN DUPLICATE R1522C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5325 CN DUPLICATE R1522C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5326 CN DUPLICATE R1522C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5327 CN DUPLICATE R1522C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5328 CN DUPLICATE R1522C6H11CHO5H=>R2OH+C5H10COCHOOOH 4.9E+0007 1.000 17000.0 ! 5329 CN DUPLICATE R1522C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.5E+0007 1.000 24000.0 ! 5330 CN DUPLICATE R1523C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5331 CN DUPLICATE R1523C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5332 CN DUPLICATE R1523C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5333 CN DUPLICATE R1523C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5334 CN DUPLICATE R1523C6H11CHO5H=>R2OH+C5H10COCHOOOH 8.5E+0006 1.000 16000.0 ! 5335 CN DUPLICATE R1528C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5336 CN DUPLICATE R1528C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5337 CN DUPLICATE R1528C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5338 CN DUPLICATE R1528C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5339 CN DUPLICATE R1528C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5340 CN DUPLICATE R1528C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 19000.0 ! 5341 CN DUPLICATE R1535C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5342 CN DUPLICATE R1535C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0009 1.000 27500.0 ! 5343 CN DUPLICATE R1535C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5344 CN DUPLICATE R1535C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5345 CN DUPLICATE R1535C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 5346 CN DUPLICATE R1536C2H3CHO5H=>R2OH+CH2COCHOOOH 3.3E+0009 1.000 32500.0 ! 5347 CN DUPLICATE R1536C2H3CHO5H=>R2OH+CH2COCHOOOH 2.9E+0008 1.000 20000.0 ! 5348 CN DUPLICATE R1537C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5349 CN DUPLICATE R1537C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.9E+0008 1.000 20000.0 ! 5350 CN DUPLICATE R1537C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5351 CN DUPLICATE R1537C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5352 CN DUPLICATE R1537C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5353 CN DUPLICATE R1537C6H11CHO5H=>R2OH+C5H10COCHOOOH 2.5E+0007 1.000 24000.0 ! 5354 CN DUPLICATE R1538C3H5CHO5H=>R2OH+C2H4COCHOOOH 1.7E+0009 1.000 27500.0 ! 5355 CN DUPLICATE R1538C3H5CHO5H=>R2OH+C2H4COCHOOOH 5.7E+0008 1.000 25000.0 ! 5356 CN DUPLICATE R1538C3H5CHO5H=>R2OH+C2H4COCHOOOH 4.9E+0007 1.000 17000.0 ! 5357 CN DUPLICATE R1541C4H7CHO5H=>R2OH+C3H6COCHOOOH 3.3E+0009 1.000 32500.0 ! 5358 CN DUPLICATE R1541C4H7CHO5H=>R2OH+C3H6COCHOOOH 2.9E+0008 1.000 20000.0 ! 5359 CN DUPLICATE R1541C4H7CHO5H=>R2OH+C3H6COCHOOOH 9.9E+0007 1.000 22000.0 ! 5360 CN DUPLICATE R1541C4H7CHO5H=>R2OH+C3H6COCHOOOH 8.5E+0006 1.000 16000.0 ! 5361 CN DUPLICATE R1545C3H5CHO5H=>R2OH+C2H4COCHOOOH 3.3E+0009 1.000 32500.0 ! 5362 CN DUPLICATE R1545C3H5CHO5H=>R2OH+C2H4COCHOOOH 5.7E+0008 1.000 25000.0 ! 5363 CN DUPLICATE R1545C3H5CHO5H=>R2OH+C2H4COCHOOOH 4.9E+0007 1.000 17000.0 ! 5364 CN DUPLICATE R1546C4H7CHO5H=>R2OH+C3H6COCHOOOH 1.7E+0009 1.000 27500.0 ! 5365 CN DUPLICATE R1546C4H7CHO5H=>R2OH+C3H6COCHOOOH 5.7E+0008 1.000 25000.0 ! 5366 CN DUPLICATE R1546C4H7CHO5H=>R2OH+C3H6COCHOOOH 9.9E+0007 1.000 22000.0 ! 5367 CN DUPLICATE R1546C4H7CHO5H=>R2OH+C3H6COCHOOOH 8.5E+0006 1.000 16000.0 ! 5368 CN DUPLICATE R1550C4H8OOOOH=>R2OH+C3H7COOOH 8.6E+0008 1.000 35500.0 ! 5369 CN DUPLICATE R1550C4H8OOOOH=>R2OH+C3H7COOOH 1.7E+0009 1.000 27500.0 ! 5370 CN DUPLICATE R1550C4H8OOOOH=>R2OH+C3H7COOOH 8.6E+0008 1.000 28000.0 ! 5371 CN DUPLICATE R1551C4H7CHO5H=>R2OH+C3H6COCHOOOH 3.3E+0009 1.000 32500.0 ! 5372 CN DUPLICATE R1551C4H7CHO5H=>R2OH+C3H6COCHOOOH 5.7E+0008 1.000 25000.0 ! 5373 CN DUPLICATE R1551C4H7CHO5H=>R2OH+C3H6COCHOOOH 9.9E+0007 1.000 22000.0 ! 5374 CN DUPLICATE R1551C4H7CHO5H=>R2OH+C3H6COCHOOOH 8.5E+0006 1.000 16000.0 ! 5375 CN DUPLICATE R1552C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.0E+0009 1.000 35500.0 ! 5376 CN DUPLICATE R1552C6H11CHO5H=>R2OH+C5H10COCHOOOH 3.3E+0009 1.000 32500.0 ! 5377 CN DUPLICATE R1552C6H11CHO5H=>R2OH+C5H10COCHOOOH 5.7E+0008 1.000 25000.0 ! 5378 CN DUPLICATE R1552C6H11CHO5H=>R2OH+C5H10COCHOOOH 9.9E+0007 1.000 22000.0 ! 5379 CN DUPLICATE R1552C6H11CHO5H=>R2OH+C5H10COCHOOOH 1.7E+0007 1.000 21000.0 ! 5380 CN DUPLICATE R1553C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 30500.0 ! 5381 CN DUPLICATE !R1553C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 26600.0 ! 5382 CN ! DUPLICATE R1553C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5383 CN DUPLICATE R1553C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 5384 CN DUPLICATE R1553C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.5E+0008 1.000 25000.0 ! 5385 CN DUPLICATE !R1554C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 34100.0 ! 5386 CN ! DUPLICATE R1554C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0009 1.000 27500.0 ! 5387 CN DUPLICATE R1554C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 5388 CN DUPLICATE R1554C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 22000.0 ! 5389 CN DUPLICATE R1554C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 2.5E+0007 1.000 24000.0 ! 5390 CN DUPLICATE R1555C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0009 1.000 27500.0 ! 5391 CN DUPLICATE R1555C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 23000.0 ! 5392 CN DUPLICATE !R1555C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 23600.0 ! 5393 CN ! DUPLICATE R1555C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5394 CN DUPLICATE R1555C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5395 CN DUPLICATE R1555C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.5E+0008 1.000 25000.0 ! 5396 CN DUPLICATE R1556C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 30500.0 ! 5397 CN DUPLICATE !R1556C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 26600.0 ! 5398 CN ! DUPLICATE R1556C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5399 CN DUPLICATE R1556C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5400 CN DUPLICATE R1556C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 5401 CN DUPLICATE R1556C6H11OHO4H=>R2OH+C5H10OHCOOOH 2.5E+0007 1.000 24000.0 ! 5402 CN DUPLICATE !R1557C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 34100.0 ! 5403 CN ! DUPLICATE R1557C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0009 1.000 27500.0 ! 5404 CN DUPLICATE R1557C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5405 CN DUPLICATE R1557C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 5406 CN DUPLICATE R1557C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 21000.0 ! 5407 CN DUPLICATE !R1558C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 0.0E+0000 1.000 34100.0 ! 5408 CN ! DUPLICATE R1558C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 1.7E+0009 1.000 27500.0 ! 5409 CN DUPLICATE R1558C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 8.6E+0008 1.000 28000.0 ! 5410 CN DUPLICATE R1559C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.0E+0009 1.000 35500.0 ! 5411 CN DUPLICATE R1559C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 27500.0 ! 5412 CN DUPLICATE R1559C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 23000.0 ! 5413 CN DUPLICATE !R1559C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 23600.0 ! 5414 CN ! DUPLICATE R1561C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5415 CN DUPLICATE R1561C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 23000.0 ! 5416 CN DUPLICATE !R1561C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 23600.0 ! 5417 CN ! DUPLICATE R1561C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5418 CN DUPLICATE R1561C6H11OHO4H=>R2OH+C5H10OHCOOOH 2.9E+0008 1.000 20000.0 ! 5419 CN DUPLICATE R1561C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.5E+0008 1.000 25000.0 ! 5420 CN DUPLICATE R1562C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 30500.0 ! 5421 CN DUPLICATE !R1562C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 26600.0 ! 5422 CN ! DUPLICATE R1562C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 32500.0 ! 5423 CN DUPLICATE R1562C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5424 CN DUPLICATE R1562C6H11OHO4H=>R2OH+C5H10OHCOOOH 4.9E+0007 1.000 17000.0 ! 5425 CN DUPLICATE R1562C6H11OHO4H=>R2OH+C5H10OHCOOOH 2.5E+0007 1.000 24000.0 ! 5426 CN DUPLICATE !R1564C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 34100.0 ! 5427 CN ! DUPLICATE R1564C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5428 CN DUPLICATE R1564C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5429 CN DUPLICATE R1564C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 5430 CN DUPLICATE R1564C6H11OHO4H=>R2OH+C5H10OHCOOOH 8.5E+0006 1.000 16000.0 ! 5431 CN DUPLICATE R1565C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5432 CN DUPLICATE R1565C8H15OHO4H=>R2OH+C7H14OHCOOOH 8.6E+0008 1.000 28000.0 ! 5433 CN DUPLICATE R1565C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5434 CN DUPLICATE R1565C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 5435 CN DUPLICATE R1565C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 5436 CN DUPLICATE R1565C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 5437 CN DUPLICATE R1566C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.0E+0009 1.000 35500.0 ! 5438 CN DUPLICATE R1566C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5439 CN DUPLICATE R1566C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 5440 CN DUPLICATE R1566C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 5441 CN DUPLICATE R1566C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 5442 CN DUPLICATE R1567C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5443 CN DUPLICATE R1567C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 5444 CN DUPLICATE R1567C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 5445 CN DUPLICATE R1567C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 5446 CN DUPLICATE !R1569C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 34100.0 ! 5447 CN ! DUPLICATE R1569C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5448 CN DUPLICATE R1569C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 5449 CN DUPLICATE R1569C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 5450 CN DUPLICATE R1569C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 5451 CN DUPLICATE R1570C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 3.3E+0009 1.000 32500.0 ! 5452 CN DUPLICATE R1570C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 2.9E+0008 1.000 19000.0 ! 5453 CN DUPLICATE !R1570C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 0.0E+0000 1.000 23600.0 ! 5454 CN ! DUPLICATE !R1572C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 34100.0 ! 5455 CN ! DUPLICATE R1572C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5456 CN DUPLICATE R1572C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5457 CN DUPLICATE R1572C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 5458 CN DUPLICATE R1572C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 21000.0 ! 5459 CN DUPLICATE R1573C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5460 CN DUPLICATE R1573C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 5461 CN DUPLICATE R1573C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 5462 CN DUPLICATE R1573C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 5463 CN DUPLICATE R1574C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 3.3E+0009 1.000 32500.0 ! 5464 CN DUPLICATE R1574C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 5.7E+0008 1.000 23000.0 ! 5465 CN DUPLICATE !R1574C3H5OHOOOOH=>R2OH+C2H4OHCOOOH 0.0E+0000 1.000 23600.0 ! 5466 CN ! DUPLICATE R1575C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5467 CN DUPLICATE R1575C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 23000.0 ! 5468 CN DUPLICATE !R1575C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 23600.0 ! 5469 CN ! DUPLICATE R1575C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5470 CN DUPLICATE R1575C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 5471 CN DUPLICATE R1575C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 5472 CN DUPLICATE R1575C8H15OHO4H=>R2OH+C7H14OHCOOOH 1.7E+0007 1.000 21000.0 ! 5473 CN DUPLICATE R1576C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 27500.0 ! 5474 CN DUPLICATE R1576C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 25000.0 ! 5475 CN DUPLICATE R1576C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 9.9E+0007 1.000 20000.0 ! 5476 CN DUPLICATE !R1576C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 22600.0 ! 5477 CN ! DUPLICATE R1579C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5478 CN DUPLICATE R1579C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 2.9E+0008 1.000 20000.0 ! 5479 CN DUPLICATE R1579C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 22000.0 ! 5480 CN DUPLICATE R1579C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0007 1.000 19000.0 ! 5481 CN DUPLICATE R1583C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 5482 CN DUPLICATE R1583C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 25000.0 ! 5483 CN DUPLICATE R1583C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 9.9E+0007 1.000 20000.0 ! 5484 CN DUPLICATE !R1583C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 22600.0 ! 5485 CN ! DUPLICATE R1584C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 26500.0 ! 5486 CN DUPLICATE !R1584C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 26600.0 ! 5487 CN ! DUPLICATE R1584C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 32500.0 ! 5488 CN DUPLICATE R1584C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.5E+0008 1.000 28000.0 ! 5489 CN DUPLICATE R1585C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.0E+0009 1.000 35500.0 ! 5490 CN DUPLICATE R1585C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 5491 CN DUPLICATE R1585C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 2.9E+0008 1.000 19000.0 ! 5492 CN DUPLICATE !R1585C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 23600.0 ! 5493 CN ! DUPLICATE R1586C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 3.3E+0009 1.000 32500.0 ! 5494 CN DUPLICATE R1586C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.7E+0008 1.000 25000.0 ! 5495 CN DUPLICATE R1586C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 4.9E+0007 1.000 16000.0 ! 5496 CN DUPLICATE !R1586C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 0.0E+0000 1.000 22600.0 ! 5497 CN ! DUPLICATE R1588C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5498 CN DUPLICATE R1588C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 5499 CN DUPLICATE R1588C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 20000.0 ! 5500 CN DUPLICATE !R1588C8H15OHO4H=>R2OH+C7H14OHCOOOH 0.0E+0000 1.000 22600.0 ! 5501 CN ! DUPLICATE R1588C8H15OHO4H=>R2OH+C7H14OHCOOOH 3.3E+0009 1.000 32500.0 ! 5502 CN DUPLICATE R1588C8H15OHO4H=>R2OH+C7H14OHCOOOH 5.7E+0008 1.000 25000.0 ! 5503 CN DUPLICATE R1588C8H15OHO4H=>R2OH+C7H14OHCOOOH 9.9E+0007 1.000 22000.0 ! 5504 CN DUPLICATE R1588C8H15OHO4H=>R2OH+C7H14OHCOOOH 2.5E+0007 1.000 24000.0 ! 5505 CN DUPLICATE R1589C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0009 1.000 27500.0 ! 5506 CN DUPLICATE R1589C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 5507 CN DUPLICATE R1589C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 22000.0 ! 5508 CN DUPLICATE R1589C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0007 1.000 19000.0 ! 5509 CN DUPLICATE R1592C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5510 CN DUPLICATE R1592C6H11OHO4H=>R2OH+C5H10OHCOOOH 2.9E+0008 1.000 20000.0 ! 5511 CN DUPLICATE R1592C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 5512 CN DUPLICATE R1592C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 21000.0 ! 5513 CN DUPLICATE R1596C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5514 CN DUPLICATE R1596C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 8.6E+0008 1.000 28000.0 ! 5515 CN DUPLICATE R1596C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0009 1.000 27500.0 ! 5516 CN DUPLICATE R1596C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 23000.0 ! 5517 CN DUPLICATE !R1596C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 23600.0 ! 5518 CN ! DUPLICATE R1597C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.0E+0009 1.000 35500.0 ! 5519 CN DUPLICATE R1597C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5520 CN DUPLICATE R1597C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 2.9E+0008 1.000 20000.0 ! 5521 CN DUPLICATE R1597C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 20000.0 ! 5522 CN DUPLICATE !R1597C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 22600.0 ! 5523 CN ! DUPLICATE R1598C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.7E+0009 1.000 26500.0 ! 5524 CN DUPLICATE !R1598C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 26600.0 ! 5525 CN ! DUPLICATE R1598C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5526 CN DUPLICATE R1598C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 5527 CN DUPLICATE R1598C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 1.5E+0008 1.000 25000.0 ! 5528 CN DUPLICATE R1599C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5529 CN DUPLICATE R1599C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 8.6E+0008 1.000 28000.0 ! 5530 CN DUPLICATE R1599C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5531 CN DUPLICATE R1599C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 2.9E+0008 1.000 19000.0 ! 5532 CN DUPLICATE !R1599C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 23600.0 ! 5533 CN ! DUPLICATE R1600C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.0E+0009 1.000 35500.0 ! 5534 CN DUPLICATE R1600C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5535 CN DUPLICATE R1600C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 5536 CN DUPLICATE R1600C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 4.9E+0007 1.000 16000.0 ! 5537 CN DUPLICATE !R1600C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 0.0E+0000 1.000 22600.0 ! 5538 CN ! DUPLICATE R1602C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 3.3E+0009 1.000 32500.0 ! 5539 CN DUPLICATE R1602C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 5.7E+0008 1.000 25000.0 ! 5540 CN DUPLICATE R1602C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 9.9E+0007 1.000 22000.0 ! 5541 CN DUPLICATE R1602C5H9OHOOOOH=>R2OH+C4H8OHCOOOH 8.5E+0006 1.000 15000.0 ! 5542 CN DUPLICATE R1604C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 30500.0 ! 5543 CN DUPLICATE !R1604C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 26600.0 ! 5544 CN ! DUPLICATE R1604C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0009 1.000 27500.0 ! 5545 CN DUPLICATE R1604C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5546 CN DUPLICATE R1604C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 5547 CN DUPLICATE R1604C6H11OHO4H=>R2OH+C5H10OHCOOOH 2.5E+0007 1.000 24000.0 ! 5548 CN DUPLICATE !R1605C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 34100.0 ! 5549 CN ! DUPLICATE R1605C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5550 CN DUPLICATE R1605C6H11OHO4H=>R2OH+C5H10OHCOOOH 2.9E+0008 1.000 20000.0 ! 5551 CN DUPLICATE R1605C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 5552 CN DUPLICATE R1605C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 21000.0 ! 5553 CN DUPLICATE R1606C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5554 CN DUPLICATE R1606C6H11OHO4H=>R2OH+C5H10OHCOOOH 8.6E+0008 1.000 28000.0 ! 5555 CN DUPLICATE R1606C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0009 1.000 27500.0 ! 5556 CN DUPLICATE R1606C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5557 CN DUPLICATE R1606C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 20000.0 ! 5558 CN DUPLICATE !R1606C6H11OHO4H=>R2OH+C5H10OHCOOOH 0.0E+0000 1.000 22600.0 ! 5559 CN ! DUPLICATE R1607C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.0E+0009 1.000 35500.0 ! 5560 CN DUPLICATE R1607C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5561 CN DUPLICATE R1607C6H11OHO4H=>R2OH+C5H10OHCOOOH 2.9E+0008 1.000 20000.0 ! 5562 CN DUPLICATE R1607C6H11OHO4H=>R2OH+C5H10OHCOOOH 9.9E+0007 1.000 22000.0 ! 5563 CN DUPLICATE R1607C6H11OHO4H=>R2OH+C5H10OHCOOOH 1.7E+0007 1.000 19000.0 ! 5564 CN DUPLICATE R1608C6H11OHO4H=>R2OH+C5H10OHCOOOH 3.3E+0009 1.000 32500.0 ! 5565 CN DUPLICATE R1608C6H11OHO4H=>R2OH+C5H10OHCOOOH 5.7E+0008 1.000 25000.0 ! 5566 CN DUPLICATE R1608C6H11OHO4H=>R2OH+C5H10OHCOOOH 4.9E+0007 1.000 17000.0 ! 5567 CN DUPLICATE R1829C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 27500.0 ! 2120 CN DUPLICATE R1829C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 2.9E+0008 1.000 20000.0 ! 2122 CN DUPLICATE R1829C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.5E+0008 1.000 25000.0 ! 2123 CN DUPLICATE R1669C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 27500.0 ! 2051 CN DUPLICATE R1669C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 2.9E+0008 1.000 20000.0 ! 2052 CN DUPLICATE R1669C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.5E+0008 1.000 25000.0 ! 2054 CN DUPLICATE R1830C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 5.0E+0009 1.000 35500.0 ! 2145 CN DUPLICATE R1830C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 1.7E+0009 1.000 27500.0 ! 2146 CN DUPLICATE R1830C4H7OHOOOOH=>R2OH+C3H6OHCOOOH 8.6E+0008 1.000 28000.0 ! 2147 CN DUPLICATE ! beta-scissions : R19C3H7=>R4CH3+C2H4Z 2.0E+0013 0.000 31000.0 ! DE 5568 CN R20C4H9=>R11C2H5+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5569 CW R21C7H13Z=>R23C5H9Z+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5570 CW R22C6H11Z=>R24C4H7Z+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5571 CW R23C5H9Z=>R25C3H5Y+C2H4Z 3.3E+0013 0.000 22500.0 ! DE 5572 CN R24C4H7Z=>R10C2H3V+C2H4Z 2.0E+0013 0.000 35500.0 ! DE 5573 CN R26C5H11=>R19C3H7+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5574 CW !R27C8H15X=>R20C4H9+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 5575 CN ! Bian et al. IJCK 2015 47(11) 685-694 Oct-2-en-1-yl45 R27C8H15X=>R20C4H9+C4H6Z2 1.26E+014 0.100 36300.0 ! DE 5575 CN R28C6H13=>R20C4H9+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5576 CW !R29C8H15Z=>R22C6H11Z+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5577 CW ! Bian et al. IJCK 2015 47(11) 685-694 Oct-2-en-8-yl R29C8H15Z=>R22C6H11Z+C2H4Z 1.93E+013 0.200 27700.0 ! DE 5577 CW !R30C8H15Z=>R19C3H7+C5H8Z2 2.0E+0013 0.000 28700.0 ! DE 5578 CW ! Bian et al. IJCK 2015 47(11) 685-694 Oct-2-en-5-yl67 R30C8H15Z=>R19C3H7+C5H8Z2 2.76E+014 0.110 29200.0 ! DE 5578 CW R30C8H15Z=>R10C2H3V+C6H12Z 2.0E+0013 0.000 35500.0 ! DE 5579 CN R31C8H15Z=>R25C3H5Y+C5H10Z 3.3E+0013 0.000 22500.0 ! DE 5580 CN !R31C8H15Z=>R11C2H5+C6H10Z2 2.0E+0013 0.000 28700.0 ! DE 5581 CW ! Bian et al. IJCK 2015 47(11) 685-694 Oct-2-en-5-yl67 R31C8H15Z=>R11C2H5+C6H10Z2 2.76E+014 0.110 29200.0 ! DE 5581 CW !R32C8H15Z=>R24C4H7Z+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5582 CW ! Bian et al. IJCK 2015 47(11) 685-694 Oct-2-en-7-yl R32C8H15Z=>R24C4H7Z+C4H8Y 7.55E+012 0.280 27900.0 ! DE 5582 CW !R32C8H15Z=>R4CH3+C7H12Z2 2.0E+0013 0.000 31000.0 ! DE 5583 CN ! Bian et al. IJCK 2015 47(11) Oct-2-en-6-yl78 R32C8H15Z=>R4CH3+C7H12Z2 1.67E+009 0.820 19000.0 ! DE 5583 CN !R33C8H15Z=>R23C5H9Z+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5584 CW ! Bian et al. IJCK 2015 47(11) 685-694 Oct-2-en-7-yl R33C8H15Z=>R23C5H9Z+C3H6Y 7.55E+012 0.280 27900.0 ! DE 5584 CW R34C8H17=>R26C5H11+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5585 CW R35C8H17=>R28C6H13+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5586 CW !R36C8H16OH=>R2OH+C8H16Z-1 2.0E+0013 0.000 26000.0 ! DE 5587 CN R36C8H16OH=>R26C5H11+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 5588 CW !R37C8H16OH=>R2OH+C8H16Z-1 2.0E+0013 0.000 26000.0 ! DE 5589 CN R38C7H15=>R26C5H11+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5590 CW R39C9H19=>R26C5H11+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5591 CW R39C9H19=>R4CH3+C8H16Z-1 2.0E+0013 0.000 31000.0 ! DE 5592 CN R40C9H19=>R28C6H13+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5593 CW R40C9H19=>R4CH3+C8H16Z-1 2.0E+0013 0.000 31000.0 ! DE 5594 CN R44C7H13Z=>R11C2H5+C5H8Z2 2.0E+0013 0.000 28700.0 ! DE 5595 CW R44C7H13Z=>R10C2H3V+C5H10Z 2.0E+0013 0.000 35500.0 ! DE 5596 CN R45C7H13X=>R19C3H7+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 5597 CN R46C7H13V=>R20C4H9+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5598 CN R47C7H13V=>R26C5H11+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5599 CN R49C6H11X=>R11C2H5+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 5600 CN R50C6H11V=>R19C3H7+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5601 CN R51C6H11V=>R20C4H9+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5602 CN R53C5H9V=>R11C2H5+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5603 CN R54C5H9V=>R19C3H7+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5604 CN R56C4H7V=>R11C2H5+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5605 CN R59C5H11=>R11C2H5+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5606 CW R63C6H13=>R11C2H5+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5607 CW R63C6H13=>R4CH3+C5H10Z 2.0E+0013 0.000 31000.0 ! DE 5608 CN R64C6H13=>R19C3H7+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5609 CW R66C8H15V=>R26C5H11+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5610 CN R68C8H15V=>R28C6H13+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5611 CN R73C8H17=>R11C2H5+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 5612 CW R73C8H17=>R19C3H7+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5613 CW R74C8H17=>R20C4H9+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5614 CW R74C8H17=>R4CH3+C7H14Z 2.0E+0013 0.000 31000.0 ! DE 5615 CN R77C8H16OH=>R198C3H6OH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5616 CW R77C8H16OH=>R11C2H5+C6H11OHZ 2.0E+0013 0.000 28700.0 ! DE 5617 CW R78C8H16OH=>R201C4H8OH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5618 CW R78C8H16OH=>R4CH3+C7H13OHZ 2.0E+0013 0.000 31000.0 ! DE 5619 CN R79C8H16OH=>R204C5H10OH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5620 CW R80C8H16OH=>R206C6H12OH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5621 CW R82C8H16OH=>R19C3H7+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 5622 CW R83C8H16OH=>R215C3H6OH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5623 CW R83C8H16OH=>R11C2H5+C6H11OHZ 2.0E+0013 0.000 28700.0 ! DE 5624 CW R84C8H16OH=>R218C4H8OH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5625 CW R84C8H16OH=>R4CH3+C7H13OHZ 2.0E+0013 0.000 31000.0 ! DE 5626 CN R85C8H16OH=>R220C5H10OH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5627 CW R87C7H15=>R11C2H5+C5H10Z 4.0E+0013 0.000 28700.0 ! DE 5628 CW R88C7H15=>R19C3H7+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5629 CW R88C7H15=>R4CH3+C6H12Z 2.0E+0013 0.000 31000.0 ! DE 5630 CN R89C7H15=>R20C4H9+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5631 CW R91C9H19=>R20C4H9+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5632 CW R91C9H19=>R11C2H5+C7H14Z 2.0E+0013 0.000 28700.0 ! DE 5633 CW R92C9H19=>R28C6H13+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5634 CW R93C9H19=>R38C7H15+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5635 CW R95C9H19=>R245C3H7+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 5636 R95C9H19=>R19C3H7+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 5637 CW R96C9H19=>R248C4H9+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5638 CW R96C9H19=>R11C2H5+C7H14Z 2.0E+0013 0.000 28700.0 ! DE 5639 CW R97C9H19=>R251C5H11+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5640 CW R97C9H19=>R4CH3+C8H16Z 2.0E+0013 0.000 31000.0 ! DE 5641 CN R98C9H19=>R253C6H13+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5642 CW R99C3H6OOH=>R3OOH+C3H6Y 8.5E+0012 0.000 26000.0 ! DE 5643 CR R101C4H8OOH=>R3OOH+C4H8Y 8.5E+0012 0.000 26000.0 ! DE 5644 CR R101C4H8OOH=>R4CH3+C3H5OOHZ-1 2.0E+0013 0.000 31000.0 ! DE 5645 CN R103C4H8OOH=>R16C2H4OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5646 CW R104C7H12OOHZ=>R3OOH+C7H12Z2 8.5E+0012 0.000 26000.0 ! DE 5647 CR R104C7H12OOHZ=>R24C4H7Z+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5648 CW R105C7H12OOHZ=>R25C3H5Y+C4H7OOHZ 3.3E+0013 0.000 22500.0 ! DE 5649 CN R106C7H12OOHZ=>R16C2H4OOH+C5H8Z2 2.0E+0013 0.000 28700.0 ! DE 5650 CW R106C7H12OOHZ=>R10C2H3V+C5H9OOHZ 2.0E+0013 0.000 35500.0 ! DE 5651 CN R107C7H12OOHX=>R100C3H6OOH+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 5652 CN R111C7H13Z=>R24C4H7Z+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5653 CW R112C7H13Z=>R25C3H5Y+C4H8Y 3.3E+0013 0.000 22500.0 ! DE 5654 CN R112C7H13Z=>R4CH3+C6H10Z2 2.0E+0013 0.000 31000.0 ! DE 5655 CN R113C6H10OOHZ=>R3OOH+C6H10Z2 8.5E+0012 0.000 26000.0 ! DE 5656 CR R113C6H10OOHZ=>R25C3H5Y+C3H5OOHZ-1 3.3E+0013 0.000 22500.0 ! DE 5657 CN R114C6H10OOHZ=>R10C2H3V+C4H7OOHZ 2.0E+0013 0.000 35500.0 ! DE 5658 CN R115C6H10OOHX=>R16C2H4OOH+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 5659 CN R116C6H10OOHV=>R100C3H6OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5660 CN R119C6H11Z=>R25C3H5Y+C3H6Y 3.3E+0013 0.000 22500.0 ! DE 5661 CN R120C6H11Z=>R10C2H3V+C4H8Y 2.0E+0013 0.000 35500.0 ! DE 5662 CN R120C6H11Z=>R4CH3+C5H8Z2 2.0E+0013 0.000 31000.0 ! DE 5663 CN R121C5H8OOHZ=>R3OOH+C5H8Z2 8.5E+0012 0.000 26000.0 ! DE 5664 CR R121C5H8OOHZ=>R10C2H3V+C3H5OOHZ-1 2.0E+0013 0.000 35500.0 ! DE 5665 CN R123C5H8OOHV=>R16C2H4OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5666 CN R124C5H8OOHV=>R100C3H6OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5667 CN R125C5H9Z=>R10C2H3V+C3H6Y 2.0E+0013 0.000 35500.0 ! DE 5668 CN R126C4H6OOHX=>R3OOH+C4H6Z2 4.3E+0012 0.000 33200.0 ! DE 5669 CN R128C4H6OOHV=>R16C2H4OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5670 CN R129C3H4OOHV=>R3OOH+C3H4Z2 8.5E+0012 0.000 28000.0 ! DE 5671 CN R131C5H10OOH=>R3OOH+C5H10Z 8.5E+0012 0.000 26000.0 ! DE 5672 CR R131C5H10OOH=>R11C2H5+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5673 CW R132C5H10OOH=>R4CH3+C4H7OOHZ 2.0E+0013 0.000 31000.0 ! DE 5674 CN R133C5H10OOH=>R16C2H4OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5675 CW R134C5H10OOH=>R100C3H6OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5676 CW R136C8H14OOHV=>R3OOH+C8H14Z2 8.5E+0012 0.000 28000.0 ! DE 5677 CN R136C8H14OOHV=>R26C5H11+C3H3OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5678 CN R137C8H14OOHV=>R318C6H12OOH+C2H2T 2.0E+0013 0.000 31000.0 ! DE 5679 CN R138C8H14OOHZ=>R3OOH+C8H14Z213 8.5E+0012 0.000 26000.0 ! DE 5680 CR R138C8H14OOHZ=>R19C3H7+C5H7OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5681 CW R138C8H14OOHZ=>R10C2H3V+C6H11OOHZ 2.0E+0013 0.000 35500.0 ! DE 5682 CN R139C8H14OOHZ=>R321C3H4OOHX+C5H10Z 3.3E+0013 0.000 22500.0 ! DE 5683 CN R139C8H14OOHZ=>R11C2H5+C6H9OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5684 CW R140C8H14OOHZ=>R324C4H6OOHZ+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5685 CW R140C8H14OOHZ=>R4CH3+C7H11OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5686 CN R141C8H14OOHZ=>R326C5H8OOHZ+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5687 CW R142C8H14OOHV=>R3OOH+C8H14Z2 8.5E+0012 0.000 28000.0 ! DE 5688 CN R142C8H14OOHV=>R26C5H11+C3H3OOHT 2.0E+0013 0.000 33000.0 ! DE 5689 CN R143C8H14OOHV=>R20C4H9+C4H5OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5690 CN R144C6H12OOH=>R3OOH+C6H12Z 8.5E+0012 0.000 26000.0 ! DE 5691 CR R144C6H12OOH=>R19C3H7+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5692 CW R145C6H12OOH=>R11C2H5+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 5693 CW R146C6H12OOH=>R16C2H4OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5694 CW R146C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 5695 CN R147C6H12OOH=>R100C3H6OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5696 CW R150C8H14OOHZ=>R3OOH+C8H14Z2 8.5E+0012 0.000 26000.0 ! DE 5697 CR R150C8H14OOHZ=>R23C5H9Z+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5698 CW R151C8H14OOHZ=>R24C4H7Z+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 5699 CW R152C8H14OOHZ=>R16C2H4OOH+C6H10Z2 2.0E+0013 0.000 28700.0 ! DE 5700 CW R152C8H14OOHZ=>R25C3H5Y+C5H9OOHZ 3.3E+0013 0.000 22500.0 ! DE 5701 CN R153C8H14OOHZ=>R100C3H6OOH+C5H8Z2 2.0E+0013 0.000 28700.0 ! DE 5702 CW R153C8H14OOHZ=>R10C2H3V+C6H11OOHZ 2.0E+0013 0.000 35500.0 ! DE 5703 CN R154C6H13CO=>R26C5H11+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 5704 CW R155C8H14OOHX=>R3OOH+C8H14Z213 4.3E+0012 0.000 33200.0 ! DE 5705 CN R155C8H14OOHX=>R20C4H9+C4H5OOHZ2 6.5E+0012 0.000 35900.0 ! DE 5706 CN R156C8H14OOHV=>R310C5H10OOH+C3H4Z2 2.0E+0013 0.000 30000.0 ! DE 5707 CN R157C8H14OOHV=>R342C6H12OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5708 CN R158C8H14OOHZ=>R3OOH+C8H14Z2 8.5E+0012 0.000 26000.0 ! DE 5709 CR R158C8H14OOHZ=>R25C3H5Y+C5H9OOHZ 3.3E+0013 0.000 22500.0 ! DE 5710 CN R158C8H14OOHZ=>R11C2H5+C6H9OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5711 CW R159C8H14OOHZ=>R306C4H6OOHZ+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 5712 R159C8H14OOHZ=>R4CH3+C7H11OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5713 CN R160C8H14OOHZ=>R367C5H8OOHZ+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5714 CW R161C8H14OOHZ=>R369C6H10OOHZ+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5715 CW R162C8H14OOHZ=>R3OOH+C8H14Z2 8.5E+0012 0.000 26000.0 ! DE 5716 CR R162C8H14OOHZ=>R24C4H7Z+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 5717 CW R162C8H14OOHZ=>R4CH3+C7H11OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5718 CN R163C8H14OOHZ=>R302C5H8OOHZ+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 5719 R164C8H14OOHZ=>R374C6H10OOHZ+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5720 CW R165C8H14OOHZ=>R3OOH+C8H14Z2 8.5E+0012 0.000 26000.0 ! DE 5721 CR R165C8H14OOHZ=>R19C3H7+C5H7OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5722 CW R165C8H14OOHZ=>R10C2H3V+C6H11OOHZ-1 2.0E+0013 0.000 35500.0 ! DE 5723 CN R166C8H14OOHX=>R259C4H8OOH+C4H6Z2 6.5E+0012 0.000 34900.0 ! DE 5724 CN R167C8H14OOHV=>R312C5H10OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5725 CN R168C8H14OOHV=>R338C6H12OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5726 CN R169C8H14OOHZ=>R3OOH+C8H14Z2 8.5E+0012 0.000 26000.0 ! DE 5727 CR R169C8H14OOHZ=>R23C5H9Z+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 5728 CW R170C8H14OOHZ=>R289C6H10OOHZ+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 5729 R171C8H14OOHZ=>R3OOH+C8H14Z2 8.5E+0012 0.000 26000.0 ! DE 5730 CR R171C8H14OOHZ=>R25C3H5Y+C5H9OOHZ-1 3.3E+0013 0.000 22500.0 ! DE 5731 CN R171C8H14OOHZ=>R11C2H5+C6H9OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5732 CW R172C8H14OOHZ=>R384C3H6OOH+C5H8Z2 2.0E+0013 0.000 27700.0 ! DE 5733 R172C8H14OOHZ=>R10C2H3V+C6H11OOHZ 2.0E+0013 0.000 35500.0 ! DE 5734 CN R173C8H14OOHX=>R388C4H8OOH+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 5735 CN R174C8H14OOHV=>R389C5H10OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5736 CN R175C8H14OOHZ=>R3OOH+C8H14Z2 8.5E+0012 0.000 26000.0 ! DE 5737 CR R176C8H14OOHZ=>R3OOH+C8H14Z2 8.5E+0012 0.000 26000.0 ! DE 5738 CR R176C8H14OOHZ=>R24C4H7Z+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5739 CW R176C8H14OOHZ=>R4CH3+C7H11OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5740 CN R177C8H14OOHZ=>R25C3H5Y+C5H9OOHZ 3.3E+0013 0.000 22500.0 ! DE 5741 CN R178C8H14OOHZ=>R398C3H6OOH+C5H8Z2 2.0E+0013 0.000 28700.0 ! DE 5742 CW R178C8H14OOHZ=>R10C2H3V+C6H11OOHZ 2.0E+0013 0.000 35500.0 ! DE 5743 CN R179C8H14OOHX=>R401C4H8OOH+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 5744 CN R180C8H16OOH=>R3OOH+C8H16Z-1 8.5E+0012 0.000 26000.0 ! DE 5745 CR R181C8H16OOH=>R3OOH+C8H16Z 8.5E+0012 0.000 26000.0 ! DE 5746 CR R181C8H16OOH=>R20C4H9+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5747 CW R181C8H16OOH=>R4CH3+C7H13OOHZ 2.0E+0013 0.000 31000.0 ! DE 5748 CN R182C8H16OOH=>R19C3H7+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 5749 CW R183C8H16OOH=>R398C3H6OOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5750 CW R183C8H16OOH=>R11C2H5+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 5751 CW R184C8H16OOH=>R401C4H8OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5752 CW R184C8H16OOH=>R4CH3+C7H13OOHZ 2.0E+0013 0.000 31000.0 ! DE 5753 CN R187C8H16OOH=>R3OOH+C8H16Z-1 8.5E+0012 0.000 26000.0 ! DE 5754 CR R187C8H16OOH=>R26C5H11+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5755 CW R188C8H16OOH=>R20C4H9+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 5756 CW R189C8H16OOH=>R16C2H4OOH+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 5757 CW R189C8H16OOH=>R19C3H7+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 5758 CW R190C8H16OOH=>R100C3H6OOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5759 CW R190C8H16OOH=>R11C2H5+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 5760 CW R191C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5761 CR R192C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5762 CR R192C8H15OHOOH=>R6CH2OH+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 5763 CW R192C8H15OHOOH=>R20C4H9+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5764 CW R193C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5765 CW R194C8H15OHOOH=>R438C3H5OHOOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5766 CW R194C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5767 CW R195C8H15OHOOH=>R440C4H7OHOOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5768 CW R195C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 5769 CN R198C3H6OH=>R6CH2OH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5770 CW R200C8H16OH=>R6CH2OH+C7H14Z 2.0E+0013 0.000 28700.0 ! DE 5771 CW R200C8H16OH=>R20C4H9+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 5772 CW R203C8H16OH=>R19C3H7+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 5773 CW R204C5H10OH=>R198C3H6OH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5774 CW R206C6H12OH=>R201C4H8OH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5775 CW R207C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5776 CR R207C8H15OHOOH=>R26C5H11+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5777 CW R208C8H15OHOOH=>R2OH+C8H15OOHZ-2 2.0E+0013 0.000 26000.0 ! DE 5778 CN R208C8H15OHOOH=>R20C4H9+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5779 CW R209C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5780 CW R210C8H15OHOOH=>R484C3H5OHOOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5781 CW R210C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5782 CW R212C8H16OH=>R493C6H12OH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5783 CW R214C8H16OH=>R26C5H11+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 5784 CW !R215C3H6OH=>R2OH+C3H6Y 2.0E+0013 0.000 26000.0 ! DE 5785 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C3H6Y<=>R215C3H6OH 1.3E+0059 -14.17 23079.0 ! DE 2252 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C3H6Y<=>R215C3H6OH 1.03E+0050 -12.04 11493.0 ! DE 2252 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R217C8H16OH=>R2OH+C8H16Z 2.0E+0013 0.000 26000.0 ! DE 5786 CN R217C8H16OH=>R4CH3+C7H13OHZ 2.0E+0013 0.000 31000.0 ! DE 5787 CN R217C8H16OH=>R20C4H9+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 5788 CW R220C5H10OH=>R215C3H6OH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5789 CW R221C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 5790 CR R221C7H14OOH=>R20C4H9+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5791 CW R222C7H14OOH=>R19C3H7+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 5792 CW R223C7H14OOH=>R16C2H4OOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5793 CW R223C7H14OOH=>R11C2H5+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 5794 CW R224C7H14OOH=>R100C3H6OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5795 CW R224C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 5796 CN R228C9H18OOH=>R28C6H13+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 5797 CW R228C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 5798 CR R229C9H18OOH=>R525C7H14OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 5799 R230C9H18OOH=>R20C4H9+C5H9OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5800 CW R230C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 5801 CW R230C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 5802 CR R231C9H18OOH=>R384C3H6OOH+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 5803 R231C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 5804 CW R232C9H18OOH=>R388C4H8OOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5805 CW R232C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 5806 CW R233C9H18OOH=>R389C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5807 CW R233C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 5808 CN R236C9H19=>R19C3H7+C6H12Z 4.0E+0013 0.000 28700.0 ! DE 5809 CW R238C9H18OOH=>R26C5H11+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 5810 CW R238C9H18OOH=>R3OOH+C9H18Y 8.5E+0012 0.000 26000.0 ! DE 5811 CR R239C9H18OOH=>R28C6H13+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5812 CW R240C9H18OOH=>R4CH3+C8H15OOHZ-2 2.0E+0013 0.000 31000.0 ! DE 5813 CN R240C9H18OOH=>R20C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 5814 CW R241C9H18OOH=>R99C3H6OOH+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 5815 R241C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 5816 CW R242C9H18OOH=>R576C4H8OOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5817 CW R242C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 5818 CW R244C9H19=>R585C7H15+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5819 CW R247C9H19=>R26C5H11+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5820 CW R248C4H9=>R4CH3+C3H6Y 4.0E+0013 0.000 31000.0 ! DE 5821 CN R250C9H19=>R4CH3+C8H16Z 4.0E+0013 0.000 31000.0 ! DE 5822 CN R250C9H19=>R20C4H9+C5H10Y 2.0E+0013 0.000 28700.0 ! DE 5823 CW R251C5H11=>R245C3H7+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 5824 R253C6H13=>R248C4H9+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5825 CW R259C4H8OOH=>R2OH+C3H7CHO 1.0E+0009 0.000 7500.0 ! DE 5826 CW R261C7H12OOHV=>R103C4H8OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5827 CN R262C7H12OOHV=>R134C5H10OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5828 CN R265C7H12OOHZ=>R2OH+C6H11CHOZ 1.0E+0009 0.000 7500.0 ! DE 5829 CW R268C7H12OOHX=>R3OOH+C7H12Z2 4.3E+0012 0.000 33200.0 ! DE 5830 CN R268C7H12OOHX=>R19C3H7+C4H5OOHZ2 6.5E+0012 0.000 35900.0 ! DE 5831 CN R269C7H12OOHV=>R259C4H8OOH+C3H4Z2 2.0E+0013 0.000 30000.0 ! DE 5832 CN R270C7H12OOHV=>R312C5H10OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5833 CN R271C7H12OOHZ=>R3OOH+C7H12Z2 8.5E+0012 0.000 26000.0 ! DE 5834 CR R271C7H12OOHZ=>R25C3H5Y+C4H7OOHZ 3.3E+0013 0.000 22500.0 ! DE 5835 CN R271C7H12OOHZ=>R4CH3+C6H9OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5836 CN R272C7H12OOHZ=>R306C4H6OOHZ+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 5837 R273C7H12OOHZ=>R367C5H8OOHZ+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5838 CW R274C7H12OOHV=>R3OOH+C7H12Z2 8.5E+0012 0.000 28000.0 ! DE 5839 CN R274C7H12OOHV=>R20C4H9+C3H3OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5840 CN R275C7H12OOHV=>R310C5H10OOH+C2H2T 2.0E+0013 0.000 31000.0 ! DE 5841 CN R276C7H12OOHZ=>R3OOH+C7H12Z2 8.5E+0012 0.000 26000.0 ! DE 5842 CR R276C7H12OOHZ=>R10C2H3V+C5H9OOHZ 2.0E+0013 0.000 35500.0 ! DE 5843 CN R276C7H12OOHZ=>R11C2H5+C5H7OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5844 CW R277C7H12OOHZ=>R321C3H4OOHX+C4H8Y 3.3E+0013 0.000 22500.0 ! DE 5845 CN R277C7H12OOHZ=>R4CH3+C6H9OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5846 CN R278C7H12OOHZ=>R324C4H6OOHZ+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5847 CW R279C7H12OOHZ=>R326C5H8OOHZ+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5848 CW R280C7H12OOHV=>R3OOH+C7H12Z2 8.5E+0012 0.000 28000.0 ! DE 5849 CN R280C7H12OOHV=>R20C4H9+C3H3OOHT 2.0E+0013 0.000 33000.0 ! DE 5850 CN R281C7H12OOHV=>R19C3H7+C4H5OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5851 CN R285C6H10OOHV=>R103C4H8OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5852 CN R289C6H10OOHZ=>R2OH+C5H9CHOZ 1.0E+0009 0.000 7500.0 ! DE 5853 CW R290C6H10OOHV=>R3OOH+C6H10Z2 8.5E+0012 0.000 28000.0 ! DE 5854 CN R290C6H10OOHV=>R19C3H7+C3H3OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5855 CN R291C6H10OOHV=>R259C4H8OOH+C2H2T 2.0E+0013 0.000 31000.0 ! DE 5856 CN R292C6H10OOHZ=>R3OOH+C6H10Z2 8.5E+0012 0.000 26000.0 ! DE 5857 CR R292C6H10OOHZ=>R10C2H3V+C4H7OOHZ 2.0E+0013 0.000 35500.0 ! DE 5858 CN R292C6H10OOHZ=>R4CH3+C5H7OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5859 CN R293C6H10OOHZ=>R321C3H4OOHX+C3H6Y 3.3E+0013 0.000 22500.0 ! DE 5860 CN R294C6H10OOHZ=>R324C4H6OOHZ+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5861 CW R295C6H10OOHV=>R3OOH+C6H10Z2 8.5E+0012 0.000 28000.0 ! DE 5862 CN R295C6H10OOHV=>R19C3H7+C3H3OOHT 2.0E+0013 0.000 33000.0 ! DE 5863 CN R296C6H10OOHV=>R11C2H5+C4H5OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5864 CN R302C5H8OOHZ=>R2OH+C4H7CHOZ 1.0E+0009 0.000 7500.0 ! DE 5865 CW R306C4H6OOHZ=>R2OH+C3H5CHOZ 1.0E+0009 0.000 7500.0 ! DE 5866 CW R310C5H10OOH=>R2OH+C4H9CHO 1.0E+0009 0.000 7500.0 ! DE 5867 CW R312C5H10OOH=>R3OOH+C5H10Z 8.5E+0012 0.000 26000.0 ! DE 5868 CR R313C5H10OOH=>R4CH3+C4H7OOHZ 2.0E+0013 0.000 31000.0 ! DE 5869 CN ! DUPLICATE R313C5H10OOH=>R4CH3+C4H7OOHZ-1 2.0E+0013 0.000 31000.0 ! DE 5870 CN ! DUPLICATE R313C5H10OOH=>R3OOH+C5H10Y 8.5E+0012 0.000 26000.0 ! DE 5871 CR R315C5H10OOH=>R398C3H6OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5872 CW R316C8H14OOHZ=>R294C6H10OOHZ+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5873 CW R317C6H12COOOH=>R3OOH+C6H12COZ 8.5E+0012 0.000 26000.0 ! DE 5874 CR R318C6H12OOH=>R2OH+C5H11CHO 1.0E+0009 0.000 7500.0 ! DE 5875 CW R321C3H4OOHX=>R2OH+C2H3CHOZ 5.0E+0008 0.000 14700.0 ! DE 5876 CN R323C8H14OOHX=>R20C4H9+C4H5OOHZ2 6.5E+0012 0.000 35900.0 ! DE 5877 CN R323C8H14OOHX=>R2OH+C7H14COZ 5.0E+0008 0.000 14700.0 ! DE 5878 CN R324C4H6OOHZ=>R3OOH+C4H6Z2 8.5E+0012 0.000 26000.0 ! DE 5879 CR R326C5H8OOHZ=>R321C3H4OOHX+C2H4Z 3.3E+0013 0.000 22500.0 ! DE 5880 CN R327C8H14OOHZ=>R130C3H4OOHV+C5H10Z 2.0E+0013 0.000 35500.0 ! DE 5881 CN R327C8H14OOHZ=>R11C2H5+C6H9OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5882 CW R328C8H14OOHZ=>R126C4H6OOHX+C4H8Y 3.3E+0013 0.000 22500.0 ! DE 5883 CN R328C8H14OOHZ=>R4CH3+C7H11OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5884 CN R329C8H14OOHZ=>R689C5H8OOHZ+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5885 CW R330C8H14OOHZ=>R646C6H10OOHZ+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5886 CW R333C6H12OOH=>R103C4H8OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5887 CW R337C6H12OOH=>R3OOH+C6H12Z 8.5E+0012 0.000 26000.0 ! DE 5888 CR R337C6H12OOH=>R19C3H7+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 5889 CW R338C6H12OOH=>R259C4H8OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 5890 R339C6H12OOH=>R3OOH+C6H12Z 8.5E+0012 0.000 26000.0 ! DE 5891 CR R339C6H12OOH=>R11C2H5+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 5892 CW R339C6H12OOH=>R4CH3+C5H9OOHZ-1 2.0E+0013 0.000 31000.0 ! DE 5893 CN R340C6H12OOH=>R384C3H6OOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 5894 R341C6H12OOH=>R388C4H8OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5895 CW R342C6H12OOH=>R3OOH+C6H12Z 8.5E+0012 0.000 26000.0 ! DE 5896 CR R343C6H12OOH=>R3OOH+C6H12Z 8.5E+0012 0.000 26000.0 ! DE 5897 CR R343C6H12OOH=>R11C2H5+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5898 CW R343C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 5899 CN R344C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 5900 CN R345C6H12OOH=>R398C3H6OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5901 CW R346C6H12OOH=>R401C4H8OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5902 CW R348C8H14OOHX=>R103C4H8OOH+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 5903 CN R349C8H14OOHV=>R134C5H10OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5904 CN R350C8H14OOHV=>R333C6H12OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5905 CN R353C8H14OOHZ=>R2OH+C7H13CHOZ 1.0E+0009 0.000 7500.0 ! DE 5906 CW R356C6H12CHO=>R13CH2CHO+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 5907 CW R356C6H12CHO=>R11C2H5+C4H7CHOZ 2.0E+0013 0.000 28700.0 ! DE 5908 CW R357C6H12CHO=>R715C2H4CHO+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5909 CW R357C6H12CHO=>R4CH3+C5H9CHOZ 2.0E+0013 0.000 31000.0 ! DE 5910 CN R358C6H12CHO=>R718C3H6CHO+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5911 CW R359C6H12CHO=>R720C4H8CHO+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5912 CW R362C6H12COOOH=>R310C5H10OOH+CH2COZ 2.0E+0013 0.000 27700.0 ! DE 5913 R363C8H14OOHZ=>R19C3H7+C5H7OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5914 CW R363C8H14OOHZ=>R10C2H3V+C6H11OOHZ 2.0E+0013 0.000 35500.0 ! DE 5915 CN R363C8H14OOHZ=>R2OH+C7H14COZ 1.0E+0009 0.000 7500.0 ! DE 5916 CW R367C5H8OOHZ=>R3OOH+C5H8Z2 8.5E+0012 0.000 26000.0 ! DE 5917 CR R369C6H10OOHZ=>R306C4H6OOHZ+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 5918 R373C8H14OOHZ=>R25C3H5Y+C5H9OOHZ 3.3E+0013 0.000 22500.0 ! DE 5919 CN R373C8H14OOHZ=>R11C2H5+C6H9OOHZ2 2.0E+0013 0.000 28700.0 ! DE 5920 CW R373C8H14OOHZ=>R2OH+C7H14COZ 1.0E+0009 0.000 7500.0 ! DE 5921 CW R374C6H10OOHZ=>R3OOH+C6H10Z2 8.5E+0012 0.000 26000.0 ! DE 5922 CR R378C6H12COOOH=>R312C5H10OOH+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 5923 CW R380C8H14OOHV=>R341C6H12OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5924 CN R384C3H6OOH=>R2OH+C2H5CHO 1.0E+0009 0.000 7500.0 ! DE 5925 CW R387C8H14OOHZ=>R4CH3+C7H11OOHZ2 2.0E+0013 0.000 31000.0 ! DE 5926 CN R387C8H14OOHZ=>R24C4H7Z+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 5927 CW R387C8H14OOHZ=>R2OH+C7H14COZ 1.0E+0009 0.000 7500.0 ! DE 5928 CW R388C4H8OOH=>R3OOH+C4H8Y 8.5E+0012 0.000 26000.0 ! DE 5929 CR R389C5H10OOH=>R384C3H6OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 5930 R390C6H12COOOH=>R389C5H10OOH+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 5931 CW R392C8H14OOHV=>R315C5H10OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 5932 CN R394C8H14OOHV=>R346C6H12OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 5933 CN R397C8H14OOHZ=>R2OH+C7H14COZ 1.0E+0009 0.000 7500.0 ! DE 5934 CW R397C8H14OOHZ=>R23C5H9Z+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 5935 CW R398C3H6OOH=>R3OOH+C3H6Y 8.5E+0012 0.000 26000.0 ! DE 5936 CR R403C8H16OOH=>R315C5H10OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5937 CW R405C8H16OOH=>R346C6H12OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5938 CW R408C8H16OOH=>R2OH+C7H16CO 1.0E+0009 0.000 7500.0 ! DE 5939 CW R408C8H16OOH=>R26C5H11+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 5940 CW R410C8H16OOH=>R3OOH+C8H16Z 8.5E+0012 0.000 26000.0 ! DE 5941 CR R410C8H16OOH=>R20C4H9+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 5942 CW R410C8H16OOH=>R4CH3+C7H13OOHZ-1 2.0E+0013 0.000 31000.0 ! DE 5943 CN R411C8H16OOH=>R310C5H10OOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 5944 R412C8H16OOH=>R342C6H12OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5945 CW R413C8H16OOH=>R3OOH+C8H16Z 8.5E+0012 0.000 26000.0 ! DE 5946 CR R413C8H16OOH=>R19C3H7+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 5947 CW R413C8H16OOH=>R11C2H5+C6H11OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5948 CW R414C8H16OOH=>R259C4H8OOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 5949 R414C8H16OOH=>R4CH3+C7H13OOHZ 2.0E+0013 0.000 31000.0 ! DE 5950 CN R415C8H16OOH=>R312C5H10OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5951 CW R416C8H16OOH=>R338C6H12OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5952 CW R417C8H16OOH=>R3OOH+C8H16Z 8.5E+0012 0.000 26000.0 ! DE 5953 CR R417C8H16OOH=>R26C5H11+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 5954 CW R418C8H16OOH=>R318C6H12OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 5955 R419C8H16OOH=>R3OOH+C8H16Z 8.5E+0012 0.000 26000.0 ! DE 5956 CR R419C8H16OOH=>R19C3H7+C5H9OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5957 CW R419C8H16OOH=>R11C2H5+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 5958 CW R420C8H16OOH=>R384C3H6OOH+C5H10Z 2.0E+0013 0.000 27700.0 ! DE 5959 R420C8H16OOH=>R11C2H5+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 5960 CW R421C8H16OOH=>R388C4H8OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5961 CW R421C8H16OOH=>R4CH3+C7H13OOHZ 2.0E+0013 0.000 31000.0 ! DE 5962 CN R422C8H16OOH=>R389C5H10OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5963 CW R424C8H16OOH=>R103C4H8OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 5964 CW R424C8H16OOH=>R4CH3+C7H13OOHZ 2.0E+0013 0.000 31000.0 ! DE 5965 CN R425C8H16OOH=>R134C5H10OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5966 CW R426C8H16OOH=>R333C6H12OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5967 CW R429C8H16OOH=>R2OH+C7H15CHO 1.0E+0009 0.000 7500.0 ! DE 5968 CW R432C8H15OHOOH=>R777C5H9OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 5969 CW R434C8H15OHOOH=>R779C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5970 CW R437C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 5971 CN R437C8H15OHOOH=>R26C5H11+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5972 CW R437C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 5973 CW R438C3H5OHOOH=>R3OOH+C3H5OHZ 8.5E+0012 0.000 26000.0 ! DE 5974 CR R441C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5975 CR R441C8H15OHOOH=>R201C4H8OH+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 5976 CW R441C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 5977 CN R442C8H15OHOOH=>R788C5H9OHOOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 5978 R443C8H15OHOOH=>R791C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 5979 CW R444C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5980 CR R444C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5981 CW R445C8H15OHOOH=>R6CH2OH+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 5982 CW R445C8H15OHOOH=>R259C4H8OOH+C4H7OHZ 2.0E+0013 0.000 27700.0 ! DE 5983 R446C8H15OHOOH=>R312C5H10OOH+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 5984 CW R446C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 5985 CN R450C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5986 CR R450C8H15OHOOH=>R204C5H10OH+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 5987 CW R451C8H15OHOOH=>R805C6H11OHOOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 5988 R452C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5989 CR R452C8H15OHOOH=>R198C3H6OH+C5H9OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5990 CW R452C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 5991 CW R453C8H15OHOOH=>R384C3H6OOH+C5H9OHZ 2.0E+0013 0.000 27700.0 ! DE 5992 R454C8H15OHOOH=>R6CH2OH+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 5993 CW R454C8H15OHOOH=>R388C4H8OOH+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 5994 CW R455C8H15OHOOH=>R389C5H10OOH+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 5995 CW R455C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 5996 CN R459C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5997 CR R460C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 5998 CR R460C8H15OHOOH=>R201C4H8OH+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 5999 CW R460C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6000 CN R461C8H15OHOOH=>R198C3H6OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6001 CW R462C8H15OHOOH=>R398C3H6OOH+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 6002 CW R463C8H15OHOOH=>R6CH2OH+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6003 CW R463C8H15OHOOH=>R401C4H8OOH+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6004 CW !R466C5H10OH=>R2OH+C5H10Z 2.0E+0013 0.000 26000.0 ! DE 6005 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C5H10Z<=>R466C5H10OH 1.3E+0059 -14.17 23079.0 ! DE 2566 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C5H10Z<=>R466C5H10OH 1.03E+0050 -12.04 11493.0 ! DE 2566 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R466C5H10OH=>R11C2H5+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6006 CW R468C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6007 CR R468C8H15OHOOH=>R204C5H10OH+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6008 CW R469C8H15OHOOH=>R201C4H8OH+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6009 CW R470C8H15OHOOH=>R16C2H4OOH+C6H11OHZ 2.0E+0013 0.000 28700.0 ! DE 6010 CW R470C8H15OHOOH=>R198C3H6OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6011 CW R471C8H15OHOOH=>R100C3H6OOH+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 6012 CW R473C6H12OH=>R6CH2OH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 6013 CW R473C6H12OH=>R11C2H5+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6014 CW !R474C6H12OH=>R2OH+C6H12Z 2.0E+0013 0.000 26000.0 ! DE 6015 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C6H12Z<=>R474C6H12OH 1.3E+0059 -14.17 23079.0 ! DE 2566 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C6H12Z<=>R474C6H12OH 1.03E+0050 -12.04 11493.0 ! DE 2566 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R474C6H12OH=>R19C3H7+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6016 CW R477C8H15OHOOH=>R861C4H7OHOOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6017 CW R477C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6018 CN R478C8H15OHOOH=>R863C5H9OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6019 CW R479C8H15OHOOH=>R865C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6020 CW R482C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6021 CN R482C8H15OHOOH=>R2OH+C7H14OHCHO 1.0E+0009 0.000 7500.0 ! DE 6022 CW R484C3H5OHOOH=>R2OH+C3H5OOHZ-1 2.0E+0013 0.000 26000.0 ! DE 6023 CN R485C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6024 CR R485C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6025 CN R485C8H15OHOOH=>R20C4H9+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6026 CW R485C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6027 CN R486C8H15OHOOH=>R310C5H10OOH+C3H5OHY 2.0E+0013 0.000 27700.0 ! DE 6028 R487C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6029 CN R488C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6030 CR R488C8H15OHOOH=>R215C3H6OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6031 CW R488C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6032 CW R489C8H15OHOOH=>R874C4H7OHOOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6033 R489C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6034 CN R490C8H15OHOOH=>R876C5H9OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6035 CW R491C8H15OHOOH=>R878C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6036 CW R493C6H12OH=>R218C4H8OH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6037 CW R494C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6038 CR R494C8H15OHOOH=>R218C4H8OH+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6039 CW R494C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6040 CN R495C8H15OHOOH=>R889C5H9OHOOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6041 R496C8H15OHOOH=>R892C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6042 CW R497C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6043 CR R497C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6044 CW R498C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6045 CN R498C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6046 CN R498C8H15OHOOH=>R259C4H8OOH+C4H7OHZ 2.0E+0013 0.000 27700.0 ! DE 6047 R499C8H15OHOOH=>R312C5H10OOH+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6048 CW R500C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6049 CN R503C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6050 CR R503C8H15OHOOH=>R220C5H10OH+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6051 CW R504C8H15OHOOH=>R906C6H11OHOOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6052 R505C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6053 CR R505C8H15OHOOH=>R215C3H6OH+C5H9OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6054 CW R505C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6055 CW R506C8H15OHOOH=>R384C3H6OOH+C5H9OHZ 2.0E+0013 0.000 27700.0 ! DE 6056 R507C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6057 CN R507C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6058 CN R507C8H15OHOOH=>R388C4H8OOH+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6059 CW R508C8H15OHOOH=>R389C5H10OOH+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6060 CW !R511C4H8OH=>R2OH+C4H8Y 2.0E+0013 0.000 26000.0 ! DE 6061 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C4H8Y<=>R511C4H8OH 1.3E+0059 -14.17 23079.0 ! DE 2367 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C4H8Y<=>R511C4H8OH 1.03E+0050 -12.04 11493.0 ! DE 2367 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R512C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6062 CR R513C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6063 CR R513C8H15OHOOH=>R218C4H8OH+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6064 CW R513C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6065 CN R514C8H15OHOOH=>R215C3H6OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6066 CW R515C8H15OHOOH=>R398C3H6OOH+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 6067 CW R516C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6068 CN R516C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6069 CN R516C8H15OHOOH=>R401C4H8OOH+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6070 CW R518C5H10OH=>R11C2H5+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6071 CW !R519C5H10OH=>R2OH+C5H10Z 2.0E+0013 0.000 26000.0 ! DE 6072 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C5H10Z<=>R519C5H10OH 1.3E+0059 -14.17 23079.0 ! DE 2566 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C5H10Z<=>R519C5H10OH 1.03E+0050 -12.04 11493.0 ! DE 2566 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R521C7H14OOH=>R103C4H8OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6073 CW R522C7H14OOH=>R134C5H10OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6074 CW R525C7H14OOH=>R2OH+C6H13CHO 1.0E+0009 0.000 7500.0 ! DE 6075 CW R527C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 6076 CR R527C7H14OOH=>R19C3H7+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6077 CW R527C7H14OOH=>R4CH3+C6H11OOHZ-1 2.0E+0013 0.000 31000.0 ! DE 6078 CN R528C7H14OOH=>R259C4H8OOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6079 R529C7H14OOH=>R312C5H10OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6080 CW R530C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 6081 CR R530C7H14OOH=>R20C4H9+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6082 CW R531C7H14OOH=>R310C5H10OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6083 R532C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 6084 CR R532C7H14OOH=>R11C2H5+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6085 CW ! DUPLICATE R532C7H14OOH=>R11C2H5+C5H9OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6086 CW ! DUPLICATE R533C7H14OOH=>R384C3H6OOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6087 R533C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 6088 CN R534C7H14OOH=>R388C4H8OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6089 CW R535C7H14OOH=>R389C5H10OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6090 CW R536C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 6091 CR R537C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 6092 CR R537C7H14OOH=>R19C3H7+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6093 CW R537C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 6094 CN R538C7H14OOH=>R11C2H5+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6095 CW R539C7H14OOH=>R398C3H6OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6096 CW R539C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 6097 CN R540C7H14OOH=>R401C4H8OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6098 CW R542C9H18OOH=>R341C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6099 CW R545C9H18OOH=>R535C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6100 CW R548C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6101 CN R548C9H18OOH=>R26C5H11+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6102 CW R548C9H18OOH=>R2OH+C8H18CO 1.0E+0009 0.000 7500.0 ! DE 6103 CW R550C9H18OOH=>R4CH3+C8H15OOHZ-1 2.0E+0013 0.000 31000.0 ! DE 6104 CN R550C9H18OOH=>R26C5H11+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6105 CW R550C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6106 CR R551C9H18OOH=>R318C6H12OOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6107 R552C9H18OOH=>R536C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6108 CW R553C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 6109 CW ! DUPLICATE R553C9H18OOH=>R19C3H7+C6H11OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6110 CW ! DUPLICATE R553C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6111 CR R554C9H18OOH=>R259C4H8OOH+C5H10Z 2.0E+0013 0.000 27700.0 ! DE 6112 R554C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6113 CW R555C9H18OOH=>R312C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6114 CW R555C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6115 CN R556C9H18OOH=>R338C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6116 CW R557C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6117 CR R558C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6118 CN R558C9H18OOH=>R26C5H11+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6119 CW R558C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6120 CR R559C9H18OOH=>R20C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6121 CW R560C9H18OOH=>R398C3H6OOH+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 6122 CW R560C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 6123 CW R561C9H18OOH=>R401C4H8OOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 6124 CW R561C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6125 CW R563C9H18OOH=>R28C6H13+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6126 CW R563C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6127 CR R564C9H18OOH=>R26C5H11+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6128 CW R565C9H18OOH=>R16C2H4OOH+C7H14Z 2.0E+0013 0.000 28700.0 ! DE 6129 CW R565C9H18OOH=>R20C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6130 CW R566C9H18OOH=>R100C3H6OOH+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 6131 CW R566C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 6132 CW R568C9H18OOH=>R993C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6133 CW R568C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6134 CN R569C9H18OOH=>R995C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6135 CW R570C9H18OOH=>R997C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6136 CW R574C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6137 CN R574C9H18OOH=>R28C6H13+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6138 CW R574C9H18OOH=>R2OH+C8H17CHO 1.0E+0009 0.000 7500.0 ! DE 6139 CW R576C4H8OOH=>R4CH3+C3H5OOHZ-1 2.0E+0013 0.000 31000.0 ! DE 6140 CN R577C9H18OOH=>R248C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6141 CW R577C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6142 CW R577C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6143 CR R578C9H18OOH=>R1002C5H10OOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6144 R578C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6145 CN R579C9H18OOH=>R1005C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6146 CW R580C9H18OOH=>R1007C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6147 CW R581C9H18OOH=>R4CH3+C8H15OOHZ 4.0E+0013 0.000 31000.0 ! DE 6148 CN R581C9H18OOH=>R20C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6149 CW R581C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6150 CR R582C9H18OOH=>R310C5H10OOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6151 R583C9H18OOH=>R342C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6152 CW R583C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6153 CN R585C7H15=>R251C5H11+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6154 CW R587C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6155 CN R587C9H18OOH=>R251C5H11+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6156 CW R587C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6157 CR R588C9H18OOH=>R1021C6H12OOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6158 R589C9H18OOH=>R1024C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6159 CW R590C9H18OOH=>R245C3H7+C6H11OOHZ-1 2.0E+0013 0.000 27700.0 ! DE 6160 R590C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 6161 CW R590C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6162 CR R591C9H18OOH=>R4CH3+C8H15OOHZ 4.0E+0013 0.000 31000.0 ! DE 6163 CN R591C9H18OOH=>R259C4H8OOH+C5H10Y 2.0E+0013 0.000 27700.0 ! DE 6164 R592C9H18OOH=>R312C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6165 CW R593C9H18OOH=>R338C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6166 CW R593C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6167 CN R596C9H18OOH=>R253C6H13+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6168 CW R596C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6169 CR R597C9H18OOH=>R1038C7H14OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6170 R598C9H18OOH=>R248C4H9+C5H9OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6171 CW R598C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6172 CW R598C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6173 CR R599C9H18OOH=>R384C3H6OOH+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 6174 R599C9H18OOH=>R245C3H7+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6175 R600C9H18OOH=>R4CH3+C8H15OOHZ 4.0E+0013 0.000 31000.0 ! DE 6176 CN R600C9H18OOH=>R388C4H8OOH+C5H10Y 2.0E+0013 0.000 28700.0 ! DE 6177 CW R601C9H18OOH=>R389C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6178 CW R604C5H11=>R11C2H5+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6179 CW R604C5H11=>R4CH3+C4H8Y 2.0E+0013 0.000 31000.0 ! DE 6180 CN R605C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6181 CR R606C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6182 CN R606C9H18OOH=>R251C5H11+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6183 CW R606C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6184 CR R607C9H18OOH=>R248C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6185 CW R608C9H18OOH=>R398C3H6OOH+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 6186 CW R608C9H18OOH=>R245C3H7+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6187 R609C9H18OOH=>R4CH3+C8H15OOHZ 4.0E+0013 0.000 31000.0 ! DE 6188 CN R609C9H18OOH=>R401C4H8OOH+C5H10Y 2.0E+0013 0.000 28700.0 ! DE 6189 CW R611C6H13=>R11C2H5+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6190 CW R612C6H13=>R19C3H7+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6191 CW R612C6H13=>R4CH3+C5H10Z 2.0E+0013 0.000 31000.0 ! DE 6192 CN R617C7H12OOHZ=>R10C2H3V+C5H9OOHZ 2.0E+0013 0.000 35500.0 ! DE 6193 CN R617C7H12OOHZ=>R11C2H5+C5H7OOHZ2 2.0E+0013 0.000 28700.0 ! DE 6194 CW R617C7H12OOHZ=>R2OH+C6H12COZ 1.0E+0009 0.000 7500.0 ! DE 6195 CW R624C7H12OOHX=>R19C3H7+C4H5OOHZ2 6.5E+0012 0.000 35900.0 ! DE 6196 CN R624C7H12OOHX=>R2OH+C6H12COZ 5.0E+0008 0.000 14700.0 ! DE 6197 CN R626C7H12OOHZ=>R130C3H4OOHV+C4H8Y 2.0E+0013 0.000 35500.0 ! DE 6198 CN R626C7H12OOHZ=>R4CH3+C6H9OOHZ2 2.0E+0013 0.000 31000.0 ! DE 6199 CN R627C7H12OOHZ=>R126C4H6OOHX+C3H6Y 3.3E+0013 0.000 22500.0 ! DE 6200 CN R628C7H12OOHZ=>R689C5H8OOHZ+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6201 CW R629C7H12OOHZ=>R3OOH+C7H12Z2 8.5E+0012 0.000 26000.0 ! DE 6202 CR R630C7H12OOHZ=>R3OOH+C7H12Z2 8.5E+0012 0.000 26000.0 ! DE 6203 CR R630C7H12OOHZ=>R25C3H5Y+C4H7OOHZ-1 3.3E+0013 0.000 22500.0 ! DE 6204 CN R630C7H12OOHZ=>R4CH3+C6H9OOHZ2 2.0E+0013 0.000 31000.0 ! DE 6205 CN R631C7H12OOHZ=>R10C2H3V+C5H9OOHZ 2.0E+0013 0.000 35500.0 ! DE 6206 CN R632C7H12OOHX=>R398C3H6OOH+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 6207 CN R633C7H12OOHV=>R401C4H8OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 6208 CN R634C7H12OOHZ=>R3OOH+C7H12Z2 8.5E+0012 0.000 26000.0 ! DE 6209 CR R634C7H12OOHZ=>R24C4H7Z+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6210 CW R635C7H12OOHZ=>R302C5H8OOHZ+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6211 R636C7H12OOHZ=>R3OOH+C7H12Z2 8.5E+0012 0.000 26000.0 ! DE 6212 CR R636C7H12OOHZ=>R10C2H3V+C5H9OOHZ-1 2.0E+0013 0.000 35500.0 ! DE 6213 CN R636C7H12OOHZ=>R11C2H5+C5H7OOHZ2 2.0E+0013 0.000 28700.0 ! DE 6214 CW R637C7H12OOHX=>R384C3H6OOH+C4H6Z2 6.5E+0012 0.000 34900.0 ! DE 6215 CN R638C7H12OOHV=>R388C4H8OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 6216 CN R639C7H12OOHV=>R389C5H10OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 6217 CN R644C6H10OOHX=>R11C2H5+C4H5OOHZ2 6.5E+0012 0.000 35900.0 ! DE 6218 CN R644C6H10OOHX=>R2OH+C5H10COZ 5.0E+0008 0.000 14700.0 ! DE 6219 CN R645C6H10OOHZ=>R130C3H4OOHV+C3H6Y 2.0E+0013 0.000 35500.0 ! DE 6220 CN R646C6H10OOHZ=>R126C4H6OOHX+C2H4Z 3.3E+0013 0.000 22500.0 ! DE 6221 CN R647C6H10OOHZ=>R3OOH+C6H10Z2 8.5E+0012 0.000 26000.0 ! DE 6222 CR R647C6H10OOHZ=>R10C2H3V+C4H7OOHZ-1 2.0E+0013 0.000 35500.0 ! DE 6223 CN R647C6H10OOHZ=>R4CH3+C5H7OOHZ2 2.0E+0013 0.000 31000.0 ! DE 6224 CN R649C6H10OOHV=>R398C3H6OOH+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 6225 CN R650C6H10OOHV=>R401C4H8OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 6226 CN R651C6H10OOHZ=>R3OOH+C6H10Z2 8.5E+0012 0.000 26000.0 ! DE 6227 CR R651C6H10OOHZ=>R25C3H5Y+C3H5OOHZ 3.3E+0013 0.000 22500.0 ! DE 6228 CN R652C6H10OOHX=>R3OOH+C6H10Z2 4.3E+0012 0.000 33200.0 ! DE 6229 CN R652C6H10OOHX=>R11C2H5+C4H5OOHZ2 6.5E+0012 0.000 35900.0 ! DE 6230 CN R653C6H10OOHV=>R384C3H6OOH+C3H4Z2 2.0E+0013 0.000 30000.0 ! DE 6231 CN R654C6H10OOHV=>R388C4H8OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 6232 CN R656C5H8OOHX=>R3OOH+C5H8Z2 4.3E+0012 0.000 33200.0 ! DE 6233 CN R656C5H8OOHX=>R4CH3+C4H5OOHZ2 6.5E+0012 0.000 38200.0 ! DE 6234 CN R658C5H8OOHV=>R398C3H6OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 6235 CN R665C5H10OOH=>R11C2H5+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6236 CW R665C5H10OOH=>R2OH+C4H10CO 1.0E+0009 0.000 7500.0 ! DE 6237 CW R669C6H11CHOOOH=>R11C2H5+C4H6CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6238 CW R670C6H11CHOOOH=>R1109C2H3CHOOOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6239 CW R670C6H11CHOOOH=>R4CH3+C5H8CHOOOHZ 2.0E+0013 0.000 31000.0 ! DE 6240 CN R671C6H11CHOOOH=>R1111C3H5CHOOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6241 CW R672C6H11CHOOOH=>R1113C4H7CHOOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6242 CW R683C5H8OOHV=>R3OOH+C5H8Z2 8.5E+0012 0.000 28000.0 ! DE 6243 CN R683C5H8OOHV=>R11C2H5+C3H3OOHZ2 2.0E+0013 0.000 31000.0 ! DE 6244 CN R684C5H8OOHV=>R384C3H6OOH+C2H2T 2.0E+0013 0.000 31000.0 ! DE 6245 CN R688C8H14OOHX=>R3OOH+C8H14Z213 4.3E+0012 0.000 33200.0 ! DE 6246 CN R688C8H14OOHX=>R19C3H7+C5H7OOHZ2 6.5E+0012 0.000 35900.0 ! DE 6247 CN R689C5H8OOHZ=>R130C3H4OOHV+C2H4Z 2.0E+0013 0.000 35500.0 ! DE 6248 CN R697C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 6249 CN R697C6H12OOH=>R11C2H5+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6250 CW R697C6H12OOH=>R2OH+C5H12CO 1.0E+0009 0.000 7500.0 ! DE 6251 CW R702C6H12OOH=>R19C3H7+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6252 CW R702C6H12OOH=>R2OH+C5H12CO 1.0E+0009 0.000 7500.0 ! DE 6253 CW R706C6H12COOOH=>R134C5H10OOH+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 6254 CW R708C6H12COOOH=>R20C4H9+C2H3COOOHZ 2.0E+0013 0.000 28700.0 ! DE 6255 CW R708C6H12COOOH=>R3OOH+C6H12COZ 8.5E+0012 0.000 26000.0 ! DE 6256 CR R709C6H12COOOH=>R19C3H7+C3H5COOOHZ 2.0E+0013 0.000 28700.0 ! DE 6257 CW R710C6H12COOOH=>R11C2H5+C4H7COOOHZ 2.0E+0013 0.000 28700.0 ! DE 6258 CW R711C6H12COOOH=>R1136C2H4COOOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6259 CW R711C6H12COOOH=>R4CH3+C5H9COOOHZ 2.0E+0013 0.000 31000.0 ! DE 6260 CN R714C6H12CHO=>R20C4H9+C2H3CHOZ 2.0E+0013 0.000 28700.0 ! DE 6261 CW R715C2H4CHO=>R5CHO+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6262 R717C6H12CHO=>R5CHO+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 6263 R717C6H12CHO=>R19C3H7+C3H5CHOZ 2.0E+0013 0.000 28700.0 ! DE 6264 CW R718C3H6CHO=>R13CH2CHO+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6265 CW R720C4H8CHO=>R715C2H4CHO+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6266 CW R723C6H11CHOOOH=>R13CH2CHO+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6267 CW R723C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6268 CR R723C6H11CHOOOH=>R11C2H5+C4H6CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6269 CW R724C6H11CHOOOH=>R1156C2H3CHOOOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6270 R724C6H11CHOOOH=>R4CH3+C5H8CHOOOHZ 2.0E+0013 0.000 31000.0 ! DE 6271 CN R725C6H11CHOOOH=>R1159C3H5CHOOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6272 CW R726C6H11CHOOOH=>R1161C4H7CHOOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6273 CW R733C6H11CHOOOH=>R13CH2CHO+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6274 CW R733C6H11CHOOOH=>R11C2H5+C4H6CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6275 CW R733C6H11CHOOOH=>R2OH+C5H11COCHO 1.0E+0009 0.000 7500.0 ! DE 6276 CW R734C6H11CHOOOH=>R715C2H4CHO+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6277 CW R734C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6278 CR R734C6H11CHOOOH=>R4CH3+C5H8CHOOOHZ 2.0E+0013 0.000 31000.0 ! DE 6279 CN R735C6H11CHOOOH=>R1165C3H5CHOOOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6280 R736C6H11CHOOOH=>R1167C4H7CHOOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6281 CW R743C5H10OOH=>R11C2H5+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6282 CW R743C5H10OOH=>R3OOH+C5H10Y 8.5E+0012 0.000 26000.0 ! DE 6283 CR R745C6H11CHOOOH=>R13CH2CHO+C5H9OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6284 CW R745C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6285 CR R745C6H11CHOOOH=>R11C2H5+C4H6CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6286 CW R746C6H11CHOOOH=>R715C2H4CHO+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6287 CW R746C6H11CHOOOH=>R4CH3+C5H8CHOOOHZ 2.0E+0013 0.000 31000.0 ! DE 6288 CN R746C6H11CHOOOH=>R2OH+C5H11COCHO 1.0E+0009 0.000 7500.0 ! DE 6289 CW R747C6H11CHOOOH=>R718C3H6CHO+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6290 CW R747C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6291 CR R748C6H11CHOOOH=>R1176C4H7CHOOOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6292 R749C6H12COOOH=>R315C5H10OOH+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 6293 CW R759C8H16OOH=>R19C3H7+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6294 CW R759C8H16OOH=>R11C2H5+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 6295 CW R759C8H16OOH=>R2OH+C7H16CO 1.0E+0009 0.000 7500.0 ! DE 6296 CW R765C8H16OOH=>R341C6H12OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6297 CW R770C8H16OOH=>R4CH3+C7H13OOHZ 2.0E+0013 0.000 31000.0 ! DE 6298 CN R770C8H16OOH=>R2OH+C7H16CO 1.0E+0009 0.000 7500.0 ! DE 6299 CW R770C8H16OOH=>R20C4H9+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6300 CW R777C5H9OHOOH=>R438C3H5OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6301 CW R779C6H11OHOOH=>R440C4H7OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6302 CW R785C4H7OHOOH=>R3OOH+C4H7OHZ 8.5E+0012 0.000 26000.0 ! DE 6303 CR R788C5H9OHOOH=>R2OH+C4H8OHCHO 1.0E+0009 0.000 7500.0 ! DE 6304 CW R790C8H15OHOOH=>R198C3H6OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6305 CW R790C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6306 CW R790C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6307 CW R791C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6308 CR R796C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6309 CR R796C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6310 CN R796C8H15OHOOH=>R26C5H11+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6311 CW R797C8H15OHOOH=>R20C4H9+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6312 CW R798C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6313 CW R799C8H15OHOOH=>R1209C3H5OHOOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 6314 CW R799C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6315 CW R800C3H5OHOOH=>R3OOH+C3H5OHZ 8.5E+0012 0.000 26000.0 ! DE 6316 CR R800C3H5OHOOH=>R2OH+C3H5OOHZ-1 2.0E+0013 0.000 26000.0 ! DE 6317 CN R805C6H11OHOOH=>R2OH+C5H10OHCHO 1.0E+0009 0.000 7500.0 ! DE 6318 CW R809C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6319 CN R809C8H15OHOOH=>R201C4H8OH+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6320 CW R809C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6321 CW R811C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6322 CR R811C8H15OHOOH=>R2OH+C8H15OOHZ-1 2.0E+0013 0.000 26000.0 ! DE 6323 CN R811C8H15OHOOH=>R26C5H11+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6324 CW R813C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6325 CR R813C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6326 CW R814C8H15OHOOH=>R1221C3H5OHOOH+C5H10Z 2.0E+0013 0.000 27700.0 ! DE 6327 R814C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6328 CW R815C8H15OHOOH=>R1224C4H7OHOOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6329 CW R815C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6330 CN R816C8H15OHOOH=>R1226C5H9OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6331 CW R817C4H7OHOOH=>R6CH2OH+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6332 CW R817C4H7OHOOH=>R3OOH+C4H7OHZ 8.5E+0012 0.000 26000.0 ! DE 6333 CR R818C4H7OHOOH=>R2OH+C4H7OOHZ 2.0E+0013 0.000 26000.0 ! DE 6334 CN R822C8H15OHOOH=>R315C5H10OOH+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6335 CW R822C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6336 CN R827C8H15OHOOH=>R204C5H10OH+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6337 CW R827C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6338 CW R829C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6339 CR R829C8H15OHOOH=>R6CH2OH+C7H13OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6340 CW R829C8H15OHOOH=>R20C4H9+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6341 CW R830C8H15OHOOH=>R310C5H10OOH+C3H5OHZ 2.0E+0013 0.000 27700.0 ! DE 6342 R830C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6343 CN R832C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6344 CR R832C8H15OHOOH=>R198C3H6OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6345 CW R832C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6346 CW R833C8H15OHOOH=>R1230C4H7OHOOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6347 R833C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6348 CN R834C8H15OHOOH=>R1244C5H9OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6349 CW R835C8H15OHOOH=>R1246C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6350 CW R836C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6351 CR R837C5H9OHOOH=>R6CH2OH+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6352 CW R838C5H9OHOOH=>R16C2H4OOH+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6353 CW R838C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6354 CN R844C8H15OHOOH=>R6CH2OH+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6355 CW R844C8H15OHOOH=>R103C4H8OOH+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6356 CW R845C8H15OHOOH=>R134C5H10OOH+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6357 CW R845C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6358 CN R849C8H15OHOOH=>R2OH+C7H14OHCHO 1.0E+0009 0.000 7500.0 ! DE 6359 CW R851C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6360 CR R851C6H11OHOOH=>R198C3H6OH+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6361 CW R853C6H11OHOOH=>R6CH2OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6362 CW R853C6H11OHOOH=>R16C2H4OOH+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6363 CW R854C6H11OHOOH=>R100C3H6OOH+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6364 CW R854C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6365 CN R857C6H12OH=>R198C3H6OH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6366 CW R859C6H12OH=>R4CH3+C5H9OHZ 2.0E+0013 0.000 31000.0 ! DE 6367 CN R863C5H9OHOOH=>R484C3H5OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6368 CW R865C6H11OHOOH=>R861C4H7OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6369 CW R871C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6370 CW R871C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6371 CW R874C4H7OHOOH=>R2OH+C3H6OHCHO 1.0E+0009 0.000 7500.0 ! DE 6372 CW R876C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6373 CR R878C6H11OHOOH=>R874C4H7OHOOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6374 R879C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6375 CR R879C8H15OHOOH=>R220C5H10OH+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6376 CW R880C8H15OHOOH=>R218C4H8OH+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6377 CW R881C8H15OHOOH=>R16C2H4OOH+C6H11OHZ 2.0E+0013 0.000 28700.0 ! DE 6378 CW R881C8H15OHOOH=>R215C3H6OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6379 CW R882C8H15OHOOH=>R100C3H6OOH+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 6380 CW !R884C6H12OH=>R2OH+C6H12Z 2.0E+0013 0.000 26000.0 ! DE 6381 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C6H12Z<=>R884C6H12OH 1.3E+0059 -14.17 23079.0 ! DE 2566 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C6H12Z<=>R884C6H12OH 1.03E+0050 -12.04 11493.0 ! DE 2566 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R884C6H12OH=>R4CH3+C5H9OHZ 2.0E+0013 0.000 31000.0 ! DE 6382 CN R884C6H12OH=>R11C2H5+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6383 CW R885C6H12OH=>R19C3H7+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6384 CW !R886C6H12OH=>R2OH+C6H12Z 2.0E+0013 0.000 26000.0 ! DE 6385 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C6H12Z<=>R886C6H12OH 1.3E+0059 -14.17 23079.0 ! DE 2566 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C6H12Z<=>R886C6H12OH 1.03E+0050 -12.04 11493.0 ! DE 2566 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R889C5H9OHOOH=>R2OH+C4H8OHCHO 1.0E+0009 0.000 7500.0 ! DE 6386 CW R891C8H15OHOOH=>R215C3H6OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6387 CW R891C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6388 CW R891C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6389 CW R892C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6390 CR R897C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6391 CR R897C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6392 CN R898C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6393 CR R898C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6394 CN R898C8H15OHOOH=>R20C4H9+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6395 CW R898C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6396 CN R899C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6397 CW R900C8H15OHOOH=>R1328C3H5OHOOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 6398 CW R900C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6399 CW R901C8H15OHOOH=>R1330C4H7OHOOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6400 CW R901C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6401 CN R902C3H5OHOOH=>R3OOH+C3H5OHY 8.5E+0012 0.000 26000.0 ! DE 6402 CR R904C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6403 CN R906C6H11OHOOH=>R2OH+C5H10OHCHO 1.0E+0009 0.000 7500.0 ! DE 6404 CW R910C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6405 CN R910C8H15OHOOH=>R218C4H8OH+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6406 CW R910C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6407 CW R912C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6408 CR R912C8H15OHOOH=>R26C5H11+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6409 CW R913C8H15OHOOH=>R2OH+C8H15OOHZ-1 2.0E+0013 0.000 26000.0 ! DE 6410 CN R914C8H15OHOOH=>R3OOH+C8H15OHZ 8.5E+0012 0.000 26000.0 ! DE 6411 CR R914C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6412 CW R915C8H15OHOOH=>R1341C3H5OHOOH+C5H10Z 2.0E+0013 0.000 27700.0 ! DE 6413 R915C8H15OHOOH=>R11C2H5+C6H10OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6414 CW R916C8H15OHOOH=>R1344C4H7OHOOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6415 CW R916C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6416 CN R917C8H15OHOOH=>R1346C5H9OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6417 CW R918C4H7OHOOH=>R2OH+C4H7OOHZ-2 2.0E+0013 0.000 26000.0 ! DE 6418 CN R918C4H7OHOOH=>R3OOH+C4H7OHZ 8.5E+0012 0.000 26000.0 ! DE 6419 CR R918C4H7OHOOH=>R4CH3+C3H4OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6420 CN R920C4H7OHOOH=>R2OH+C4H7OOHZ 2.0E+0013 0.000 26000.0 ! DE 6421 CN R923C8H15OHOOH=>R315C5H10OOH+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6422 CW R925C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6423 CN R928C8H15OHOOH=>R220C5H10OH+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6424 CW R928C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6425 CW R930C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6426 CR R931C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6427 CN R931C5H9OHOOH=>R4CH3+C4H6OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6428 CN R932C5H9OHOOH=>R16C2H4OOH+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6429 CW R933C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6430 CN R943C7H14OOH=>R11C2H5+C5H9OOHZ 4.0E+0013 0.000 28700.0 ! DE 6431 CW R943C7H14OOH=>R2OH+C6H14CO 2.0E+0009 0.000 7500.0 ! DE 6432 CW R949C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 6433 CN R949C7H14OOH=>R19C3H7+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6434 CW R949C7H14OOH=>R2OH+C6H14CO 1.0E+0009 0.000 7500.0 ! DE 6435 CW R952C7H14OOH=>R315C5H10OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6436 CW R956C7H14OOH=>R20C4H9+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6437 CW R956C7H14OOH=>R2OH+C6H14CO 1.0E+0009 0.000 7500.0 ! DE 6438 CW R962C9H18OOH=>R529C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6439 CW R965C9H18OOH=>R20C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6440 CW R965C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6441 CW R965C9H18OOH=>R2OH+C8H18CO 1.0E+0009 0.000 7500.0 ! DE 6442 CW R971C9H18OOH=>R315C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6443 CW R971C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6444 CN R973C9H18OOH=>R346C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6445 CW R974C9H18OOH=>R952C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6446 CW R977C9H18OOH=>R28C6H13+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6447 CW R977C9H18OOH=>R2OH+C8H18CO 1.0E+0009 0.000 7500.0 ! DE 6448 CW R979C9H18OOH=>R20C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6449 CW R979C9H18OOH=>R11C2H5+C7H13OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6450 CW R979C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6451 CR R980C9H18OOH=>R310C5H10OOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6452 R980C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6453 CN R981C9H18OOH=>R342C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6454 CW R982C9H18OOH=>R531C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6455 CW R984C9H18OOH=>R103C4H8OOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 6456 CW R984C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6457 CW R985C9H18OOH=>R134C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6458 CW R985C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6459 CN R986C9H18OOH=>R333C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6460 CW R988C9H18OOH=>R522C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6461 CW R990C9H18OOH=>R2OH+C8H17CHO 1.0E+0009 0.000 7500.0 ! DE 6462 CW R993C5H10OOH=>R99C3H6OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6463 R995C6H12OOH=>R576C4H8OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6464 CW R997C7H14OOH=>R993C5H10OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6465 CW R1002C5H10OOH=>R2OH+C4H9CHO 1.0E+0009 0.000 7500.0 ! DE 6466 CW R1004C9H18OOH=>R245C3H7+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6467 R1004C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 6468 CW R1004C9H18OOH=>R2OH+C8H18CO 1.0E+0009 0.000 7500.0 ! DE 6469 CW R1005C6H12OOH=>R3OOH+C6H12Z 8.5E+0012 0.000 26000.0 ! DE 6470 CR R1007C7H14OOH=>R1002C5H10OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6471 R1011C9H18OOH=>R253C6H13+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6472 CW R1011C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6473 CR R1012C9H18OOH=>R251C5H11+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6474 CW R1013C9H18OOH=>R16C2H4OOH+C7H14Z 2.0E+0013 0.000 28700.0 ! DE 6475 CW R1013C9H18OOH=>R248C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6476 CW R1014C9H18OOH=>R100C3H6OOH+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 6477 CW R1014C9H18OOH=>R245C3H7+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6478 R1016C7H15=>R4CH3+C6H12Z 4.0E+0013 0.000 31000.0 ! DE 6479 CN R1016C7H15=>R11C2H5+C5H10Y 2.0E+0013 0.000 28700.0 ! DE 6480 CW R1017C7H15=>R19C3H7+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6481 CW R1018C7H15=>R20C4H9+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6482 CW R1018C7H15=>R4CH3+C6H12Z 2.0E+0013 0.000 31000.0 ! DE 6483 CN R1021C6H12OOH=>R2OH+C5H11CHO 1.0E+0009 0.000 7500.0 ! DE 6484 CW R1023C9H18OOH=>R248C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6485 CW R1023C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6486 CW R1023C9H18OOH=>R2OH+C8H18CO 1.0E+0009 0.000 7500.0 ! DE 6487 CW R1024C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 6488 CR R1029C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6489 CN R1029C9H18OOH=>R3OOH+C9H18Y 8.5E+0012 0.000 26000.0 ! DE 6490 CR R1029C9H18OOH=>R28C6H13+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6491 CW R1030C9H18OOH=>R4CH3+C8H15OOHZ 4.0E+0013 0.000 31000.0 ! DE 6492 CN R1030C9H18OOH=>R20C4H9+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6493 CW R1030C9H18OOH=>R3OOH+C9H18Z 1.7E+0013 0.000 26000.0 ! DE 6494 CR R1031C9H18OOH=>R1437C3H6OOH+C6H12Z 2.0E+0013 0.000 26700.0 ! DE 6495 R1031C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 6496 CW R1032C9H18OOH=>R1439C4H8OOH+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 6497 CW R1032C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6498 CW R1033C9H18OOH=>R1441C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6499 CW R1033C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6500 CN R1034C4H8OOH=>R3OOH+C4H8Y 8.5E+0012 0.000 26000.0 ! DE 6501 CR R1036C9H18OOH=>R341C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6502 CW R1036C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6503 CN R1038C7H14OOH=>R2OH+C6H13CHO 1.0E+0009 0.000 7500.0 ! DE 6504 CW R1042C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6505 CN R1042C9H18OOH=>R251C5H11+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6506 CW R1042C9H18OOH=>R2OH+C8H18CO 1.0E+0009 0.000 7500.0 ! DE 6507 CW R1044C9H18OOH=>R245C3H7+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6508 R1044C9H18OOH=>R19C3H7+C6H11OOHZ 2.0E+0013 0.000 28700.0 ! DE 6509 CW R1044C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6510 CR R1045C9H18OOH=>R1450C4H8OOH+C5H10Z 2.0E+0013 0.000 27700.0 ! DE 6511 R1045C9H18OOH=>R11C2H5+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6512 CW R1046C9H18OOH=>R1453C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6513 CW R1046C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6514 CN R1047C9H18OOH=>R1455C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6515 CW R1048C9H18OOH=>R26C5H11+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6516 CW R1048C9H18OOH=>R3OOH+C9H18Z 8.5E+0012 0.000 26000.0 ! DE 6517 CR R1049C9H18OOH=>R318C6H12OOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6518 R1049C9H18OOH=>R4CH3+C8H15OOHZ-1 2.0E+0013 0.000 31000.0 ! DE 6519 CN R1050C5H10OOH=>R4CH3+C4H7OOHZ-2 4.0E+0013 0.000 31000.0 ! DE 6520 CN R1050C5H10OOH=>R3OOH+C5H10Y 8.5E+0012 0.000 26000.0 ! DE 6521 CR R1052C5H10OOH=>R16C2H4OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6522 CW R1052C5H10OOH=>R4CH3+C4H7OOHZ 2.0E+0013 0.000 31000.0 ! DE 6523 CN R1055C9H18OOH=>R315C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6524 CW R1057C9H18OOH=>R346C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6525 CW R1057C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6526 CN R1060C9H18OOH=>R253C6H13+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6527 CW R1060C9H18OOH=>R2OH+C8H18CO 1.0E+0009 0.000 7500.0 ! DE 6528 CW R1062C6H12OOH=>R3OOH+C6H12Z 8.5E+0012 0.000 26000.0 ! DE 6529 CR R1062C6H12OOH=>R245C3H7+C3H5OOHZ-1 2.0E+0013 0.000 27700.0 ! DE 6530 R1063C6H12OOH=>R4CH3+C5H9OOHZ 4.0E+0013 0.000 31000.0 ! DE 6531 CN R1064C6H12OOH=>R16C2H4OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6532 CW R1065C6H12OOH=>R100C3H6OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6533 CW R1065C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 6534 CN R1068C6H13=>R245C3H7+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6535 R1075C7H12OOHX=>R3OOH+C7H12Z2 4.3E+0012 0.000 33200.0 ! DE 6536 CN R1075C7H12OOHX=>R11C2H5+C5H7OOHZ2 6.5E+0012 0.000 35900.0 ! DE 6537 CN R1077C7H12OOHV=>R315C5H10OOH+C2H2T 2.0E+0013 0.000 33000.0 ! DE 6538 CN R1082C7H12OOHZ=>R2OH+C6H12COZ 1.0E+0009 0.000 7500.0 ! DE 6539 CW R1082C7H12OOHZ=>R24C4H7Z+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6540 CW R1088C7H12OOHZ=>R4CH3+C6H9OOHZ2 2.0E+0013 0.000 31000.0 ! DE 6541 CN R1088C7H12OOHZ=>R25C3H5Y+C4H7OOHY 3.3E+0013 0.000 22500.0 ! DE 6542 CN R1088C7H12OOHZ=>R2OH+C6H12COZ 1.0E+0009 0.000 7500.0 ! DE 6543 CW R1096C6H10OOHZ=>R25C3H5Y+C3H5OOHY 3.3E+0013 0.000 22500.0 ! DE 6544 CN R1096C6H10OOHZ=>R2OH+C5H10COZ 1.0E+0009 0.000 7500.0 ! DE 6545 CW R1100C6H10OOHZ=>R4CH3+C5H7OOHZ2 2.0E+0013 0.000 31000.0 ! DE 6546 CN R1100C6H10OOHZ=>R10C2H3V+C4H7OOHY 2.0E+0013 0.000 35500.0 ! DE 6547 CN R1100C6H10OOHZ=>R2OH+C5H10COZ 1.0E+0009 0.000 7500.0 ! DE 6548 CW R1103C5H8OOHZ=>R10C2H3V+C3H5OOHY 2.0E+0013 0.000 35500.0 ! DE 6549 CN R1103C5H8OOHZ=>R2OH+C4H8COZ 1.0E+0009 0.000 7500.0 ! DE 6550 CW R1105C6H11CHOOOH=>R5CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6551 R1105C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6552 CR R1105C6H11CHOOOH=>R19C3H7+C3H4CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6553 CW R1108C6H11CHOOOH=>R2OH+C5H11COCHO 1.0E+0009 0.000 7500.0 ! DE 6554 CW R1108C6H11CHOOOH=>R20C4H9+C2H2CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6555 CW R1109C2H3CHOOOH=>R3OOH+C2H3CHOZ 8.5E+0012 0.000 26000.0 ! DE 6556 CR R1113C4H7CHOOOH=>R1109C2H3CHOOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6557 CW R1114C4H6OOHV=>R3OOH+C4H6Z2 8.5E+0012 0.000 28000.0 ! DE 6558 CN R1114C4H6OOHV=>R4CH3+C3H3OOHZ2 2.0E+0013 0.000 32500.0 ! DE 6559 CN R1116C5H8OOHZ=>R3OOH+C5H8Z2 8.5E+0012 0.000 26000.0 ! DE 6560 CR R1116C5H8OOHZ=>R10C2H3V+C3H5OOHZ 2.0E+0013 0.000 35500.0 ! DE 6561 CN R1117C5H9X=>R4CH3+C4H6Z2 6.5E+0012 0.000 38200.0 ! DE 6562 CN R1122C5H8OOHV=>R3OOH+C5H8Z2 8.5E+0012 0.000 28000.0 ! DE 6563 CN R1122C5H8OOHV=>R11C2H5+C3H3OOHT 2.0E+0013 0.000 33000.0 ! DE 6564 CN R1126C6H11CHOOOH=>R13CH2CHO+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6565 CW R1126C6H11CHOOOH=>R16C2H4OOH+C4H7CHOZ 2.0E+0013 0.000 28700.0 ! DE 6566 CW R1127C6H11CHOOOH=>R715C2H4CHO+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6567 CW R1128C6H11CHOOOH=>R718C3H6CHO+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6568 CW R1128C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6569 CR R1129C6H11CHOOOH=>R2OH+C5H10CHO2 1.0E+0009 0.000 7500.0 ! DE 6570 CW R1131C6H12COOOH=>R1508C3H6COOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6571 CW R1132C6H12COOOH=>R1510C4H8COOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6572 CW R1137C6H11CHOOOH=>R5CHO+C6H11OOHZ-1 2.0E+0013 0.000 27700.0 ! DE 6573 R1137C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6574 CR R1137C6H11CHOOOH=>R19C3H7+C3H4CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6575 CW R1138C6H11CHOOOH=>R259C4H8OOH+C2H3CHOZ 2.0E+0013 0.000 27700.0 ! DE 6576 R1139C6H11CHOOOH=>R5CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6577 R1139C6H11CHOOOH=>R384C3H6OOH+C3H5CHOZ 2.0E+0013 0.000 27700.0 ! DE 6578 R1140C6H11CHOOOH=>R388C4H8OOH+C2H3CHOZ 2.0E+0013 0.000 28700.0 ! DE 6579 CW R1142C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6580 CR R1143C6H11CHOOOH=>R715C2H4CHO+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6581 CW R1143C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6582 CR R1143C6H11CHOOOH=>R4CH3+C5H8CHOOOHZ 2.0E+0013 0.000 31000.0 ! DE 6583 CN R1144C6H11CHOOOH=>R13CH2CHO+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6584 CW R1145C6H11CHOOOH=>R5CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6585 R1145C6H11CHOOOH=>R398C3H6OOH+C3H5CHOZ 2.0E+0013 0.000 28700.0 ! DE 6586 CW R1146C6H11CHOOOH=>R401C4H8OOH+C2H3CHOZ 2.0E+0013 0.000 28700.0 ! DE 6587 CW R1148C3H7CO=>R11C2H5+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 6588 CW R1149C6H11CHOOOH=>R5CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6589 R1149C6H11CHOOOH=>R100C3H6OOH+C3H5CHOZ 2.0E+0013 0.000 28700.0 ! DE 6590 CW R1151C4H8CHO=>R11C2H5+C2H3CHOZ 2.0E+0013 0.000 28700.0 ! DE 6591 CW R1152C4H9CO=>R19C3H7+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 6592 CW R1153C6H11CHOOOH=>R3OOH+C6H11CHOZ 8.5E+0012 0.000 26000.0 ! DE 6593 CR R1153C6H11CHOOOH=>R20C4H9+C2H2CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6594 CW R1156C2H3CHOOOH=>R2OH+CH2CHO2 1.0E+0009 0.000 7500.0 ! DE 6595 CW R1158C6H11CHOOOH=>R5CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6596 R1158C6H11CHOOOH=>R2OH+C5H11COCHO 1.0E+0009 0.000 7500.0 ! DE 6597 CW R1158C6H11CHOOOH=>R19C3H7+C3H4CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6598 CW R1159C3H5CHOOOH=>R3OOH+C3H5CHOZ 8.5E+0012 0.000 26000.0 ! DE 6599 CR R1161C4H7CHOOOH=>R1156C2H3CHOOOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6600 R1165C3H5CHOOOH=>R2OH+C2H4CHO2 1.0E+0009 0.000 7500.0 ! DE 6601 CW R1167C4H7CHOOOH=>R3OOH+C4H7CHOZ 8.5E+0012 0.000 26000.0 ! DE 6602 CR R1168C4H8OOH=>R3OOH+C4H8Y 8.5E+0012 0.000 26000.0 ! DE 6603 CR R1168C4H8OOH=>R4CH3+C3H5OOHZ 2.0E+0013 0.000 31000.0 ! DE 6604 CN R1169C4H9=>R4CH3+C3H6Y 2.0E+0013 0.000 31000.0 ! DE 6605 CN R1170C5H11=>R4CH3+C4H8Y 4.0E+0013 0.000 31000.0 ! DE 6606 CN R1176C4H7CHOOOH=>R2OH+C3H6CHO2 1.0E+0009 0.000 7500.0 ! DE 6607 CW R1178C6H11CHOOOH=>R718C3H6CHO+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6608 CW R1178C6H11CHOOOH=>R2OH+C5H11COCHO 1.0E+0009 0.000 7500.0 ! DE 6609 CW R1183C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6610 CN R1183C5H9OHOOH=>R11C2H5+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6611 CW R1183C5H9OHOOH=>R2OH+C4H9OHCO 1.0E+0009 0.000 7500.0 ! DE 6612 CW R1184C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6613 CR R1186C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6614 CR R1186C6H11OHOOH=>R6CH2OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6615 CW R1186C6H11OHOOH=>R11C2H5+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6616 CW R1187C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6617 CN R1187C6H11OHOOH=>R19C3H7+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6618 CW R1187C6H11OHOOH=>R2OH+C5H11OHCO 1.0E+0009 0.000 7500.0 ! DE 6619 CW R1188C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6620 CR R1189C3H5OHOOH=>R3OOH+C3H5OHZ 8.5E+0012 0.000 26000.0 ! DE 6621 CR !R1190C3H6OH=>R2OH+C3H6Y 2.0E+0013 0.000 26000.0 ! DE 6622 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C3H6Y<=>R1190C3H6OH 1.3E+0059 -14.17 23079.0 ! DE 2252 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C3H6Y<=>R1190C3H6OH 1.03E+0050 -12.04 11493.0 ! DE 2252 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R1191C4H7OHOOH=>R6CH2OH+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6623 CW R1191C4H7OHOOH=>R3OOH+C4H7OHZ 8.5E+0012 0.000 26000.0 ! DE 6624 CR !R1192C4H8OH=>R2OH+C4H8Y 2.0E+0013 0.000 26000.0 ! DE 6625 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C4H8Y<=>R1192C4H8OH 1.3E+0059 -14.17 23079.0 ! DE 2367 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C4H8Y<=>R1192C4H8OH 1.03E+0050 -12.04 11493.0 ! DE 2367 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE R1192C4H8OH=>R4CH3+C3H5OHZ 2.0E+0013 0.000 31000.0 ! DE 6626 CN !OH addition Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 R2OH+C4H8Y<=>RC4H8OH 1.3E+0059 -14.17 23079.0 ! DE 2367 CN PLOG/ 0.0013 1.540E+078 -20.700 32402.0/ PLOG/ 0.0100 1.820E+077 -20.000 33874.0/ PLOG/ 0.0130 7.080E+075 -19.580 32874.0/ PLOG/ 0.0250 2.450E+073 -18.790 31361.0/ PLOG/ 0.1000 6.900E+067 -17.010 27909.0/ PLOG/ 0.1315 4.820E+066 -16.640 27162.0/ PLOG/ 1.0000 1.300E+059 -14.170 23079.0/ PLOG/ 10.0000 5.030E+053 -12.230 22976.0/ PLOG/ 100.0000 9.570E+047 -10.230 23772.0/ DUPLICATE R2OH+C4H8Y<=>RC4H8OH 1.03E+0050 -12.04 11493.0 ! DE 2367 CN PLOG/ 0.0013 4.280E+059 -15.840 11594.0/ PLOG/ 0.0100 4.850E+059 -15.510 12898.0/ PLOG/ 0.0130 1.860E+059 -15.340 12913.0/ PLOG/ 0.0250 1.770E+058 -14.930 12936.0/ PLOG/ 0.1000 9.000E+055 -14.040 12945.0/ PLOG/ 0.1315 2.660E+055 -13.850 12887.0/ PLOG/ 1.0000 1.030E+050 -12.040 11493.0/ PLOG/ 10.0000 4.280E+041 -9.350 8921.0/ PLOG/ 100.0000 1.530E+032 -6.310 6088.0/ DUPLICATE RC4H8OH=>R4CH3+C3H5OHZ 2.0E+0013 0.000 31000.0 R1198C6H11OHOOH=>R6CH2OH+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6627 CW R1199C6H11OHOOH=>R398C3H6OOH+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6628 CW R1199C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6629 CN R1202C8H15OHOOH=>R1233C4H7OHOOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6630 CW R1202C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6631 CN R1203C8H15OHOOH=>R1256C5H9OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6632 CW R1204C8H15OHOOH=>R1568C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6633 CW R1207C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6634 CW R1217C8H15OHOOH=>R1270C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6635 CW R1221C3H5OHOOH=>R2OH+C2H4OHCHO 1.0E+0009 0.000 7500.0 ! DE 6636 CW R1223C8H15OHOOH=>R6CH2OH+C7H13OOHZ 2.0E+0013 0.000 28700.0 ! DE 6637 CW R1223C8H15OHOOH=>R20C4H9+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6638 CW R1223C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6639 CW R1224C4H7OHOOH=>R3OOH+C4H7OHZ 8.5E+0012 0.000 26000.0 ! DE 6640 CR R1226C5H9OHOOH=>R1221C3H5OHOOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6641 R1230C4H7OHOOH=>R2OH+C3H6OHCHO 1.0E+0009 0.000 7500.0 ! DE 6642 CW R1231C4H7OHOOH=>R2OH+C4H7OOHZ 2.0E+0013 0.000 26000.0 ! DE 6643 CN R1231C4H7OHOOH=>R3OOH+C4H7OHZ 8.5E+0012 0.000 26000.0 ! DE 6644 CR R1231C4H7OHOOH=>R4CH3+C3H4OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6645 CN R1240C8H15OHOOH=>R19C3H7+C5H8OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6646 CW R1240C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6647 CW R1244C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6648 CR R1246C6H11OHOOH=>R1230C4H7OHOOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6649 R1251C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6650 CR R1251C5H9OHOOH=>R6CH2OH+C4H7OOHZ 2.0E+0013 0.000 28700.0 ! DE 6651 CW R1251C5H9OHOOH=>R4CH3+C4H6OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6652 CN R1253C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6653 CR R1253C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6654 CN R1253C5H9OHOOH=>R11C2H5+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6655 CW R1254C5H9OHOOH=>R4CH3+C4H6OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6656 CN R1256C5H9OHOOH=>R1209C3H5OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6657 CW R1266C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6658 CR R1266C6H11OHOOH=>R2OH+C6H11OOHZ-1 2.0E+0013 0.000 26000.0 ! DE 6659 CN R1266C6H11OHOOH=>R19C3H7+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6660 CW R1268C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6661 CR R1268C6H11OHOOH=>R4CH3+C5H8OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6662 CN R1269C6H11OHOOH=>R1221C3H5OHOOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6663 R1270C6H11OHOOH=>R1224C4H7OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6664 CW R1271C6H11OHOOH=>R4CH3+C5H8OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6665 CN R1272C6H11OHOOH=>R438C3H5OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6666 CW R1273C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6667 CR R1273C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6668 CN R1273C6H11OHOOH=>R19C3H7+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6669 CW R1274C6H11OHOOH=>R11C2H5+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6670 CW R1275C6H11OHOOH=>R4CH3+C5H8OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6671 CN R1276C6H11OHOOH=>R1209C3H5OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6672 CW R1279C4H7OHOOH=>R2OH+C4H7OOHZ 2.0E+0013 0.000 26000.0 ! DE 6673 CN R1279C4H7OHOOH=>R2OH+C3H6OHCHO 1.0E+0009 0.000 7500.0 ! DE 6674 CW R1281C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6675 CR R1281C5H9OHOOH=>R11C2H5+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6676 CW R1282C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6677 CN R1282C5H9OHOOH=>R2OH+C4H8OHCHO 1.0E+0009 0.000 7500.0 ! DE 6678 CW R1284C6H11OHOOH=>R2OH+C6H11OOHZ-2 2.0E+0013 0.000 26000.0 ! DE 6679 CN R1284C6H11OHOOH=>R11C2H5+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6680 CW R1285C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6681 CR R1285C6H11OHOOH=>R19C3H7+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6682 CW R1286C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6683 CN R1286C6H11OHOOH=>R2OH+C5H10OHCHO 1.0E+0009 0.000 7500.0 ! DE 6684 CW R1292C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6685 CN R1295C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6686 CR R1295C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6687 CN R1295C6H11OHOOH=>R11C2H5+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6688 CW R1295C6H11OHOOH=>R4CH3+C5H8OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6689 CN R1296C6H11OHOOH=>R384C3H6OOH+C3H5OHY 2.0E+0013 0.000 27700.0 ! DE 6690 R1297C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6691 CN R1299C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6692 CN R1299C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6693 CN R1299C8H15OHOOH=>R103C4H8OOH+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6694 CW R1300C8H15OHOOH=>R134C5H10OOH+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6695 CW R1301C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6696 CN R1304C8H15OHOOH=>R2OH+C7H14OHCHO 1.0E+0009 0.000 7500.0 ! DE 6697 CW R1306C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6698 CR R1306C6H11OHOOH=>R215C3H6OH+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6699 CW R1308C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6700 CN R1308C6H11OHOOH=>R4CH3+C5H8OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6701 CN R1308C6H11OHOOH=>R16C2H4OOH+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6702 CW R1309C6H11OHOOH=>R100C3H6OOH+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6703 CW R1312C6H12OH=>R215C3H6OH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6704 CW R1314C6H12OH=>R4CH3+C5H9OHZ 2.0E+0013 0.000 31000.0 ! DE 6705 CN R1319C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6706 CN R1319C6H11OHOOH=>R4CH3+C5H8OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6707 CN R1320C6H11OHOOH=>R398C3H6OOH+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6708 CW R1321C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6709 CN R1323C8H15OHOOH=>R1362C5H9OHOOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6710 CW R1325C8H15OHOOH=>R1652C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6711 CW R1328C3H5OHOOH=>R3OOH+C3H5OHY 8.5E+0012 0.000 26000.0 ! DE 6712 CR R1328C3H5OHOOH=>R2OH+C3H5OOHY 2.0E+0013 0.000 26000.0 ! DE 6713 CN R1334C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6714 CN R1337C8H15OHOOH=>R1647C6H11OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6715 CW R1341C3H5OHOOH=>R2OH+C3H5OOHZ 2.0E+0013 0.000 26000.0 ! DE 6716 CN R1341C3H5OHOOH=>R2OH+C2H4OHCHO 1.0E+0009 0.000 7500.0 ! DE 6717 CW R1343C8H15OHOOH=>R2OH+C8H15OOHZ 2.0E+0013 0.000 26000.0 ! DE 6718 CN R1343C8H15OHOOH=>R20C4H9+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6719 CW R1343C8H15OHOOH=>R4CH3+C7H12OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6720 CN R1343C8H15OHOOH=>R2OH+C7H15OHCO 1.0E+0009 0.000 7500.0 ! DE 6721 CW R1344C4H7OHOOH=>R3OOH+C4H7OHZ 8.5E+0012 0.000 26000.0 ! DE 6722 CR R1346C5H9OHOOH=>R1341C3H5OHOOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6723 R1350C4H7OHOOH=>R4CH3+C3H4OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6724 CN R1350C4H7OHOOH=>R3OOH+C4H7OHY 8.5E+0012 0.000 26000.0 ! DE 6725 CR R1351C4H7OHOOH=>R2OH+C4H7OOHZ-2 2.0E+0013 0.000 26000.0 ! DE 6726 CN R1359C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6727 CR R1359C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6728 CN R1360C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6729 CR R1360C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6730 CN R1360C5H9OHOOH=>R4CH3+C4H6OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6731 CN DUPLICATE R1360C5H9OHOOH=>R4CH3+C4H6OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6732 CN DUPLICATE R1362C5H9OHOOH=>R1328C3H5OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6733 CW R1363C5H9OHOOH=>R2OH+C5H9OOHZ-2 2.0E+0013 0.000 26000.0 ! DE 6734 CN R1363C5H9OHOOH=>R4CH3+C4H6OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6735 CN R1378C9H18OOH=>R19C3H7+C6H11OOHZ 4.0E+0013 0.000 28700.0 ! DE 6736 CW R1378C9H18OOH=>R2OH+C8H18CO 2.0E+0009 0.000 7500.0 ! DE 6737 CW R1386C5H10OOH=>R11C2H5+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6738 CW R1387C5H10OOH=>R11C2H5+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6739 CW R1387C5H10OOH=>R4CH3+C4H7OOHZ 2.0E+0013 0.000 31000.0 ! DE 6740 CN R1387C5H10OOH=>R2OH+C4H9CHO 1.0E+0009 0.000 7500.0 ! DE 6741 CW R1389C6H12OOH=>R11C2H5+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6742 CW R1389C6H12OOH=>R3OOH+C6H12Y 8.5E+0012 0.000 26000.0 ! DE 6743 CR R1390C6H12OOH=>R19C3H7+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6744 CW R1391C6H12OOH=>R19C3H7+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6745 CW R1391C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 6746 CN R1391C6H12OOH=>R2OH+C5H11CHO 1.0E+0009 0.000 7500.0 ! DE 6747 CW R1393C7H14OOH=>R11C2H5+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6748 CW R1393C7H14OOH=>R4CH3+C6H11OOHZ-2 2.0E+0013 0.000 31000.0 ! DE 6749 CN R1394C7H14OOH=>R19C3H7+C4H7OOHY 2.0E+0013 0.000 28700.0 ! DE 6750 CW R1394C7H14OOH=>R3OOH+C7H14Y 8.5E+0012 0.000 26000.0 ! DE 6751 CR R1395C7H14OOH=>R20C4H9+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6752 CW R1396C7H14OOH=>R2OH+C6H13CHO 1.0E+0009 0.000 7500.0 ! DE 6753 CW R1396C7H14OOH=>R20C4H9+C3H5OOHZ 2.0E+0013 0.000 28700.0 ! DE 6754 CW R1396C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 6755 CN R1402C6H12OOH=>R398C3H6OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6756 CW R1402C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 6757 CN R1405C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 6758 CR R1405C7H14OOH=>R11C2H5+C5H9OOHZ 2.0E+0013 0.000 28700.0 ! DE 6759 CW R1405C7H14OOH=>R4CH3+C6H11OOHZ 4.0E+0013 0.000 31000.0 ! DE 6760 CN R1406C7H14OOH=>R384C3H6OOH+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6761 R1407C7H14OOH=>R388C4H8OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6762 CW R1407C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 6763 CN R1409C9H18OOH=>R4CH3+C8H15OOHZ 4.0E+0013 0.000 31000.0 ! DE 6764 CN R1409C9H18OOH=>R103C4H8OOH+C5H10Y 2.0E+0013 0.000 28700.0 ! DE 6765 CW R1410C9H18OOH=>R134C5H10OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6766 CW R1411C9H18OOH=>R333C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6767 CW R1411C9H18OOH=>R4CH3+C8H15OOHZ 2.0E+0013 0.000 31000.0 ! DE 6768 CN R1414C9H18OOH=>R2OH+C8H17CHO 1.0E+0009 0.000 7500.0 ! DE 6769 CW R1416C7H14OOH=>R3OOH+C7H14Z 8.5E+0012 0.000 26000.0 ! DE 6770 CR R1416C7H14OOH=>R248C4H9+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6771 CW R1417C7H14OOH=>R245C3H7+C4H7OOHZ 2.0E+0013 0.000 27700.0 ! DE 6772 R1418C7H14OOH=>R4CH3+C6H11OOHZ 4.0E+0013 0.000 31000.0 ! DE 6773 CN R1418C7H14OOH=>R16C2H4OOH+C5H10Y 2.0E+0013 0.000 28700.0 ! DE 6774 CW R1419C7H14OOH=>R100C3H6OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6775 CW R1422C7H15=>R248C4H9+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6776 CW R1424C7H15=>R245C3H7+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6777 R1424C7H15=>R4CH3+C6H12Z 2.0E+0013 0.000 31000.0 ! DE 6778 CN R1429C7H14OOH=>R4CH3+C6H11OOHZ 4.0E+0013 0.000 31000.0 ! DE 6779 CN R1430C7H14OOH=>R398C3H6OOH+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6780 CW R1431C7H14OOH=>R401C4H8OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6781 CW R1431C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 6782 CN R1433C9H18OOH=>R1473C6H12OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6783 CW R1435C9H18OOH=>R1722C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6784 CW R1437C3H6OOH=>R2OH+C2H6CO 2.0E+0009 0.000 7500.0 ! DE 6785 CW R1439C4H8OOH=>R3OOH+C4H8Y 1.7E+0013 0.000 26000.0 ! DE 6786 CR R1439C4H8OOH=>R4CH3+C3H5OOHY 4.0E+0013 0.000 31000.0 ! DE 6787 CN R1441C5H10OOH=>R1437C3H6OOH+C2H4Z 2.0E+0013 0.000 26700.0 ! DE 6788 R1445C7H14OOH=>R103C4H8OOH+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6789 CW R1445C7H14OOH=>R4CH3+C6H11OOHZ 2.0E+0013 0.000 31000.0 ! DE 6790 CN R1448C9H18OOH=>R1715C7H14OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6791 CW R1450C4H8OOH=>R4CH3+C3H5OOHZ 4.0E+0013 0.000 31000.0 ! DE 6792 CN R1450C4H8OOH=>R2OH+C3H7CHO 1.0E+0009 0.000 7500.0 ! DE 6793 CW R1452C9H18OOH=>R4CH3+C8H15OOHZ 4.0E+0013 0.000 31000.0 ! DE 6794 CN R1452C9H18OOH=>R2OH+C8H18CO 1.0E+0009 0.000 7500.0 ! DE 6795 CW R1452C9H18OOH=>R20C4H9+C5H9OOHY 2.0E+0013 0.000 28700.0 ! DE 6796 CW R1453C5H10OOH=>R3OOH+C5H10Y 8.5E+0012 0.000 26000.0 ! DE 6797 CR R1455C6H12OOH=>R1450C4H8OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6798 R1461C5H10OOH=>R4CH3+C4H7OOHY 2.0E+0013 0.000 31000.0 ! DE 6799 CN R1461C5H10OOH=>R3OOH+C5H10Y 8.5E+0012 0.000 26000.0 ! DE 6800 CR R1462C5H10OOH=>R4CH3+C4H7OOHZ-2 2.0E+0013 0.000 31000.0 ! DE 6801 CN R1470C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 6802 CN R1470C6H12OOH=>R19C3H7+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6803 CW R1470C6H12OOH=>R3OOH+C6H12Y 8.5E+0012 0.000 26000.0 ! DE 6804 CR R1471C6H12OOH=>R4CH3+C5H9OOHZ 4.0E+0013 0.000 31000.0 ! DE 6805 CN DUPLICATE R1471C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 6806 CN DUPLICATE R1471C6H12OOH=>R3OOH+C6H12Y 1.7E+0013 0.000 26000.0 ! DE 6807 CR R1472C6H12OOH=>R1437C3H6OOH+C3H6Y 2.0E+0013 0.000 26700.0 ! DE 6808 R1473C6H12OOH=>R1439C4H8OOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6809 CW R1474C6H12OOH=>R4CH3+C5H9OOHZ-2 2.0E+0013 0.000 31000.0 ! DE 6810 CN ! DUPLICATE R1474C6H12OOH=>R4CH3+C5H9OOHZ 2.0E+0013 0.000 31000.0 ! DE 6811 CN ! DUPLICATE R1475C6H12OOH=>R99C3H6OOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6812 R1490C3H6COOOH=>R3OOH+C3H6COZ 8.5E+0012 0.000 26000.0 ! DE 6813 CR R1492C4H7CHOOOH=>R11C2H5+C2H2CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6814 CW R1492C4H7CHOOOH=>R2OH+C3H7COCHO 1.0E+0009 0.000 7500.0 ! DE 6815 CW R1494C4H8COOOH=>R3OOH+C4H8COZ 8.5E+0012 0.000 26000.0 ! DE 6816 CR R1499C8H14OOHV=>R20C4H9+C4H5OOHT 2.0E+0013 0.000 33000.0 ! DE 6817 CN R1500C8H14OOHV=>R19C3H7+C5H7OOHZ2 2.0E+0013 0.000 31000.0 ! DE 6818 CN R1500C8H14OOHV=>R16C2H4OOH+C6H10T 2.0E+0013 0.000 33000.0 ! DE 6819 CN R1501C8H15Z=>R51C6H11V+C2H4Z 2.0E+0013 0.000 35500.0 ! DE 6820 CN R1504C6H11CHOOOH=>R103C4H8OOH+C2H3CHOZ 2.0E+0013 0.000 28700.0 ! DE 6821 CW R1510C4H8COOOH=>R1136C2H4COOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6822 CW R1517C2H3CHOOOH=>R3OOH+C2H3CHOZ 8.5E+0012 0.000 26000.0 ! DE 6823 CR R1524C3H5CHOOOH=>R5CHO+C3H5OOHZ-1 2.0E+0013 0.000 27700.0 ! DE 6824 R1524C3H5CHOOOH=>R3OOH+C3H5CHOZ 8.5E+0012 0.000 26000.0 ! DE 6825 CR R1526C3H6COOOH=>R16C2H4OOH+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 6826 CW R1529C4H7CHOOOH=>R13CH2CHO+C3H5OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6827 CW R1529C4H7CHOOOH=>R3OOH+C4H7CHOZ 8.5E+0012 0.000 26000.0 ! DE 6828 CR R1530C4H7CHOOOH=>R5CHO+C4H7OOHZ 2.0E+0013 0.000 27700.0 ! DE 6829 R1531C4H7CHOOOH=>R16C2H4OOH+C2H3CHOZ 2.0E+0013 0.000 28700.0 ! DE 6830 CW R1532C4H8COOOH=>R100C3H6OOH+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 6831 CW R1534C4H8CHO=>R13CH2CHO+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6832 CW R1543C4H7CHOOOH=>R3OOH+C4H7CHOZ 8.5E+0012 0.000 26000.0 ! DE 6833 CR R1543C4H7CHOOOH=>R11C2H5+C2H2CHOOOHZ 2.0E+0013 0.000 28700.0 ! DE 6834 CW R1544C4H8COOOH=>R384C3H6OOH+CH2COZ 2.0E+0013 0.000 27700.0 ! DE 6835 R1549C4H8COOOH=>R398C3H6OOH+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 6836 CW R1560C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6837 CR R1560C6H11OHOOH=>R4CH3+C5H8OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6838 CN R1563C6H11OHOOH=>R198C3H6OH+C3H5OOHY 2.0E+0013 0.000 28700.0 ! DE 6839 CW R1563C6H11OHOOH=>R2OH+C5H11OHCO 1.0E+0009 0.000 7500.0 ! DE 6840 CW R1568C6H11OHOOH=>R1233C4H7OHOOH+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6841 CW R1581C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6842 CR R1581C5H9OHOOH=>R2OH+C5H9OOHZ-1 2.0E+0013 0.000 26000.0 ! DE 6843 CN R1581C5H9OHOOH=>R11C2H5+C3H4OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6844 CW R1587C4H7OHOOH=>R2OH+C3H7OHCO 1.0E+0009 0.000 7500.0 ! DE 6845 CW R1590C5H9OHOOH=>R2OH+C5H9OOHZ 2.0E+0013 0.000 26000.0 ! DE 6846 CN R1593C6H11OHOOH=>R3OOH+C6H11OHZ 8.5E+0012 0.000 26000.0 ! DE 6847 CR R1593C6H11OHOOH=>R6CH2OH+C5H9OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6848 CW R1593C6H11OHOOH=>R11C2H5+C4H6OHOOHZ 2.0E+0013 0.000 28700.0 ! DE 6849 CW R1594C6H11OHOOH=>R384C3H6OOH+C3H5OHZ 2.0E+0013 0.000 27700.0 ! DE 6850 R1594C6H11OHOOH=>R2OH+C6H11OOHZ 2.0E+0013 0.000 26000.0 ! DE 6851 CN R1601C5H9OHOOH=>R2OH+C4H9OHCO 1.0E+0009 0.000 7500.0 ! DE 6852 CW R1603C5H9OHOOH=>R3OOH+C5H9OHZ 8.5E+0012 0.000 26000.0 ! DE 6853 CR R1603C5H9OHOOH=>R6CH2OH+C4H7OOHZ-1 2.0E+0013 0.000 28700.0 ! DE 6854 CW R1603C5H9OHOOH=>R4CH3+C4H6OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 6855 CN R82C8H16OH=>R1H+CH3CHO+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 6856 R100C3H6OOH=>R2OH+HCHO+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6857 CW R102C4H8OOH=>R2OH+HCHO+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6858 CW R105C7H12OOHZ=>R2OH+HCHO+C6H10Z2 2.0E+0013 0.000 28700.0 ! DE 6859 CW R114C6H10OOHZ=>R2OH+HCHO+C5H8Z2 2.0E+0013 0.000 28700.0 ! DE 6860 CW R122C5H8OOHX=>R2OH+HCHO+C4H6Z2 6.5E+0012 0.000 35900.0 ! DE 6861 CN R127C4H6OOHV=>R2OH+HCHO+C3H4Z2 2.0E+0013 0.000 31000.0 ! DE 6862 CN R130C3H4OOHV=>R2OH+HCHO+C2H2T 2.0E+0013 0.000 33000.0 ! DE 6863 CN R132C5H10OOH=>R2OH+HCHO+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6864 CW R143C8H14OOHV=>R2OH+HCHO+C7H12T 2.0E+0013 0.000 33000.0 ! DE 6865 CN R145C6H12OOH=>R2OH+HCHO+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 6866 CW R151C8H14OOHZ=>R2OH+HCHO+C7H12Z2 2.0E+0013 0.000 28700.0 ! DE 6867 CW R177C8H14OOHZ=>R2OH+CH3CHO+C6H10Z2 2.0E+0013 0.000 27700.0 ! DE 6868 R182C8H16OOH=>R2OH+CH3CHO+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 6869 R188C8H16OOH=>R2OH+HCHO+C7H14Z 2.0E+0013 0.000 28700.0 ! DE 6870 CW R193C8H15OHOOH=>R2OH+2HCHO+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 6871 R208C8H15OHOOH=>R2OH+HCHO+C7H13OHZ 2.0E+0013 0.000 28700.0 ! DE 6872 CW R209C8H15OHOOH=>CH3CHO+R3OOH+C6H12Z 2.0E+0013 0.000 27700.0 ! DE 6873 R218C4H8OH=>R1H+CH3CHO+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6874 R222C7H14OOH=>R2OH+HCHO+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 6875 CW R239C9H18OOH=>R2OH+HCHO+C8H16Z-1 2.0E+0013 0.000 28700.0 ! DE 6876 CW R240C9H18OOH=>R2OH+HCHO+C8H16Z 2.0E+0013 0.000 28700.0 ! DE 6877 CW R281C7H12OOHV=>R2OH+HCHO+C6H10T 2.0E+0013 0.000 33000.0 ! DE 6878 CN R296C6H10OOHV=>R2OH+HCHO+C5H8T 2.0E+0013 0.000 33000.0 ! DE 6879 CN R314C5H10OOH=>R2OH+CH3CHO+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6880 R344C6H12OOH=>R2OH+CH3CHO+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6881 R401C4H8OOH=>R2OH+CH3CHO+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6882 R440C4H7OHOOH=>R2OH+2HCHO+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6883 R461C8H15OHOOH=>R2OH+CH3CHO+C6H11OHZ 2.0E+0013 0.000 27700.0 ! DE 6884 R469C8H15OHOOH=>R2OH+HCHO+C7H13OHZ 2.0E+0013 0.000 28700.0 ! DE 6885 CW R497C8H15OHOOH=>R1H+CH3CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6886 R506C8H15OHOOH=>R1H+CH3CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6887 R514C8H15OHOOH=>R2OH+CH3CHO+C6H11OHZ 2.0E+0013 0.000 27700.0 ! DE 6888 R515C8H15OHOOH=>R1H+CH3CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6889 R538C7H14OOH=>R2OH+CH3CHO+C5H10Z 2.0E+0013 0.000 27700.0 ! DE 6890 R559C9H18OOH=>R2OH+CH3CHO+C7H14Z 2.0E+0013 0.000 27700.0 ! DE 6891 R564C9H18OOH=>R2OH+HCHO+C8H16Z-1 2.0E+0013 0.000 28700.0 ! DE 6892 CW R576C4H8OOH=>R2OH+HCHO+C3H6Y 2.0E+0013 0.000 28700.0 ! DE 6893 CW R607C9H18OOH=>R2OH+CH3CHO+C7H14Z 2.0E+0013 0.000 27700.0 ! DE 6894 R631C7H12OOHZ=>R2OH+CH3CHO+C5H8Z2 2.0E+0013 0.000 27700.0 ! DE 6895 R648C6H10OOHX=>R2OH+CH3CHO+C4H6Z2 6.5E+0012 0.000 34900.0 ! DE 6896 CN R657C5H8OOHV=>R2OH+CH3CHO+C3H4Z2 2.0E+0013 0.000 30000.0 ! DE 6897 CN R680C4H6OOHV=>R2OH+CH3CHO+C2H2T 2.0E+0013 0.000 31000.0 ! DE 6898 CN R818C4H7OHOOH=>R2OH+HCHO+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6899 CW R837C5H9OHOOH=>R2OH+HCHO+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6900 CW R852C6H11OHOOH=>R2OH+HCHO+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 6901 CW R861C4H7OHOOH=>CH3CHO+R3OOH+C2H4Z 2.0E+0013 0.000 27700.0 ! DE 6902 R871C8H15OHOOH=>R1H+CH3CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6903 R880C8H15OHOOH=>R2OH+HCHO+C7H13OHZ 2.0E+0013 0.000 28700.0 ! DE 6904 CW R882C8H15OHOOH=>R1H+CH3CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6905 R914C8H15OHOOH=>R1H+CH3CHO+C6H11OOHZ 2.0E+0013 0.000 27700.0 ! DE 6906 R919C4H7OHOOH=>R2OH+HCHO+C3H5OHY 2.0E+0013 0.000 28700.0 ! DE 6907 CW R930C5H9OHOOH=>R1H+CH3CHO+C3H5OOHZ 2.0E+0013 0.000 27700.0 ! DE 6908 R931C5H9OHOOH=>R2OH+HCHO+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6909 CW R936C5H10OH=>R1H+CH3CHO+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6910 R1012C9H18OOH=>R2OH+HCHO+C8H16Z 2.0E+0013 0.000 28700.0 ! DE 6911 CW R1051C5H10OOH=>R2OH+HCHO+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6912 CW R1063C6H12OOH=>R2OH+HCHO+C5H10Y 2.0E+0013 0.000 28700.0 ! DE 6913 CW R1127C6H11CHOOOH=>R2OH+HCHO+C5H9CHOZ 2.0E+0013 0.000 28700.0 ! DE 6914 CW R1144C6H11CHOOOH=>R2OH+CH3CHO+C4H7CHOZ 2.0E+0013 0.000 27700.0 ! DE 6915 R1198C6H11OHOOH=>R2OH+CH3CHO+C4H7OHZ 2.0E+0013 0.000 27700.0 ! DE 6916 R1252C5H9OHOOH=>R2OH+2HCHO+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6917 R1271C6H11OHOOH=>R2OH+2HCHO+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6918 R1284C6H11OHOOH=>R2OH+HCHO+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 6919 CW R1291C5H9OHOOH=>R2OH+CH3CHO+C3H5OHY 2.0E+0013 0.000 27700.0 ! DE 6920 R1307C6H11OHOOH=>R1H+CH3CHO+C4H7OOHZ 2.0E+0013 0.000 27700.0 ! DE 6921 R1307C6H11OHOOH=>R2OH+HCHO+C5H9OHZ 2.0E+0013 0.000 28700.0 ! DE 6922 CW R1314C6H12OH=>R1H+CH3CHO+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6923 R1319C6H11OHOOH=>R2OH+CH3CHO+C4H7OHZ 2.0E+0013 0.000 27700.0 ! DE 6924 R1351C4H7OHOOH=>R2OH+HCHO+C3H5OHZ 2.0E+0013 0.000 28700.0 ! DE 6925 CW R1363C5H9OHOOH=>R2OH+HCHO+C4H7OHZ 2.0E+0013 0.000 28700.0 ! DE 6926 CW R1364C5H9OHOOH=>CH3CHO+R3OOH+C3H6Y 2.0E+0013 0.000 27700.0 ! DE 6927 R1386C5H10OOH=>R2OH+HCHO+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6928 CW R1390C6H12OOH=>R2OH+HCHO+C5H10Z 2.0E+0013 0.000 28700.0 ! DE 6929 CW R1393C7H14OOH=>R2OH+HCHO+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 6930 CW R1395C7H14OOH=>R2OH+HCHO+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 6931 CW R1401C6H12OOH=>R2OH+CH3CHO+C4H8Y 2.0E+0013 0.000 27700.0 ! DE 6932 R1417C7H14OOH=>R2OH+HCHO+C6H12Z 2.0E+0013 0.000 28700.0 ! DE 6933 CW R1429C7H14OOH=>R2OH+CH3CHO+C5H10Y 2.0E+0013 0.000 27700.0 ! DE 6934 R1462C5H10OOH=>R2OH+HCHO+C4H8Y 2.0E+0013 0.000 28700.0 ! DE 6935 CW R1474C6H12OOH=>R2OH+HCHO+C5H10Y 2.0E+0013 0.000 28700.0 ! DE 6936 CW R1499C8H14OOHV=>R2OH+HCHO+C7H12Z2 2.0E+0013 0.000 31000.0 ! DE 6937 CN R1518C2H4COOOH=>R2OH+HCHO+CH2COZ 2.0E+0013 0.000 28700.0 ! DE 6938 CW R1525C3H5CHOOOH=>R2OH+HCHO+C2H3CHOZ 2.0E+0013 0.000 28700.0 ! DE 6939 CW R1530C4H7CHOOOH=>R2OH+HCHO+C3H5CHOZ 2.0E+0013 0.000 28700.0 ! DE 6940 CW R1540C3H6COOOH=>R2OH+CH3CHO+CH2COZ 2.0E+0013 0.000 27700.0 ! DE 6941 R1548C4H7CHOOOH=>R2OH+CH3CHO+C2H3CHOZ 2.0E+0013 0.000 27700.0 ! DE 6942 R1590C5H9OHOOH=>R2OH+CH3CHO+C3H5OHZ 2.0E+0013 0.000 27700.0 ! DE 6943 R37C8H16OH=>CH3CHO+R28C6H13 2.0E+0013 0.000 28700.0 ! DE 6944 CW R175C8H14OOHZ=>R2OH+R13CH2CHO+R22C6H11Z 2.0E+0013 0.000 28700.0 ! DE 6945 CW R180C8H16OOH=>R2OH+R13CH2CHO+R28C6H13 2.0E+0013 0.000 28700.0 ! DE 6946 CW R191C8H15OHOOH=>R2OH+HCHO+R5CHO+R28C6H13 2.0E+0013 0.000 28700.0 ! DE 6947 CW R197C8H16OH=>CH3CHO+R28C6H13 2.0E+0013 0.000 28700.0 ! DE 6948 CW R215C3H6OH=>CH3CHO+R4CH3 2.0E+0013 0.000 31000.0 ! DE 6949 CN R259C4H8OOH=>R2OH+R13CH2CHO+R11C2H5 2.0E+0013 0.000 28700.0 ! DE 6950 CW R265C7H12OOHZ=>R2OH+R13CH2CHO+R23C5H9Z 2.0E+0013 0.000 28700.0 ! DE 6951 CW R289C6H10OOHZ=>R2OH+R13CH2CHO+R24C4H7Z 2.0E+0013 0.000 28700.0 ! DE 6952 CW R302C5H8OOHZ=>R2OH+R13CH2CHO+R25C3H5Y 3.3E+0013 0.000 22500.0 ! DE 6953 CN R306C4H6OOHZ=>R2OH+R13CH2CHO+R10C2H3V 2.0E+0013 0.000 35500.0 ! DE 6954 CN R310C5H10OOH=>R2OH+R13CH2CHO+R19C3H7 2.0E+0013 0.000 28700.0 ! DE 6955 CW R312C5H10OOH=>R2OH+R13CH2CHO+R19C3H7 2.0E+0013 0.000 28700.0 ! DE 6956 CW R318C6H12OOH=>R2OH+R13CH2CHO+R20C4H9 2.0E+0013 0.000 28700.0 ! DE 6957 CW R324C4H6OOHZ=>R2OH+R13CH2CHO+R10C2H3V 2.0E+0013 0.000 35500.0 ! DE 6958 CN R342C6H12OOH=>R2OH+R13CH2CHO+R20C4H9 2.0E+0013 0.000 28700.0 ! DE 6959 CW R353C8H14OOHZ=>R2OH+R13CH2CHO+R22C6H11Z 2.0E+0013 0.000 28700.0 ! DE 6960 CW R367C5H8OOHZ=>R2OH+R13CH2CHO+R25C3H5Y 3.3E+0013 0.000 22500.0 ! DE 6961 CN R374C6H10OOHZ=>R2OH+R13CH2CHO+R24C4H7Z 2.0E+0013 0.000 28700.0 ! DE 6962 CW R384C3H6OOH=>R2OH+R13CH2CHO+R4CH3 2.0E+0013 0.000 31000.0 ! DE 6963 CN R388C4H8OOH=>R2OH+R13CH2CHO+R11C2H5 2.0E+0013 0.000 28700.0 ! DE 6964 CW R398C3H6OOH=>R2OH+R13CH2CHO+R4CH3 2.0E+0013 0.000 31000.0 ! DE 6965 CN R429C8H16OOH=>R2OH+R13CH2CHO+R28C6H13 2.0E+0013 0.000 28700.0 ! DE 6966 CW R438C3H5OHOOH=>R2OH+R13CH2CHO+R6CH2OH 2.0E+0013 0.000 28700.0 ! DE 6967 CW R447C8H15OHOOH=>CH3CHO+R338C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 6968 CW R458C4H8OH=>CH3CHO+R11C2H5 2.0E+0013 0.000 28700.0 ! DE 6969 CW R459C8H15OHOOH=>R2OH+R13CH2CHO+R206C6H12OH 2.0E+0013 0.000 28700.0 ! DE 6970 CW R467C5H10OH=>CH3CHO+R19C3H7 2.0E+0013 0.000 28700.0 ! DE 6971 CW R475C6H12OH=>CH3CHO+R20C4H9 2.0E+0013 0.000 28700.0 ! DE 6972 CW R482C8H15OHOOH=>R2OH+HCHO+R5CHO+R28C6H13 2.0E+0013 0.000 28700.0 ! DE 6973 CW R487C8H15OHOOH=>CH3CHO+R342C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 6974 CW R500C8H15OHOOH=>CH3CHO+R338C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 6975 CW R511C4H8OH=>CH3CHO+R11C2H5 2.0E+0013 0.000 28700.0 ! DE 6976 CW R512C8H15OHOOH=>R2OH+R13CH2CHO+R493C6H12OH 2.0E+0013 0.000 28700.0 ! DE 6977 CW R519C5H10OH=>CH3CHO+R19C3H7 2.0E+0013 0.000 28700.0 ! DE 6978 CW R525C7H14OOH=>R2OH+R13CH2CHO+R26C5H11 2.0E+0013 0.000 28700.0 ! DE 6979 CW R536C7H14OOH=>R2OH+R13CH2CHO+R26C5H11 2.0E+0013 0.000 28700.0 ! DE 6980 CW R557C9H18OOH=>R2OH+R13CH2CHO+R38C7H15 2.0E+0013 0.000 28700.0 ! DE 6981 CW R605C9H18OOH=>R2OH+R13CH2CHO+R585C7H15 2.0E+0013 0.000 28700.0 ! DE 6982 CW R629C7H12OOHZ=>R2OH+R13CH2CHO+R23C5H9Z 2.0E+0013 0.000 28700.0 ! DE 6983 CW R785C4H7OHOOH=>R2OH+HCHO+R5CHO+R11C2H5 2.0E+0013 0.000 28700.0 ! DE 6984 CW R788C5H9OHOOH=>R2OH+R13CH2CHO+R198C3H6OH 2.0E+0013 0.000 28700.0 ! DE 6985 CW R791C6H11OHOOH=>R2OH+R13CH2CHO+R201C4H8OH 2.0E+0013 0.000 28700.0 ! DE 6986 CW R803C8H15OHOOH=>CH3CHO+R341C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 6987 CW R805C6H11OHOOH=>R2OH+R13CH2CHO+R201C4H8OH 2.0E+0013 0.000 28700.0 ! DE 6988 CW R812C8H15OHOOH=>CH3CHO+R318C6H12OOH 2.0E+0013 0.000 27700.0 ! DE 6989 R819C4H7OHOOH=>CH3CHO+R16C2H4OOH 2.0E+0013 0.000 28700.0 ! DE 6990 CW R824C8H15OHOOH=>CH3CHO+R346C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 6991 CW R831C8H15OHOOH=>CH3CHO+R342C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 6992 CW R839C5H9OHOOH=>CH3CHO+R100C3H6OOH 2.0E+0013 0.000 28700.0 ! DE 6993 CW R846C8H15OHOOH=>CH3CHO+R333C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 6994 CW R849C8H15OHOOH=>R2OH+R13CH2CHO+R206C6H12OH 2.0E+0013 0.000 28700.0 ! DE 6995 CW R876C5H9OHOOH=>R2OH+R13CH2CHO+R215C3H6OH 2.0E+0013 0.000 28700.0 ! DE 6996 CW R886C6H12OH=>CH3CHO+R20C4H9 2.0E+0013 0.000 28700.0 ! DE 6997 CW R889C5H9OHOOH=>R2OH+R13CH2CHO+R215C3H6OH 2.0E+0013 0.000 28700.0 ! DE 6998 CW R892C6H11OHOOH=>R2OH+R13CH2CHO+R218C4H8OH 2.0E+0013 0.000 28700.0 ! DE 6999 CW R897C8H15OHOOH=>R2OH+CO2+R4CH3+R28C6H13 2.0E+0013 0.000 28700.0 ! DE 7000 CW R904C8H15OHOOH=>CH3CHO+R341C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 7001 CW R906C6H11OHOOH=>R2OH+R13CH2CHO+R218C4H8OH 2.0E+0013 0.000 28700.0 ! DE 7002 CW R913C8H15OHOOH=>CH3CHO+R318C6H12OOH 2.0E+0013 0.000 27700.0 ! DE 7003 R920C4H7OHOOH=>CH3CHO+R16C2H4OOH 2.0E+0013 0.000 28700.0 ! DE 7004 CW R925C8H15OHOOH=>CH3CHO+R346C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 7005 CW R933C5H9OHOOH=>CH3CHO+R100C3H6OOH 2.0E+0013 0.000 28700.0 ! DE 7006 CW R990C9H18OOH=>R2OH+R13CH2CHO+R38C7H15 2.0E+0013 0.000 28700.0 ! DE 7007 CW R1002C5H10OOH=>R2OH+R13CH2CHO+R245C3H7 2.0E+0013 0.000 27700.0 ! DE 7008 R1005C6H12OOH=>R2OH+R13CH2CHO+R248C4H9 2.0E+0013 0.000 28700.0 ! DE 7009 CW R1021C6H12OOH=>R2OH+R13CH2CHO+R248C4H9 2.0E+0013 0.000 28700.0 ! DE 7010 CW R1024C7H14OOH=>R2OH+R13CH2CHO+R251C5H11 2.0E+0013 0.000 28700.0 ! DE 7011 CW R1038C7H14OOH=>R2OH+R13CH2CHO+R251C5H11 2.0E+0013 0.000 28700.0 ! DE 7012 CW R1109C2H3CHOOOH=>R2OH+R13CH2CHO+R5CHO 2.0E+0013 0.000 27700.0 ! DE 7013 R1129C6H11CHOOOH=>R2OH+R13CH2CHO+R720C4H8CHO 2.0E+0013 0.000 28700.0 ! DE 7014 CW R1142C6H11CHOOOH=>R2OH+R13CH2CHO+R720C4H8CHO 2.0E+0013 0.000 28700.0 ! DE 7015 CW R1156C2H3CHOOOH=>R2OH+R13CH2CHO+R5CHO 2.0E+0013 0.000 27700.0 ! DE 7016 R1159C3H5CHOOOH=>R2OH+R13CH2CHO+R13CH2CHO 2.0E+0013 0.000 28700.0 ! DE 7017 CW R1165C3H5CHOOOH=>R2OH+R13CH2CHO+R13CH2CHO 2.0E+0013 0.000 28700.0 ! DE 7018 CW R1167C4H7CHOOOH=>R2OH+R13CH2CHO+R715C2H4CHO 2.0E+0013 0.000 28700.0 ! DE 7019 CW R1176C4H7CHOOOH=>R2OH+R13CH2CHO+R715C2H4CHO 2.0E+0013 0.000 28700.0 ! DE 7020 CW R1184C5H9OHOOH=>R2OH+HCHO+R5CHO+R19C3H7 2.0E+0013 0.000 28700.0 ! DE 7021 CW R1188C6H11OHOOH=>R2OH+HCHO+R5CHO+R20C4H9 2.0E+0013 0.000 28700.0 ! DE 7022 CW R1189C3H5OHOOH=>R2OH+HCHO+R5CHO+R4CH3 2.0E+0013 0.000 31000.0 ! DE 7023 CN R1200C6H11OHOOH=>CH3CHO+R401C4H8OOH 2.0E+0013 0.000 28700.0 ! DE 7024 CW R1207C8H15OHOOH=>R2OH+CO2+R4CH3+R28C6H13 2.0E+0013 0.000 28700.0 ! DE 7025 CW R1214C6H11OHOOH=>CH3CHO+R103C4H8OOH 2.0E+0013 0.000 28700.0 ! DE 7026 CW R1221C3H5OHOOH=>R2OH+R13CH2CHO+R6CH2OH 2.0E+0013 0.000 28700.0 ! DE 7027 CW R1244C5H9OHOOH=>R2OH+R13CH2CHO+R198C3H6OH 2.0E+0013 0.000 28700.0 ! DE 7028 CW R1267C6H11OHOOH=>CH3CHO+R259C4H8OOH 2.0E+0013 0.000 27700.0 ! DE 7029 R1279C4H7OHOOH=>R2OH+HCHO+R5CHO+R11C2H5 2.0E+0013 0.000 28700.0 ! DE 7030 CW R1282C5H9OHOOH=>R2OH+HCHO+R5CHO+R19C3H7 2.0E+0013 0.000 28700.0 ! DE 7031 CW R1286C6H11OHOOH=>R2OH+HCHO+R5CHO+R20C4H9 2.0E+0013 0.000 28700.0 ! DE 7032 CW R1292C5H9OHOOH=>CH3CHO+R398C3H6OOH 2.0E+0013 0.000 28700.0 ! DE 7033 CW R1297C6H11OHOOH=>CH3CHO+R388C4H8OOH 2.0E+0013 0.000 28700.0 ! DE 7034 CW R1301C8H15OHOOH=>CH3CHO+R333C6H12OOH 2.0E+0013 0.000 28700.0 ! DE 7035 CW R1304C8H15OHOOH=>R2OH+R13CH2CHO+R493C6H12OH 2.0E+0013 0.000 28700.0 ! DE 7036 CW R1321C6H11OHOOH=>CH3CHO+R401C4H8OOH 2.0E+0013 0.000 28700.0 ! DE 7037 CW R1328C3H5OHOOH=>R2OH+CO2+R4CH3+R4CH3 2.0E+0013 0.000 31000.0 ! DE 7038 CN R1334C6H11OHOOH=>CH3CHO+R103C4H8OOH 2.0E+0013 0.000 28700.0 ! DE 7039 CW R1341C3H5OHOOH=>R2OH+HCHO+R5CHO+R4CH3 2.0E+0013 0.000 31000.0 ! DE 7040 CN R1359C5H9OHOOH=>R2OH+CO2+R4CH3+R19C3H7 2.0E+0013 0.000 28700.0 ! DE 7041 CW R1414C9H18OOH=>R2OH+R13CH2CHO+R585C7H15 2.0E+0013 0.000 28700.0 ! DE 7042 CW R1453C5H10OOH=>R2OH+R13CH2CHO+R245C3H7 2.0E+0013 0.000 27700.0 ! DE 7043 R1582C5H9OHOOH=>CH3CHO+R384C3H6OOH 2.0E+0013 0.000 27700.0 ! DE 7044 R1587C4H7OHOOH=>R2OH+CO2+R4CH3+R11C2H5 2.0E+0013 0.000 28700.0 ! DE 7045 CW R1591C5H9OHOOH=>CH3CHO+R398C3H6OOH 2.0E+0013 0.000 28700.0 ! DE 7046 CW R1595C6H11OHOOH=>CH3CHO+R388C4H8OOH 2.0E+0013 0.000 28700.0 ! DE 7047 CW R1601C5H9OHOOH=>R2OH+CO2+R4CH3+R19C3H7 2.0E+0013 0.000 28700.0 ! DE 7048 CW R484C3H5OHOOH=>R2OH+HCHO+CH3CHO 2.0E+0013 0.000 28700.0 ! DE 7049 CW R801C3H5OHOOH=>R2OH+HCHO+CH3CHO 2.0E+0013 0.000 28700.0 ! DE 7050 CW R874C4H7OHOOH=>R1H+CH3CHO+R2OH+R13CH2CHO 2.0E+0013 0.000 27700.0 ! DE 7051 R1344C4H7OHOOH=>R1H+CH3CHO+R2OH+R13CH2CHO 2.0E+0013 0.000 27700.0 ! DE 7052 R1578C4H7OHOOH=>R2OH+CH3CHO+CH3CHO 2.0E+0013 0.000 27700.0 ! DE 7053 R1671C4H7OHOOH=>R2OH+C4H7OOHZ 2.0E+0013 0.000 26000.0 ! DE 2627 CN R1671C4H7OHOOH=>R2OH+CH3CHO+CH3CHO 2.0E+0013 0.000 27700.0 ! DE 2767 R1671C4H7OHOOH=>R2OH+C4H7O#4OH 9.2E+0010 0.000 16600.0 ! OR 3008 CR R1828C4H7OHOOH=>R4CH3+C3H4OHOOHZ 2.0E+0013 0.000 31000.0 ! DE 2647 CN R1828C4H7OHOOH=>R3OOH+C4H7OHY 8.5E+0012 0.000 26000.0 ! DE 2648 CR R1828C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 3017 CR ! decomposition of R(.)CO free radicals R154C6H13CO=>R28C6H13+B2CO 2.8E+0013 0.000 17150.0 ! DE 7054 CN R317C6H12COOOH=>R318C6H12OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7055 CN R362C6H12COOOH=>R342C6H12OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7056 CN R378C6H12COOOH=>R338C6H12OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7057 CN R390C6H12COOOH=>R341C6H12OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7058 CN R706C6H12COOOH=>R333C6H12OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7059 CN R749C6H12COOOH=>R346C6H12OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7060 CN R1148C3H7CO=>R19C3H7+B2CO 2.8E+0013 0.000 17150.0 ! DE 7061 CN R1152C4H9CO=>R20C4H9+B2CO 2.8E+0013 0.000 17150.0 ! DE 7062 CN R1490C3H6COOOH=>R384C3H6OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7063 CN R1494C4H8COOOH=>R259C4H8OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7064 CN R1518C2H4COOOH=>R16C2H4OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7065 CN R1526C3H6COOOH=>R100C3H6OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7066 CN R1532C4H8COOOH=>R103C4H8OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7067 CN R1540C3H6COOOH=>R398C3H6OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7068 CN R1544C4H8COOOH=>R388C4H8OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7069 CN R1549C4H8COOOH=>R401C4H8OOH+B2CO 2.8E+0013 0.000 17150.0 ! DE 7070 CN ! decomposition to o-rings : R99C3H6OOH=>R2OH+C3H6O#3 6.1E+0011 0.000 17950.0 ! OR 7071 CR R100C3H6OOH=>R2OH+C3H6O#4 9.2E+0010 0.000 16600.0 ! OR 7072 CR R101C4H8OOH=>R2OH+C4H8O#3 6.1E+0011 0.000 17950.0 ! OR 7073 CR R102C4H8OOH=>R2OH+C4H8O#4 9.2E+0010 0.000 16600.0 ! OR 7074 CR R103C4H8OOH=>R2OH+C4H8O#5 3.6E+0009 0.000 7000.0 ! OR 7075 CR R104C7H12OOHZ=>R2OH+C7H12O#3Z 6.1E+0011 0.000 17950.0 ! OR 7076 CR R105C7H12OOHZ=>R2OH+C7H12O#4Z 9.2E+0010 0.000 16600.0 ! OR 7077 CR R106C7H12OOHZ=>R2OH+C7H12O#5Z 3.6E+0009 0.000 7000.0 ! OR 7078 CR R107C7H12OOHX=>R2OH+C7H12O#6Z 8.5E+0007 0.000 1950.0 ! OR 7079 CR R113C6H10OOHZ=>R2OH+C6H10O#3Z 6.1E+0011 0.000 17950.0 ! OR 7080 CR R114C6H10OOHZ=>R2OH+C6H10O#4Z 9.2E+0010 0.000 16600.0 ! OR 7081 CR R115C6H10OOHX=>R2OH+C6H10O#5Z 1.8E+0009 0.000 7000.0 ! OR 7082 CR R116C6H10OOHV=>R2OH+C6H10OZ#6 1.5E+0008 0.000 3200.0 ! OR 7083 CR R121C5H8OOHZ=>R2OH+C5H8O#3Z 6.1E+0011 0.000 17950.0 ! OR 7084 CR R122C5H8OOHX=>R2OH+C5H8O#4Z 4.6E+0010 0.000 16600.0 ! OR 7085 CR R122C5H8OOHX=>R2OH+C5H8OZ#6 4.3E+0008 0.000 3200.0 ! OR 7086 CR R123C5H8OOHV=>R2OH+C5H8OZ#5 2.1E+0009 0.000 6100.0 ! OR 7087 CR R124C5H8OOHV=>R2OH+C5H8OZ#6 8.6E+0008 0.000 3200.0 ! OR 7088 CR R126C4H6OOHX=>R2OH+C4H6O#3Z 3.1E+0011 0.000 17950.0 ! OR 7089 CR R126C4H6OOHX=>R2OH+C4H6OZ#5 6.0E+0009 0.000 6100.0 ! OR 7090 CR R127C4H6OOHV=>R2OH+C4H6OZ#4 2.5E+0010 0.000 18850.0 ! OR 7091 CR R128C4H6OOHV=>R2OH+C4H6OZ#5 1.2E+0010 0.000 6100.0 ! OR 7092 CR R130C3H4OOHV=>R2OH+C3H4OZ#4 1.4E+0011 0.000 18850.0 ! OR 7093 CR R131C5H10OOH=>R2OH+C5H10O#3 6.1E+0011 0.000 17950.0 ! OR 7094 CR R132C5H10OOH=>R2OH+C5H10O#4 9.2E+0010 0.000 16600.0 ! OR 7095 CR R133C5H10OOH=>R2OH+C5H10O#5 3.6E+0009 0.000 7000.0 ! OR 7096 CR R134C5H10OOH=>R2OH+C5H10O#6 1.7E+0008 0.000 1950.0 ! OR 7097 CR R136C8H14OOHV=>R2OH+C8H14OZ#3 6.1E+0011 0.000 17950.0 ! OR 7098 CR R137C8H14OOHV=>R2OH+C8H14OZ#4 1.4E+0011 0.000 18850.0 ! OR 7099 CR R138C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7100 CR R139C8H14OOHZ=>R2OH+C8H14O#4Z 9.2E+0010 0.000 16600.0 ! OR 7101 CR R140C8H14OOHZ=>R2OH+C8H14O#5Z 3.6E+0009 0.000 7000.0 ! OR 7102 CR R141C8H14OOHZ=>R2OH+C8H14O#6Z 1.7E+0008 0.000 1950.0 ! OR 7103 CR R143C8H14OOHV=>R2OH+C8H14OZ#4 1.4E+0011 0.000 18850.0 ! OR 7104 CR R144C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7105 CR R145C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7106 CR R146C6H12OOH=>R2OH+C6H12O#5 3.6E+0009 0.000 7000.0 ! OR 7107 CR R147C6H12OOH=>R2OH+C6H12O#6 1.7E+0008 0.000 1950.0 ! OR 7108 CR R150C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7109 CR R151C8H14OOHZ=>R2OH+C8H14O#4Z 9.2E+0010 0.000 16600.0 ! OR 7110 CR R152C8H14OOHZ=>R2OH+C8H14O#5Z 3.6E+0009 0.000 7000.0 ! OR 7111 CR R153C8H14OOHZ=>R2OH+C8H14O#6Z 1.7E+0008 0.000 1950.0 ! OR 7112 CR R155C8H14OOHX=>R2OH+C8H14O#3Z 3.1E+0011 0.000 17950.0 ! OR 7113 CR R155C8H14OOHX=>R2OH+C8H14OZ#5 6.0E+0009 0.000 6100.0 ! OR 7114 CR R156C8H14OOHV=>R2OH+C8H14OZ#4 9.2E+0010 0.000 16600.0 ! OR 7115 CR R157C8H14OOHV=>R2OH+C8H14OZ#5 1.2E+0010 0.000 6100.0 ! OR 7116 CR R158C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7117 CR R159C8H14OOHZ=>R2OH+C8H14O#4Z 9.2E+0010 0.000 16600.0 ! OR 7118 CR R160C8H14OOHZ=>R2OH+C8H14O#5Z 3.6E+0009 0.000 7000.0 ! OR 7119 CR R161C8H14OOHZ=>R2OH+C8H14O#6Z 1.7E+0008 0.000 1950.0 ! OR 7120 CR R162C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7121 CR R163C8H14OOHZ=>R2OH+C8H14O#4Z 9.2E+0010 0.000 16600.0 ! OR 7122 CR R164C8H14OOHZ=>R2OH+C8H14O#5Z 3.6E+0009 0.000 7000.0 ! OR 7123 CR R165C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7124 CR R166C8H14OOHX=>R2OH+C8H14O#4Z 4.6E+0010 0.000 16600.0 ! OR 7125 CR R166C8H14OOHX=>R2OH+C8H14OZ#6 4.3E+0008 0.000 3200.0 ! OR 7126 CR R167C8H14OOHV=>R2OH+C8H14OZ#5 3.6E+0009 0.000 7000.0 ! OR 7127 CR R168C8H14OOHV=>R2OH+C8H14OZ#6 8.6E+0008 0.000 3200.0 ! OR 7128 CR R169C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7129 CR R170C8H14OOHZ=>R2OH+C8H14O#4Z 9.2E+0010 0.000 16600.0 ! OR 7130 CR R171C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7131 CR R172C8H14OOHZ=>R2OH+C8H14O#4Z 9.2E+0010 0.000 16600.0 ! OR 7132 CR R173C8H14OOHX=>R2OH+C8H14O#5Z 1.8E+0009 0.000 7000.0 ! OR 7133 CR R174C8H14OOHV=>R2OH+C8H14OZ#6 1.7E+0008 0.000 1950.0 ! OR 7134 CR R175C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7135 CR R176C8H14OOHZ=>R2OH+C8H14O#3Z 6.1E+0011 0.000 17950.0 ! OR 7136 CR R177C8H14OOHZ=>R2OH+C8H14O#4Z 9.2E+0010 0.000 16600.0 ! OR 7137 CR R178C8H14OOHZ=>R2OH+C8H14O#5Z 3.6E+0009 0.000 7000.0 ! OR 7138 CR R179C8H14OOHX=>R2OH+C8H14O#6Z 8.5E+0007 0.000 1950.0 ! OR 7139 CR R180C8H16OOH=>R2OH+C8H16O#3 6.1E+0011 0.000 17950.0 ! OR 7140 CR R181C8H16OOH=>R2OH+C8H16O#3 6.1E+0011 0.000 17950.0 ! OR 7141 CR R182C8H16OOH=>R2OH+C8H16O#4 9.2E+0010 0.000 16600.0 ! OR 7142 CR R183C8H16OOH=>R2OH+C8H16O#5 3.6E+0009 0.000 7000.0 ! OR 7143 CR R184C8H16OOH=>R2OH+C8H16O#6 1.7E+0008 0.000 1950.0 ! OR 7144 CR R187C8H16OOH=>R2OH+C8H16O#3 6.1E+0011 0.000 17950.0 ! OR 7145 CR R188C8H16OOH=>R2OH+C8H16O#4 9.2E+0010 0.000 16600.0 ! OR 7146 CR R189C8H16OOH=>R2OH+C8H16O#5 3.6E+0009 0.000 7000.0 ! OR 7147 CR R190C8H16OOH=>R2OH+C8H16O#6 1.7E+0008 0.000 1950.0 ! OR 7148 CR R191C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7149 CR R192C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7150 CR R193C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7151 CR R194C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7152 CR R195C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7153 CR R207C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7154 CR R208C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7155 CR R209C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7156 CR R210C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7157 CR R221C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7158 CR R222C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7159 CR R223C7H14OOH=>R2OH+C7H14O#5 3.6E+0009 0.000 7000.0 ! OR 7160 CR R224C7H14OOH=>R2OH+C7H14O#6 1.7E+0008 0.000 1950.0 ! OR 7161 CR R228C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7162 CR R229C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7163 CR R230C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7164 CR R231C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7165 CR R232C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7166 CR R233C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7167 CR R238C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7168 CR R239C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7169 CR R240C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7170 CR R241C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7171 CR R242C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7172 CR R268C7H12OOHX=>R2OH+C7H12O#3Z 3.1E+0011 0.000 17950.0 ! OR 7173 CR R268C7H12OOHX=>R2OH+C7H12OZ#5 6.0E+0009 0.000 6100.0 ! OR 7174 CR R269C7H12OOHV=>R2OH+C7H12OZ#4 9.2E+0010 0.000 16600.0 ! OR 7175 CR R270C7H12OOHV=>R2OH+C7H12OZ#5 1.2E+0010 0.000 6100.0 ! OR 7176 CR R271C7H12OOHZ=>R2OH+C7H12O#3Z 6.1E+0011 0.000 17950.0 ! OR 7177 CR R272C7H12OOHZ=>R2OH+C7H12O#4Z 9.2E+0010 0.000 16600.0 ! OR 7178 CR R273C7H12OOHZ=>R2OH+C7H12O#5Z 3.6E+0009 0.000 7000.0 ! OR 7179 CR R274C7H12OOHV=>R2OH+C7H12OZ#3 6.1E+0011 0.000 17950.0 ! OR 7180 CR R275C7H12OOHV=>R2OH+C7H12OZ#4 1.4E+0011 0.000 18850.0 ! OR 7181 CR R276C7H12OOHZ=>R2OH+C7H12O#3Z 6.1E+0011 0.000 17950.0 ! OR 7182 CR R277C7H12OOHZ=>R2OH+C7H12O#4Z 9.2E+0010 0.000 16600.0 ! OR 7183 CR R278C7H12OOHZ=>R2OH+C7H12O#5Z 3.6E+0009 0.000 7000.0 ! OR 7184 CR R279C7H12OOHZ=>R2OH+C7H12O#6Z 1.7E+0008 0.000 1950.0 ! OR 7185 CR R281C7H12OOHV=>R2OH+C7H12OZ#4 1.4E+0011 0.000 18850.0 ! OR 7186 CR R290C6H10OOHV=>R2OH+C6H10OZ#3 6.1E+0011 0.000 17950.0 ! OR 7187 CR R291C6H10OOHV=>R2OH+C6H10OZ#4 1.4E+0011 0.000 18850.0 ! OR 7188 CR R292C6H10OOHZ=>R2OH+C6H10O#3Z 6.1E+0011 0.000 17950.0 ! OR 7189 CR R293C6H10OOHZ=>R2OH+C6H10O#4Z 9.2E+0010 0.000 16600.0 ! OR 7190 CR R294C6H10OOHZ=>R2OH+C6H10O#5Z 3.6E+0009 0.000 7000.0 ! OR 7191 CR R296C6H10OOHV=>R2OH+C6H10OZ#4 1.4E+0011 0.000 18850.0 ! OR 7192 CR R312C5H10OOH=>R2OH+C5H10O#3 6.1E+0011 0.000 17950.0 ! OR 7193 CR R313C5H10OOH=>R2OH+C5H10O#3 6.1E+0011 0.000 17950.0 ! OR 7194 CR R314C5H10OOH=>R2OH+C5H10O#4 9.2E+0010 0.000 16600.0 ! OR 7195 CR R315C5H10OOH=>R2OH+C5H10O#5 3.6E+0009 0.000 7000.0 ! OR 7196 CR R317C6H12COOOH=>R2OH+C6H12O#3CO 6.1E+0011 0.000 17950.0 ! OR 7197 CR R321C3H4OOHX=>R2OH+C3H4OZ#4 7.0E+0010 0.000 18850.0 ! OR 7198 CR R323C8H14OOHX=>R2OH+C8H14OZ#4 7.0E+0010 0.000 18850.0 ! OR 7199 CR R324C4H6OOHZ=>R2OH+C4H6O#3Z 6.1E+0011 0.000 17950.0 ! OR 7200 CR R326C5H8OOHZ=>R2OH+C5H8O#4Z 9.2E+0010 0.000 16600.0 ! OR 7201 CR R327C8H14OOHZ=>R2OH+C8H14OZ#6 8.6E+0008 0.000 3200.0 ! OR 7202 CR R337C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7203 CR R338C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7204 CR R339C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7205 CR R340C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7206 CR R341C6H12OOH=>R2OH+C6H12O#5 3.6E+0009 0.000 7000.0 ! OR 7207 CR R342C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7208 CR R343C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7209 CR R344C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7210 CR R345C6H12OOH=>R2OH+C6H12O#5 3.6E+0009 0.000 7000.0 ! OR 7211 CR R346C6H12OOH=>R2OH+C6H12O#6 1.7E+0008 0.000 1950.0 ! OR 7212 CR R362C6H12COOOH=>R2OH+C6H12O#4CO 9.2E+0010 0.000 16600.0 ! OR 7213 CR R367C5H8OOHZ=>R2OH+C5H8O#3Z 6.1E+0011 0.000 17950.0 ! OR 7214 CR R369C6H10OOHZ=>R2OH+C6H10O#4Z 9.2E+0010 0.000 16600.0 ! OR 7215 CR R374C6H10OOHZ=>R2OH+C6H10O#3Z 6.1E+0011 0.000 17950.0 ! OR 7216 CR R378C6H12COOOH=>R2OH+C6H12O#5CO 3.6E+0009 0.000 7000.0 ! OR 7217 CR R388C4H8OOH=>R2OH+C4H8O#3 6.1E+0011 0.000 17950.0 ! OR 7218 CR R389C5H10OOH=>R2OH+C5H10O#4 9.2E+0010 0.000 16600.0 ! OR 7219 CR R390C6H12COOOH=>R2OH+C6H12O#6CO 1.7E+0008 0.000 1950.0 ! OR 7220 CR R398C3H6OOH=>R2OH+C3H6O#3 6.1E+0011 0.000 17950.0 ! OR 7221 CR R401C4H8OOH=>R2OH+C4H8O#4 9.2E+0010 0.000 16600.0 ! OR 7222 CR R410C8H16OOH=>R2OH+C8H16O#3 6.1E+0011 0.000 17950.0 ! OR 7223 CR R411C8H16OOH=>R2OH+C8H16O#4 9.2E+0010 0.000 16600.0 ! OR 7224 CR R412C8H16OOH=>R2OH+C8H16O#5 3.6E+0009 0.000 7000.0 ! OR 7225 CR R413C8H16OOH=>R2OH+C8H16O#3 6.1E+0011 0.000 17950.0 ! OR 7226 CR R414C8H16OOH=>R2OH+C8H16O#4 9.2E+0010 0.000 16600.0 ! OR 7227 CR R415C8H16OOH=>R2OH+C8H16O#5 3.6E+0009 0.000 7000.0 ! OR 7228 CR R416C8H16OOH=>R2OH+C8H16O#6 1.7E+0008 0.000 1950.0 ! OR 7229 CR R417C8H16OOH=>R2OH+C8H16O#3 6.1E+0011 0.000 17950.0 ! OR 7230 CR R418C8H16OOH=>R2OH+C8H16O#4 9.2E+0010 0.000 16600.0 ! OR 7231 CR R419C8H16OOH=>R2OH+C8H16O#3 6.1E+0011 0.000 17950.0 ! OR 7232 CR R420C8H16OOH=>R2OH+C8H16O#4 9.2E+0010 0.000 16600.0 ! OR 7233 CR R421C8H16OOH=>R2OH+C8H16O#5 3.6E+0009 0.000 7000.0 ! OR 7234 CR R422C8H16OOH=>R2OH+C8H16O#6 1.7E+0008 0.000 1950.0 ! OR 7235 CR R438C3H5OHOOH=>R2OH+C3H5O#3OH 6.1E+0011 0.000 17950.0 ! OR 7236 CR R440C4H7OHOOH=>R2OH+C4H7O#4OH 9.2E+0010 0.000 16600.0 ! OR 7237 CR R441C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7238 CR R442C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7239 CR R443C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7240 CR R444C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7241 CR R445C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7242 CR R446C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7243 CR R447C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7244 CR R450C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7245 CR R451C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7246 CR R452C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7247 CR R453C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7248 CR R454C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7249 CR R455C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7250 CR R459C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7251 CR R460C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7252 CR R461C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7253 CR R462C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7254 CR R463C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7255 CR R468C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7256 CR R469C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7257 CR R470C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7258 CR R471C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7259 CR R484C3H5OHOOH=>R2OH+C3H5O#4OH 9.2E+0010 0.000 16600.0 ! OR 7260 CR R485C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7261 CR R486C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7262 CR R487C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7263 CR R488C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7264 CR R489C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7265 CR R490C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7266 CR R491C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7267 CR R494C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7268 CR R495C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7269 CR R496C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7270 CR R497C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7271 CR R498C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7272 CR R499C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7273 CR R500C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7274 CR R503C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7275 CR R504C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7276 CR R505C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7277 CR R506C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7278 CR R507C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7279 CR R508C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7280 CR R512C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7281 CR R513C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7282 CR R514C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7283 CR R515C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7284 CR R516C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7285 CR R527C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7286 CR R528C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7287 CR R529C7H14OOH=>R2OH+C7H14O#5 3.6E+0009 0.000 7000.0 ! OR 7288 CR R530C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7289 CR R531C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7290 CR R532C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7291 CR R533C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7292 CR R534C7H14OOH=>R2OH+C7H14O#5 3.6E+0009 0.000 7000.0 ! OR 7293 CR R535C7H14OOH=>R2OH+C7H14O#6 1.7E+0008 0.000 1950.0 ! OR 7294 CR R536C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7295 CR R537C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7296 CR R538C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7297 CR R539C7H14OOH=>R2OH+C7H14O#5 3.6E+0009 0.000 7000.0 ! OR 7298 CR R540C7H14OOH=>R2OH+C7H14O#6 1.7E+0008 0.000 1950.0 ! OR 7299 CR R550C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7300 CR R551C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7301 CR R552C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7302 CR R553C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7303 CR R554C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7304 CR R555C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7305 CR R556C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7306 CR R557C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7307 CR R558C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7308 CR R559C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7309 CR R560C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7310 CR R561C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7311 CR R563C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7312 CR R564C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7313 CR R565C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7314 CR R566C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7315 CR R576C4H8OOH=>R2OH+C4H8O#4 9.2E+0010 0.000 16600.0 ! OR 7316 CR R577C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7317 CR R578C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7318 CR R579C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7319 CR R580C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7320 CR R581C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7321 CR R582C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7322 CR R583C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7323 CR R587C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7324 CR R588C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7325 CR R589C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7326 CR R590C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7327 CR R591C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7328 CR R592C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7329 CR R593C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7330 CR R596C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7331 CR R597C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7332 CR R598C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7333 CR R599C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7334 CR R600C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7335 CR R601C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7336 CR R605C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7337 CR R606C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7338 CR R607C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7339 CR R608C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7340 CR R609C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7341 CR R624C7H12OOHX=>R2OH+C7H12OZ#4 7.0E+0010 0.000 18850.0 ! OR 7342 CR R626C7H12OOHZ=>R2OH+C7H12OZ#6 8.6E+0008 0.000 3200.0 ! OR 7343 CR R629C7H12OOHZ=>R2OH+C7H12O#3Z 6.1E+0011 0.000 17950.0 ! OR 7344 CR R630C7H12OOHZ=>R2OH+C7H12O#3Z 6.1E+0011 0.000 17950.0 ! OR 7345 CR R631C7H12OOHZ=>R2OH+C7H12O#4Z 9.2E+0010 0.000 16600.0 ! OR 7346 CR R632C7H12OOHX=>R2OH+C7H12O#5Z 1.8E+0009 0.000 7000.0 ! OR 7347 CR R633C7H12OOHV=>R2OH+C7H12OZ#6 1.7E+0008 0.000 1950.0 ! OR 7348 CR R634C7H12OOHZ=>R2OH+C7H12O#3Z 6.1E+0011 0.000 17950.0 ! OR 7349 CR R635C7H12OOHZ=>R2OH+C7H12O#4Z 9.2E+0010 0.000 16600.0 ! OR 7350 CR R636C7H12OOHZ=>R2OH+C7H12O#3Z 6.1E+0011 0.000 17950.0 ! OR 7351 CR R637C7H12OOHX=>R2OH+C7H12O#4Z 4.6E+0010 0.000 16600.0 ! OR 7352 CR R637C7H12OOHX=>R2OH+C7H12OZ#6 4.3E+0008 0.000 3200.0 ! OR 7353 CR R638C7H12OOHV=>R2OH+C7H12OZ#5 3.6E+0009 0.000 7000.0 ! OR 7354 CR R639C7H12OOHV=>R2OH+C7H12OZ#6 8.6E+0008 0.000 3200.0 ! OR 7355 CR R644C6H10OOHX=>R2OH+C6H10OZ#4 7.0E+0010 0.000 18850.0 ! OR 7356 CR R645C6H10OOHZ=>R2OH+C6H10OZ#6 8.6E+0008 0.000 3200.0 ! OR 7357 CR R647C6H10OOHZ=>R2OH+C6H10O#3Z 6.1E+0011 0.000 17950.0 ! OR 7358 CR R648C6H10OOHX=>R2OH+C6H10O#4Z 4.6E+0010 0.000 16600.0 ! OR 7359 CR R648C6H10OOHX=>R2OH+C6H10OZ#6 4.3E+0008 0.000 3200.0 ! OR 7360 CR R649C6H10OOHV=>R2OH+C6H10OZ#5 3.6E+0009 0.000 7000.0 ! OR 7361 CR R650C6H10OOHV=>R2OH+C6H10OZ#6 8.6E+0008 0.000 3200.0 ! OR 7362 CR R651C6H10OOHZ=>R2OH+C6H10O#3Z 6.1E+0011 0.000 17950.0 ! OR 7363 CR R652C6H10OOHX=>R2OH+C6H10O#3Z 3.1E+0011 0.000 17950.0 ! OR 7364 CR R652C6H10OOHX=>R2OH+C6H10OZ#5 6.0E+0009 0.000 6100.0 ! OR 7365 CR R653C6H10OOHV=>R2OH+C6H10OZ#4 9.2E+0010 0.000 16600.0 ! OR 7366 CR R654C6H10OOHV=>R2OH+C6H10OZ#5 1.2E+0010 0.000 6100.0 ! OR 7367 CR R656C5H8OOHX=>R2OH+C5H8O#3Z 3.1E+0011 0.000 17950.0 ! OR 7368 CR R656C5H8OOHX=>R2OH+C5H8OZ#5 6.0E+0009 0.000 6100.0 ! OR 7369 CR R657C5H8OOHV=>R2OH+C5H8OZ#4 9.2E+0010 0.000 16600.0 ! OR 7370 CR R658C5H8OOHV=>R2OH+C5H8OZ#5 1.2E+0010 0.000 6100.0 ! OR 7371 CR R669C6H11CHOOOH=>R2OH+C6H11O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7372 CR R670C6H11CHOOOH=>R2OH+C6H11O#5CHO 3.6E+0009 0.000 7000.0 ! OR 7373 CR R671C6H11CHOOOH=>R2OH+C6H11O#6CHO 1.7E+0008 0.000 1950.0 ! OR 7374 CR R680C4H6OOHV=>R2OH+C4H6OZ#4 1.4E+0011 0.000 18850.0 ! OR 7375 CR R683C5H8OOHV=>R2OH+C5H8OZ#3 6.1E+0011 0.000 17950.0 ! OR 7376 CR R684C5H8OOHV=>R2OH+C5H8OZ#4 1.4E+0011 0.000 18850.0 ! OR 7377 CR R688C8H14OOHX=>R2OH+C8H14OZ#5 6.0E+0009 0.000 6100.0 ! OR 7378 CR R688C8H14OOHX=>R2OH+C8H14O#3Z 3.1E+0011 0.000 17950.0 ! OR 7379 CR R689C5H8OOHZ=>R2OH+C5H8OZ#6 8.6E+0008 0.000 3200.0 ! OR 7380 CR R708C6H12COOOH=>R2OH+C6H12O#3CO 6.1E+0011 0.000 17950.0 ! OR 7381 CR R709C6H12COOOH=>R2OH+C6H12O#4CO 9.2E+0010 0.000 16600.0 ! OR 7382 CR R710C6H12COOOH=>R2OH+C6H12O#5CO 3.6E+0009 0.000 7000.0 ! OR 7383 CR R711C6H12COOOH=>R2OH+C6H12O#6CO 1.7E+0008 0.000 1950.0 ! OR 7384 CR R723C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7385 CR R724C6H11CHOOOH=>R2OH+C6H11O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7386 CR R725C6H11CHOOOH=>R2OH+C6H11O#5CHO 3.6E+0009 0.000 7000.0 ! OR 7387 CR R726C6H11CHOOOH=>R2OH+C6H11O#6CHO 1.7E+0008 0.000 1950.0 ! OR 7388 CR R734C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7389 CR R735C6H11CHOOOH=>R2OH+C6H11O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7390 CR R736C6H11CHOOOH=>R2OH+C6H11O#5CHO 3.6E+0009 0.000 7000.0 ! OR 7391 CR R743C5H10OOH=>R2OH+C5H10O#3 6.1E+0011 0.000 17950.0 ! OR 7392 CR R745C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7393 CR R747C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7394 CR R748C6H11CHOOOH=>R2OH+C6H11O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7395 CR R777C5H9OHOOH=>R2OH+C5H9O#5OH 3.6E+0009 0.000 7000.0 ! OR 7396 CR R779C6H11OHOOH=>R2OH+C6H11O#6OH 1.7E+0008 0.000 1950.0 ! OR 7397 CR R785C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 7398 CR R791C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7399 CR R796C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7400 CR R797C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7401 CR R798C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7402 CR R799C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7403 CR R800C3H5OHOOH=>R2OH+C3H5O#3OH 6.1E+0011 0.000 17950.0 ! OR 7404 CR R801C3H5OHOOH=>R2OH+C3H5O#4OH 9.2E+0010 0.000 16600.0 ! OR 7405 CR R811C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7406 CR R812C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7407 CR R813C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7408 CR R814C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7409 CR R815C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7410 CR R816C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7411 CR R817C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 7412 CR R818C4H7OHOOH=>R2OH+C4H7O#4OH 9.2E+0010 0.000 16600.0 ! OR 7413 CR R819C4H7OHOOH=>R2OH+C4H7O#5OH 3.6E+0009 0.000 7000.0 ! OR 7414 CR R829C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7415 CR R830C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7416 CR R831C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7417 CR R832C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7418 CR R833C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7419 CR R834C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7420 CR R835C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7421 CR R836C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7422 CR R837C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7423 CR R838C5H9OHOOH=>R2OH+C5H9O#5OH 3.6E+0009 0.000 7000.0 ! OR 7424 CR R839C5H9OHOOH=>R2OH+C5H9O#6OH 1.7E+0008 0.000 1950.0 ! OR 7425 CR R851C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7426 CR R852C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7427 CR R853C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7428 CR R854C6H11OHOOH=>R2OH+C6H11O#6OH 1.7E+0008 0.000 1950.0 ! OR 7429 CR R861C4H7OHOOH=>R2OH+C4H7O#5OH 3.6E+0009 0.000 7000.0 ! OR 7430 CR R863C5H9OHOOH=>R2OH+C5H9O#6OH 1.7E+0008 0.000 1950.0 ! OR 7431 CR R876C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7432 CR R878C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7433 CR R879C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7434 CR R880C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7435 CR R881C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7436 CR R882C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7437 CR R892C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7438 CR R897C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7439 CR R898C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7440 CR R899C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7441 CR R900C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7442 CR R901C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7443 CR R902C3H5OHOOH=>R2OH+C3H5O#3OH 6.1E+0011 0.000 17950.0 ! OR 7444 CR R912C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7445 CR R913C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7446 CR R914C8H15OHOOH=>R2OH+C8H15O#3OH 6.1E+0011 0.000 17950.0 ! OR 7447 CR R915C8H15OHOOH=>R2OH+C8H15O#4OH 9.2E+0010 0.000 16600.0 ! OR 7448 CR R916C8H15OHOOH=>R2OH+C8H15O#5OH 3.6E+0009 0.000 7000.0 ! OR 7449 CR R917C8H15OHOOH=>R2OH+C8H15O#6OH 1.7E+0008 0.000 1950.0 ! OR 7450 CR R918C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 7451 CR R919C4H7OHOOH=>R2OH+C4H7O#4OH 9.2E+0010 0.000 16600.0 ! OR 7452 CR R920C4H7OHOOH=>R2OH+C4H7O#5OH 3.6E+0009 0.000 7000.0 ! OR 7453 CR R930C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7454 CR R931C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7455 CR R932C5H9OHOOH=>R2OH+C5H9O#5OH 3.6E+0009 0.000 7000.0 ! OR 7456 CR R933C5H9OHOOH=>R2OH+C5H9O#6OH 1.7E+0008 0.000 1950.0 ! OR 7457 CR R979C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7458 CR R980C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7459 CR R981C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7460 CR R982C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7461 CR R993C5H10OOH=>R2OH+C5H10O#5 3.6E+0009 0.000 7000.0 ! OR 7462 CR R995C6H12OOH=>R2OH+C6H12O#6 1.7E+0008 0.000 1950.0 ! OR 7463 CR R1005C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7464 CR R1007C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7465 CR R1011C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7466 CR R1012C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7467 CR R1013C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7468 CR R1014C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7469 CR R1024C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7470 CR R1029C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7471 CR R1030C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7472 CR R1031C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7473 CR R1032C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7474 CR R1033C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7475 CR R1034C4H8OOH=>R2OH+C4H8O#3 6.1E+0011 0.000 17950.0 ! OR 7476 CR R1044C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7477 CR R1045C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7478 CR R1046C9H18OOH=>R2OH+C9H18O#5 3.6E+0009 0.000 7000.0 ! OR 7479 CR R1047C9H18OOH=>R2OH+C9H18O#6 1.7E+0008 0.000 1950.0 ! OR 7480 CR R1048C9H18OOH=>R2OH+C9H18O#3 6.1E+0011 0.000 17950.0 ! OR 7481 CR R1049C9H18OOH=>R2OH+C9H18O#4 9.2E+0010 0.000 16600.0 ! OR 7482 CR R1050C5H10OOH=>R2OH+C5H10O#3 6.1E+0011 0.000 17950.0 ! OR 7483 CR R1051C5H10OOH=>R2OH+C5H10O#4 9.2E+0010 0.000 16600.0 ! OR 7484 CR R1052C5H10OOH=>R2OH+C5H10O#5 3.6E+0009 0.000 7000.0 ! OR 7485 CR R1062C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7486 CR R1063C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7487 CR R1064C6H12OOH=>R2OH+C6H12O#5 3.6E+0009 0.000 7000.0 ! OR 7488 CR R1065C6H12OOH=>R2OH+C6H12O#6 1.7E+0008 0.000 1950.0 ! OR 7489 CR R1075C7H12OOHX=>R2OH+C7H12OZ#5 6.0E+0009 0.000 6100.0 ! OR 7490 CR R1075C7H12OOHX=>R2OH+C7H12O#3Z 3.1E+0011 0.000 17950.0 ! OR 7491 CR R1105C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7492 CR R1109C2H3CHOOOH=>R2OH+C2H3O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7493 CR R1111C3H5CHOOOH=>R2OH+C3H5O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7494 CR R1113C4H7CHOOOH=>R2OH+C4H7O#5CHO 3.6E+0009 0.000 7000.0 ! OR 7495 CR R1116C5H8OOHZ=>R2OH+C5H8O#3Z 6.1E+0011 0.000 17950.0 ! OR 7496 CR R1126C6H11CHOOOH=>R2OH+C6H11O#5CHO 3.6E+0009 0.000 7000.0 ! OR 7497 CR R1127C6H11CHOOOH=>R2OH+C6H11O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7498 CR R1128C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7499 CR R1136C2H4COOOH=>R2OH+C2H4O#4CO 9.2E+0010 0.000 16600.0 ! OR 7500 CR R1137C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7501 CR R1138C6H11CHOOOH=>R2OH+C6H11O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7502 CR R1139C6H11CHOOOH=>R2OH+C6H11O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7503 CR R1140C6H11CHOOOH=>R2OH+C6H11O#5CHO 3.6E+0009 0.000 7000.0 ! OR 7504 CR R1142C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7505 CR R1143C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7506 CR R1144C6H11CHOOOH=>R2OH+C6H11O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7507 CR R1145C6H11CHOOOH=>R2OH+C6H11O#5CHO 3.6E+0009 0.000 7000.0 ! OR 7508 CR R1146C6H11CHOOOH=>R2OH+C6H11O#6CHO 1.7E+0008 0.000 1950.0 ! OR 7509 CR R1149C6H11CHOOOH=>R2OH+C6H11O#6CHO 1.7E+0008 0.000 1950.0 ! OR 7510 CR R1153C6H11CHOOOH=>R2OH+C6H11O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7511 CR R1159C3H5CHOOOH=>R2OH+C3H5O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7512 CR R1161C4H7CHOOOH=>R2OH+C4H7O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7513 CR R1167C4H7CHOOOH=>R2OH+C4H7O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7514 CR R1168C4H8OOH=>R2OH+C4H8O#3 6.1E+0011 0.000 17950.0 ! OR 7515 CR R1184C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7516 CR R1186C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7517 CR R1188C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7518 CR R1189C3H5OHOOH=>R2OH+C3H5O#3OH 6.1E+0011 0.000 17950.0 ! OR 7519 CR R1191C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 7520 CR R1198C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7521 CR R1199C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7522 CR R1200C6H11OHOOH=>R2OH+C6H11O#6OH 1.7E+0008 0.000 1950.0 ! OR 7523 CR R1209C3H5OHOOH=>R2OH+C3H5O#4OH 9.2E+0010 0.000 16600.0 ! OR 7524 CR R1224C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 7525 CR R1226C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7526 CR R1231C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 7527 CR R1232C4H7OHOOH=>R2OH+C4H7O#4OH 9.2E+0010 0.000 16600.0 ! OR 7528 CR R1233C4H7OHOOH=>R2OH+C4H7O#5OH 3.6E+0009 0.000 7000.0 ! OR 7529 CR R1244C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7530 CR R1246C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7531 CR R1251C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7532 CR R1252C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7533 CR R1253C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7534 CR R1254C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7535 CR R1255C5H9OHOOH=>R2OH+C5H9O#5OH 3.6E+0009 0.000 7000.0 ! OR 7536 CR R1256C5H9OHOOH=>R2OH+C5H9O#6OH 1.7E+0008 0.000 1950.0 ! OR 7537 CR R1266C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7538 CR R1267C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7539 CR R1268C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7540 CR R1269C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7541 CR R1270C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7542 CR R1271C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7543 CR R1272C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7544 CR R1273C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7545 CR R1274C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7546 CR R1275C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7547 CR R1276C6H11OHOOH=>R2OH+C6H11O#6OH 1.7E+0008 0.000 1950.0 ! OR 7548 CR R1281C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7549 CR R1284C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7550 CR R1285C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7551 CR R1291C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7552 CR R1292C5H9OHOOH=>R2OH+C5H9O#5OH 3.6E+0009 0.000 7000.0 ! OR 7553 CR R1295C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7554 CR R1296C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7555 CR R1297C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7556 CR R1306C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7557 CR R1307C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7558 CR R1308C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7559 CR R1309C6H11OHOOH=>R2OH+C6H11O#6OH 1.7E+0008 0.000 1950.0 ! OR 7560 CR R1319C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7561 CR R1320C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7562 CR R1321C6H11OHOOH=>R2OH+C6H11O#6OH 1.7E+0008 0.000 1950.0 ! OR 7563 CR R1328C3H5OHOOH=>R2OH+C3H5O#3OH 6.1E+0011 0.000 17950.0 ! OR 7564 CR R1330C4H7OHOOH=>R2OH+C4H7O#4OH 9.2E+0010 0.000 16600.0 ! OR 7565 CR R1344C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 7566 CR R1346C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7567 CR R1350C4H7OHOOH=>R2OH+C4H7O#3OH 6.1E+0011 0.000 17950.0 ! OR 7568 CR R1351C4H7OHOOH=>R2OH+C4H7O#4OH 9.2E+0010 0.000 16600.0 ! OR 7569 CR R1359C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7570 CR R1360C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7571 CR R1361C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7572 CR R1362C5H9OHOOH=>R2OH+C5H9O#5OH 3.6E+0009 0.000 7000.0 ! OR 7573 CR R1363C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7574 CR R1364C5H9OHOOH=>R2OH+C5H9O#5OH 3.6E+0009 0.000 7000.0 ! OR 7575 CR R1386C5H10OOH=>R2OH+C5H10O#4 9.2E+0010 0.000 16600.0 ! OR 7576 CR R1389C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7577 CR R1390C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7578 CR R1393C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7579 CR R1394C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7580 CR R1395C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7581 CR R1401C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7582 CR R1402C6H12OOH=>R2OH+C6H12O#5 3.6E+0009 0.000 7000.0 ! OR 7583 CR R1405C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7584 CR R1406C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7585 CR R1407C7H14OOH=>R2OH+C7H14O#5 3.6E+0009 0.000 7000.0 ! OR 7586 CR R1416C7H14OOH=>R2OH+C7H14O#3 6.1E+0011 0.000 17950.0 ! OR 7587 CR R1417C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7588 CR R1418C7H14OOH=>R2OH+C7H14O#5 3.6E+0009 0.000 7000.0 ! OR 7589 CR R1419C7H14OOH=>R2OH+C7H14O#6 1.7E+0008 0.000 1950.0 ! OR 7590 CR R1429C7H14OOH=>R2OH+C7H14O#4 9.2E+0010 0.000 16600.0 ! OR 7591 CR R1430C7H14OOH=>R2OH+C7H14O#5 3.6E+0009 0.000 7000.0 ! OR 7592 CR R1431C7H14OOH=>R2OH+C7H14O#6 1.7E+0008 0.000 1950.0 ! OR 7593 CR R1439C4H8OOH=>R2OH+C4H8O#3 6.1E+0011 0.000 17950.0 ! OR 7594 CR R1441C5H10OOH=>R2OH+C5H10O#4 9.2E+0010 0.000 16600.0 ! OR 7595 CR R1453C5H10OOH=>R2OH+C5H10O#3 6.1E+0011 0.000 17950.0 ! OR 7596 CR R1455C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7597 CR R1461C5H10OOH=>R2OH+C5H10O#3 6.1E+0011 0.000 17950.0 ! OR 7598 CR R1462C5H10OOH=>R2OH+C5H10O#4 9.2E+0010 0.000 16600.0 ! OR 7599 CR R1470C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7600 CR R1471C6H12OOH=>R2OH+C6H12O#3 6.1E+0011 0.000 17950.0 ! OR 7601 CR R1472C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7602 CR R1473C6H12OOH=>R2OH+C6H12O#5 3.6E+0009 0.000 7000.0 ! OR 7603 CR R1474C6H12OOH=>R2OH+C6H12O#4 9.2E+0010 0.000 16600.0 ! OR 7604 CR R1475C6H12OOH=>R2OH+C6H12O#5 3.6E+0009 0.000 7000.0 ! OR 7605 CR R1490C3H6COOOH=>R2OH+C3H6O#3CO 6.1E+0011 0.000 17950.0 ! OR 7606 CR R1494C4H8COOOH=>R2OH+C4H8O#3CO 6.1E+0011 0.000 17950.0 ! OR 7607 CR R1499C8H14OOHV=>R2OH+C8H14OZ#4 2.5E+0010 0.000 18850.0 ! OR 7608 CR R1500C8H14OOHV=>R2OH+C8H14OZ#5 2.1E+0009 0.000 6100.0 ! OR 7609 CR R1508C3H6COOOH=>R2OH+C3H6O#5CO 3.6E+0009 0.000 7000.0 ! OR 7610 CR R1510C4H8COOOH=>R2OH+C4H8O#6CO 1.7E+0008 0.000 1950.0 ! OR 7611 CR R1517C2H3CHOOOH=>R2OH+C2H3O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7612 CR R1518C2H4COOOH=>R2OH+C2H4O#4CO 2.5E+0010 0.000 18850.0 ! OR 7613 CR R1524C3H5CHOOOH=>R2OH+C3H5O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7614 CR R1525C3H5CHOOOH=>R2OH+C3H5O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7615 CR R1526C3H6COOOH=>R2OH+C3H6O#5CO 3.6E+0009 0.000 7000.0 ! OR 7616 CR R1529C4H7CHOOOH=>R2OH+C4H7O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7617 CR R1530C4H7CHOOOH=>R2OH+C4H7O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7618 CR R1531C4H7CHOOOH=>R2OH+C4H7O#5CHO 3.6E+0009 0.000 7000.0 ! OR 7619 CR R1532C4H8COOOH=>R2OH+C4H8O#6CO 1.7E+0008 0.000 1950.0 ! OR 7620 CR R1540C3H6COOOH=>R2OH+C3H6O#4CO 9.2E+0010 0.000 16600.0 ! OR 7621 CR R1543C4H7CHOOOH=>R2OH+C4H7O#3CHO 6.1E+0011 0.000 17950.0 ! OR 7622 CR R1544C4H8COOOH=>R2OH+C4H8O#4CO 9.2E+0010 0.000 16600.0 ! OR 7623 CR R1548C4H7CHOOOH=>R2OH+C4H7O#4CHO 9.2E+0010 0.000 16600.0 ! OR 7624 CR R1549C4H8COOOH=>R2OH+C4H8O#5CO 3.6E+0009 0.000 7000.0 ! OR 7625 CR R1560C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7626 CR R1578C4H7OHOOH=>R2OH+C4H7O#4OH 9.2E+0010 0.000 16600.0 ! OR 7627 CR R1581C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7628 CR R1582C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7629 CR R1590C5H9OHOOH=>R2OH+C5H9O#4OH 9.2E+0010 0.000 16600.0 ! OR 7630 CR R1591C5H9OHOOH=>R2OH+C5H9O#5OH 3.6E+0009 0.000 7000.0 ! OR 7631 CR R1593C6H11OHOOH=>R2OH+C6H11O#3OH 6.1E+0011 0.000 17950.0 ! OR 7632 CR R1594C6H11OHOOH=>R2OH+C6H11O#4OH 9.2E+0010 0.000 16600.0 ! OR 7633 CR R1595C6H11OHOOH=>R2OH+C6H11O#5OH 3.6E+0009 0.000 7000.0 ! OR 7634 CR R1603C5H9OHOOH=>R2OH+C5H9O#3OH 6.1E+0011 0.000 17950.0 ! OR 7635 CR ! oxidations : R27C8H15X+O2=>C8H14Z213+R3OOH 1.6E+0012 0.000 15500.0 ! OX 7636 CN ! DUPLICATE R27C8H15X+O2=>C8H14Z2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7637 CN 12 ! DUPLICATE R29C8H15Z+O2=>C8H14Z2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7638 CN 17 R30C8H15Z+O2=>C8H14Z2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7639 CN 14 ! DUPLICATE R30C8H15Z+O2=>C8H14Z213+R3OOH 2.6E+0011 0.000 2500.0 ! OX 7640 CN ! DUPLICATE R31C8H15Z+O2=>C8H14Z2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7641 CN 14 DUPLICATE R31C8H15Z+O2=>C8H14Z2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7642 CN 15 DUPLICATE R32C8H15Z+O2=>C8H14Z2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7643 CN 15 DUPLICATE R32C8H15Z+O2=>C8H14Z2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7644 CN 16 DUPLICATE R33C8H15Z+O2=>C8H14Z2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7645 CN 16 DUPLICATE R33C8H15Z+O2=>C8H14Z2+R3OOH 6.9E+0011 0.000 5000.0 ! OX 7646 CN 17 DUPLICATE R34C8H17+O2=>C8H16Z+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7647 CN R34C8H17+O2=>C8H16Z-1+R3OOH 8.1E+0011 0.000 5000.0 ! OX 7648 CN R35C8H17+O2=>C8H16Z-1+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7649 CN R36C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7650 CN DUPLICATE R36C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7651 CN DUPLICATE R37C8H16OH+O2=>C8H15OHZ+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7652 CN R45C7H13X+O2=>C7H12Z2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7653 CN R49C6H11X+O2=>C6H10Z2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7654 CN R66C8H15V+O2=>HCHO+R154C6H13CO 4.6E+0016 -1.390 1010.0 ! OX 7655 CN R68C8H15V+O2=>C6H13CHO+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7656 CN R46C7H13V+O2=>HCHO+RCOC5H11 4.6E+0016 -1.390 1010.0 ! OX 7655 CN R47C7H13V+O2=>C5H11CHO+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7656 CN R50C6H11V+O2=>HCHO+R1152C4H9CO 4.6E+0016 -1.390 1010.0 ! OX 7655 CN R51C6H11V+O2=>C4H9CHO+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7656 CN R53C5H9V+O2=>HCHO+R1148C3H7CO 4.6E+0016 -1.390 1010.0 ! OX 7655 CN R54C5H9V+O2=>C3H7CHO+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7656 CN R56C4H7V+O2=>C2H5CHO+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7656 CN RC3H5V+O2=>CH3CHO+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7656 CN R77C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7657 CN DUPLICATE R77C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7658 CN DUPLICATE R78C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7659 CN DUPLICATE R78C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7660 CN DUPLICATE R79C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7661 CN DUPLICATE R79C8H16OH+O2=>C8H15OHZ+R3OOH 8.1E+0011 0.000 5000.0 ! OX 7662 CN DUPLICATE R80C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7663 CN R82C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7664 CN DUPLICATE R82C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7665 CN DUPLICATE R83C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7666 CN DUPLICATE R83C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7667 CN DUPLICATE R84C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7668 CN DUPLICATE R84C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7669 CN DUPLICATE R85C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7670 CN DUPLICATE R85C8H16OH+O2=>C8H15OHZ+R3OOH 8.1E+0011 0.000 5000.0 ! OX 7671 CN DUPLICATE R107C7H12OOHX+O2=>C7H11OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7672 CN R115C6H10OOHX+O2=>C6H9OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7673 CN R122C5H8OOHX+O2=>C5H7OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7674 CN R126C4H6OOHX+O2=>C4H5OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7675 CN R136C8H14OOHV+O2=>HCHO+R317C6H12COOOH 4.6E+0016 -1.390 1010.0 ! OX 7676 CN R137C8H14OOHV+O2=>C6H12CHOOOH+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7677 CN R138C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7678 CN DUPLICATE R138C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 7.5E+0010 0.000 5000.0 ! OX 7679 CN DUPLICATE R139C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7680 CN DUPLICATE R139C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7681 CN DUPLICATE R140C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7682 CN DUPLICATE R140C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7683 CN DUPLICATE R141C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7684 CN DUPLICATE R141C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 6.9E+0011 0.000 5000.0 ! OX 7685 CN DUPLICATE R142C8H14OOHV+O2=>C5H11CHO+R331CH2COOOH 4.6E+0016 -1.390 1010.0 ! OX 7686 CN R150C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7687 CN DUPLICATE R150C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7688 CN DUPLICATE R151C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7689 CN DUPLICATE R151C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7690 CN DUPLICATE R152C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7691 CN DUPLICATE R152C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7692 CN DUPLICATE R153C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7693 CN DUPLICATE R153C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 2.6E+0011 0.000 2500.0 ! OX 7694 CN DUPLICATE R155C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 2.3E+0011 0.000 15500.0 ! OX 7695 CN DUPLICATE R155C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7696 CN DUPLICATE R156C8H14OOHV+O2=>HCHO+R362C6H12COOOH 4.6E+0016 -1.390 1010.0 ! OX 7697 CN R157C8H14OOHV+O2=>C6H12CHOOOH+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7698 CN R158C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 4.5E+0011 0.000 5000.0 ! OX 7699 CN DUPLICATE R158C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7700 CN DUPLICATE R159C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7701 CN DUPLICATE R159C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7702 CN DUPLICATE R160C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7703 CN DUPLICATE R160C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 6.9E+0011 0.000 5000.0 ! OX 7704 CN DUPLICATE R161C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7705 CN R162C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 4.5E+0011 0.000 5000.0 ! OX 7706 CN DUPLICATE R162C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7707 CN DUPLICATE R163C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7708 CN DUPLICATE R163C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 6.9E+0011 0.000 5000.0 ! OX 7709 CN DUPLICATE R164C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7710 CN R165C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 4.5E+0011 0.000 5000.0 ! OX 7711 CN DUPLICATE R165C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 2.6E+0011 0.000 2500.0 ! OX 7712 CN DUPLICATE R166C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 15500.0 ! OX 7713 CN DUPLICATE R166C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7714 CN DUPLICATE R167C8H14OOHV+O2=>HCHO+R378C6H12COOOH 4.6E+0016 -1.390 1010.0 ! OX 7715 CN R168C8H14OOHV+O2=>C6H12CHOOOH+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7716 CN R169C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 4.5E+0011 0.000 5000.0 ! OX 7717 CN DUPLICATE R169C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 6.9E+0011 0.000 5000.0 ! OX 7718 CN DUPLICATE R170C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7719 CN R171C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7720 CN DUPLICATE R171C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 4.5E+0011 0.000 5000.0 ! OX 7721 CN DUPLICATE R172C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7722 CN DUPLICATE R172C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 2.6E+0011 0.000 2500.0 ! OX 7723 CN DUPLICATE R173C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 15500.0 ! OX 7724 CN DUPLICATE R173C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7725 CN DUPLICATE R174C8H14OOHV+O2=>HCHO+R390C6H12COOOH 4.6E+0016 -1.390 1010.0 ! OX 7726 CN R175C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 4.5E+0011 0.000 5000.0 ! OX 7727 CN R176C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7728 CN DUPLICATE R176C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 4.5E+0011 0.000 5000.0 ! OX 7729 CN DUPLICATE R177C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7730 CN DUPLICATE R177C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7731 CN DUPLICATE R178C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7732 CN DUPLICATE R178C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 2.6E+0011 0.000 2500.0 ! OX 7733 CN DUPLICATE R179C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 15500.0 ! OX 7734 CN DUPLICATE R179C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7735 CN DUPLICATE R191C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7736 CN !R191C8H15OHOOH+O2=>C7H14CHOOOH+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7737 CN !da Silva et al. J. Phys. Chem. A 2009, 113, 8923–8933 R191C8H15OHOOH+O2=>C8KET12+R3OOH 5.28E+017 -1.638 839.0 ! OX 7737 CN plog / 0.001 5.260e+17 -1.637 838. / plog / 0.01 5.260e+17 -1.637 838. / plog / 0.1 5.260e+17 -1.637 838. / plog / 1.0 5.280e+17 -1.638 839. / plog / 10.0 1.540e+18 -1.771 1120. / plog / 100.0 3.780e+20 -2.429 3090. / R192C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7738 CN DUPLICATE R192C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7739 CN DUPLICATE R193C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7740 CN DUPLICATE R193C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7741 CN DUPLICATE R194C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7742 CN DUPLICATE R194C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7743 CN DUPLICATE R195C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7744 CN DUPLICATE R195C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7745 CN DUPLICATE R197C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7746 CN !R197C8H16OH+O2=>C7H15CHO+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7747 CN !da Silva et al. J. Phys. Chem. A 2009, 113, 8923–8933 R197C8H16OH+O2=>C7H15CHO+R3OOH 5.28E+017 -1.638 839.0 ! OX 7747 CN plog / 0.001 5.260e+17 -1.637 838. / plog / 0.01 5.260e+17 -1.637 838. / plog / 0.1 5.260e+17 -1.637 838. / plog / 1.0 5.280e+17 -1.638 839. / plog / 10.0 1.540e+18 -1.771 1120. / plog / 100.0 3.780e+20 -2.429 3090. / R200C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7748 CN DUPLICATE R200C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7749 CN DUPLICATE R203C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7750 CN DUPLICATE R203C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7751 CN DUPLICATE R207C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7752 CN DUPLICATE R207C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7753 CN DUPLICATE !R207C8H15OHOOH+O2=>C7H15COOOH+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7754 CN !da Silva et al. J. Phys. Chem. A 2009, 113, 8923–8933 R207C8H15OHOOH+O2=>C8KET21+R3OOH 5.28E+017 -1.638 839.0 ! OX 7754 CN plog / 0.001 5.260e+17 -1.637 838. / plog / 0.01 5.260e+17 -1.637 838. / plog / 0.1 5.260e+17 -1.637 838. / plog / 1.0 5.280e+17 -1.638 839. / plog / 10.0 1.540e+18 -1.771 1120. / plog / 100.0 3.780e+20 -2.429 3090. / R208C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7755 CN DUPLICATE R208C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7756 CN DUPLICATE R209C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7757 CN DUPLICATE R209C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7758 CN DUPLICATE R210C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7759 CN DUPLICATE R210C8H15OHOOH+O2=>C8H14OHOOHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7760 CN DUPLICATE R212C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7761 CN R214C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7762 CN DUPLICATE R214C8H16OH+O2=>C8H15OHZ+R3OOH 8.1E+0011 0.000 5000.0 ! OX 7763 CN DUPLICATE !R214C8H16OH+O2=>C7H16CO+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7764 CN !da Silva et al. J. Phys. Chem. A 2009, 113, 8923–8933 R214C8H16OH+O2=>C7H16CO+R3OOH 5.28E+017 -1.638 839.0 plog / 0.001 5.260e+17 -1.637 838. / plog / 0.01 5.260e+17 -1.637 838. / plog / 0.1 5.260e+17 -1.637 838. / plog / 1.0 5.280e+17 -1.638 839. / plog / 10.0 1.540e+18 -1.771 1120. / plog / 100.0 3.780e+20 -2.429 3090. / R217C8H16OH+O2=>C8H15OHZ+R3OOH 1.9E+0012 0.000 5000.0 ! OX 7765 CN DUPLICATE R217C8H16OH+O2=>C8H15OHZ+R3OOH 6.4E+0011 0.000 5000.0 ! OX 7766 CN DUPLICATE R245C3H7+O2=>C3H6Y+R3OOH 2.3E+0012 0.000 5000.0 ! OX 7767 CW R316C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7768 CN R323C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 15500.0 ! OX 7769 CN DUPLICATE R323C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7770 CN DUPLICATE R327C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 2.6E+0011 0.000 2500.0 ! OX 7771 CN DUPLICATE R327C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7772 CN DUPLICATE R328C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7773 CN DUPLICATE R328C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7774 CN DUPLICATE R329C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7775 CN DUPLICATE R329C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 6.9E+0011 0.000 5000.0 ! OX 7776 CN DUPLICATE R330C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7777 CN R348C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 15500.0 ! OX 7778 CN DUPLICATE R348C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7779 CN DUPLICATE R349C8H14OOHV+O2=>HCHO+R706C6H12COOOH 4.6E+0016 -1.390 1010.0 ! OX 7780 CN R350C8H14OOHV+O2=>C6H12CHOOOH+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7781 CN R353C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7782 CN R363C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7783 CN DUPLICATE R363C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 2.6E+0011 0.000 2500.0 ! OX 7784 CN DUPLICATE R373C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7785 CN DUPLICATE R373C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7786 CN DUPLICATE R380C8H14OOHV+O2=>C6H12CHOOOH+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7787 CN R387C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7788 CN DUPLICATE R387C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7789 CN DUPLICATE R392C8H14OOHV+O2=>HCHO+R749C6H12COOOH 4.6E+0016 -1.390 1010.0 ! OX 7790 CN R394C8H14OOHV+O2=>C6H12CHOOOH+R5CHO 4.6E+0016 -1.390 1010.0 ! OX 7791 CN R397C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 5000.0 ! OX 7792 CN DUPLICATE R397C8H14OOHZ+O2=>C8H13OOHZ2+R3OOH 6.9E+0011 0.000 5000.0 ! OX 7793 CN DUPLICATE R688C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.6E+0012 0.000 15500.0 ! OX 7794 CN DUPLICATE R688C8H14OOHX+O2=>C8H13OOHZ2+R3OOH 1.0E+0012 0.000 22730.0 ! OX 7795 CN DUPLICATE ! oxidations of R(.)(OH) radicals: ! metathesis : B1O+C8H16Z-1=>R2OH+R29C8H15Z 5.1E+0013 0.000 7850.0 ! ME 9175 CW B1O+C8H16Z-1=>R2OH+R27C8H15X 8.8E+0010 0.700 3250.0 ! ME 9176 CW B1O+C8H16Z-1=>R2OH+R30C8H15Z 2.6E+0013 0.000 5200.0 ! ME 9177 CW B1O+C8H16Z-1=>R2OH+R31C8H15Z 2.6E+0013 0.000 5200.0 ! ME 9178 CW B1O+C8H16Z-1=>R2OH+R32C8H15Z 2.6E+0013 0.000 5200.0 ! ME 9179 CW B1O+C8H16Z-1=>R2OH+R33C8H15Z 2.6E+0013 0.000 5200.0 ! ME 9180 CW C8H16Z-1+R1H=>H2+R29C8H15Z 2.9E+0007 2.000 7700.0 ! ME 7796 CW !C8H16Z-1+R1H=>H2+R27C8H15X 5.4E+0004 2.500 -1900.0 ! ME 7797 CN !Ref Mehl et al. PCI 33 (2011) 193–200 C8H16Z-1+R1H=>H2+R27C8H15X 3.376E+05 2.360 207.0 ! ME 7797 CN C8H16Z-1+R1H=>H2+R30C8H15Z 9.0E+0006 2.000 5000.0 ! ME 7798 CW C8H16Z-1+R1H=>H2+R31C8H15Z 9.0E+0006 2.000 5000.0 ! ME 7799 CW C8H16Z-1+R1H=>H2+R32C8H15Z 9.0E+0006 2.000 5000.0 ! ME 7800 CW C8H16Z-1+R1H=>H2+R33C8H15Z 9.0E+0006 2.000 5000.0 ! ME 7801 CW C8H16Z-1+R2OH=>H2O+R29C8H15Z 2.7E+0006 2.000 450.0 ! ME 7802 CW !C8H16Z-1+R2OH=>H2O+R27C8H15X 3.0E+0006 2.000 -1520.0 ! ME 7803 CN !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C8H16Z-1+R2OH=>H2O+R27C8H15X 1.95E+0005 2.500 729.3 ! ME 7803 CN C8H16Z-1+R2OH=>H2O+R30C8H15Z 2.6E+0006 2.000 -765.0 ! ME 7804 CW C8H16Z-1+R2OH=>H2O+R31C8H15Z 2.6E+0006 2.000 -765.0 ! ME 7805 CW C8H16Z-1+R2OH=>H2O+R32C8H15Z 2.6E+0006 2.000 -765.0 ! ME 7806 CW C8H16Z-1+R2OH=>H2O+R33C8H15Z 2.6E+0006 2.000 -765.0 ! ME 7807 CW C8H16Z-1+R3OOH=>H2O2+R29C8H15Z 6.0E+0011 0.000 17000.0 ! ME 7808 CN C8H16Z-1+R3OOH=>H2O2+R27C8H15X 6.4E+0003 2.600 12400.0 ! ME 7809 CN C8H16Z-1+R3OOH=>H2O2+R30C8H15Z 4.0E+0011 0.000 15500.0 ! ME 7810 CN C8H16Z-1+R3OOH=>H2O2+R31C8H15Z 4.0E+0011 0.000 15500.0 ! ME 7811 CN C8H16Z-1+R3OOH=>H2O2+R32C8H15Z 4.0E+0011 0.000 15500.0 ! ME 7812 CN C8H16Z-1+R3OOH=>H2O2+R33C8H15Z 4.0E+0011 0.000 15500.0 ! ME 7813 CN C8H16Z-1+R4CH3=>CH4+R29C8H15Z 3.0E-0001 4.000 8200.0 ! ME 7814 CN C8H16Z-1+R4CH3=>CH4+R27C8H15X 1.0E+0011 0.000 7300.0 ! ME 7815 CN C8H16Z-1+R4CH3=>CH4+R30C8H15Z 2.0E+0011 0.000 9600.0 ! ME 7816 CN C8H16Z-1+R4CH3=>CH4+R31C8H15Z 2.0E+0011 0.000 9600.0 ! ME 7817 CN C8H16Z-1+R4CH3=>CH4+R32C8H15Z 2.0E+0011 0.000 9600.0 ! ME 7818 CN C8H16Z-1+R4CH3=>CH4+R33C8H15Z 2.0E+0011 0.000 9600.0 ! ME 7819 CN C8H16Z-1+R5CHO=>HCHO+R29C8H15Z 1.0E+0005 2.500 18500.0 ! ME 7820 CN C8H16Z-1+R5CHO=>HCHO+R27C8H15X 1.1E+0009 1.300 15500.0 ! ME 7821 CN C8H16Z-1+R5CHO=>HCHO+R30C8H15Z 1.0E+0007 1.900 17000.0 ! ME 7822 CN C8H16Z-1+R5CHO=>HCHO+R31C8H15Z 1.0E+0007 1.900 17000.0 ! ME 7823 CN C8H16Z-1+R5CHO=>HCHO+R32C8H15Z 1.0E+0007 1.900 17000.0 ! ME 7824 CN C8H16Z-1+R5CHO=>HCHO+R33C8H15Z 1.0E+0007 1.900 17000.0 ! ME 7825 CN C8H16Z-1+R6CH2OH=>CH3OH+R29C8H15Z 9.9E+0001 2.950 14000.0 ! ME 7826 CN C8H16Z-1+R6CH2OH=>CH3OH+R27C8H15X 3.6E+0001 2.950 10000.0 ! ME 7827 CN C8H16Z-1+R6CH2OH=>CH3OH+R30C8H15Z 6.0E+0001 2.950 12000.0 ! ME 7828 CN C8H16Z-1+R6CH2OH=>CH3OH+R31C8H15Z 6.0E+0001 2.950 12000.0 ! ME 7829 CN C8H16Z-1+R6CH2OH=>CH3OH+R32C8H15Z 6.0E+0001 2.950 12000.0 ! ME 7830 CN C8H16Z-1+R6CH2OH=>CH3OH+R33C8H15Z 6.0E+0001 2.950 12000.0 ! ME 7831 CN C8H16Z-1+R7CH3O=>CH3OH+R29C8H15Z 1.6E+0011 0.000 7300.0 ! ME 7832 CN !C8H16Z-1+R7CH3O=>CH3OH+R27C8H15X 1.8E+0012 0.000 1200.0 ! ME 7833 CN !K. Zhang et al. / Combustion and Flame 162 (2015) 4194–4207 C8H16Z-1+R7CH3O=>CH3OH+R27C8H15X 4.000E+01 2.900 8609.0 ! ME 7833 CN C8H16Z-1+R7CH3O=>CH3OH+R30C8H15Z 1.5E+0011 0.000 4500.0 ! ME 7834 CN C8H16Z-1+R7CH3O=>CH3OH+R31C8H15Z 1.5E+0011 0.000 4500.0 ! ME 7835 CN C8H16Z-1+R7CH3O=>CH3OH+R32C8H15Z 1.5E+0011 0.000 4500.0 ! ME 7836 CN C8H16Z-1+R7CH3O=>CH3OH+R33C8H15Z 1.5E+0011 0.000 4500.0 ! ME 7837 CN C8H16Z-1+R8CH3OO=>CH3OOH+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7838 CN C8H16Z-1+R8CH3OO=>CH3OOH+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7839 CN C8H16Z-1+R8CH3OO=>CH3OOH+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7840 CN C8H16Z-1+R8CH3OO=>CH3OOH+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7841 CN C8H16Z-1+R8CH3OO=>CH3OOH+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7842 CN C8H16Z-1+R8CH3OO=>CH3OOH+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7843 CN C8H16Z-1+R11C2H5=>C2H6+R29C8H15Z 3.0E+0011 0.000 13500.0 ! ME 7844 CR C8H16Z-1+R11C2H5=>C2H6+R27C8H15X 1.5E+0000 3.500 4140.0 ! ME 7845 CN C8H16Z-1+R11C2H5=>C2H6+R30C8H15Z 2.0E+0011 0.000 11000.0 ! ME 7846 CN C8H16Z-1+R11C2H5=>C2H6+R31C8H15Z 2.0E+0011 0.000 11000.0 ! ME 7847 CN C8H16Z-1+R11C2H5=>C2H6+R32C8H15Z 2.0E+0011 0.000 11000.0 ! ME 7848 CN C8H16Z-1+R11C2H5=>C2H6+R33C8H15Z 2.0E+0011 0.000 11000.0 ! ME 7849 CN C8H16Z-1+R60C8H15OOZ=>C8H15OOHZ-1+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7850 CN C8H16Z-1+R60C8H15OOZ=>C8H15OOHZ-1+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7851 CN C8H16Z-1+R60C8H15OOZ=>C8H15OOHZ-1+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7852 CN C8H16Z-1+R60C8H15OOZ=>C8H15OOHZ-1+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7853 CN C8H16Z-1+R60C8H15OOZ=>C8H15OOHZ-1+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7854 CN C8H16Z-1+R60C8H15OOZ=>C8H15OOHZ-1+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7855 CN C8H16Z-1+R61C8H15OOZ=>C8H15OOHZ-2+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7856 CN C8H16Z-1+R61C8H15OOZ=>C8H15OOHZ-2+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7857 CN C8H16Z-1+R61C8H15OOZ=>C8H15OOHZ-2+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7858 CN C8H16Z-1+R61C8H15OOZ=>C8H15OOHZ-2+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7859 CN C8H16Z-1+R61C8H15OOZ=>C8H15OOHZ-2+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7860 CN C8H16Z-1+R61C8H15OOZ=>C8H15OOHZ-2+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7861 CN C8H16Z-1+R65C8H15OOZ=>C8H15OOHZ+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7862 CN C8H16Z-1+R65C8H15OOZ=>C8H15OOHZ+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7863 CN C8H16Z-1+R65C8H15OOZ=>C8H15OOHZ+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7864 CN C8H16Z-1+R65C8H15OOZ=>C8H15OOHZ+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7865 CN C8H16Z-1+R65C8H15OOZ=>C8H15OOHZ+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7866 CN C8H16Z-1+R65C8H15OOZ=>C8H15OOHZ+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7867 CN C8H16Z-1+R67C8H15OOZ=>C8H15OOHZ+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7868 CN C8H16Z-1+R67C8H15OOZ=>C8H15OOHZ+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7869 CN C8H16Z-1+R67C8H15OOZ=>C8H15OOHZ+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7870 CN C8H16Z-1+R67C8H15OOZ=>C8H15OOHZ+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7871 CN C8H16Z-1+R67C8H15OOZ=>C8H15OOHZ+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7872 CN C8H16Z-1+R67C8H15OOZ=>C8H15OOHZ+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7873 CN C8H16Z-1+R69C8H15OOZ=>C8H15OOHZ+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7874 CN C8H16Z-1+R69C8H15OOZ=>C8H15OOHZ+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7875 CN C8H16Z-1+R69C8H15OOZ=>C8H15OOHZ+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7876 CN C8H16Z-1+R69C8H15OOZ=>C8H15OOHZ+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7877 CN C8H16Z-1+R69C8H15OOZ=>C8H15OOHZ+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7878 CN C8H16Z-1+R69C8H15OOZ=>C8H15OOHZ+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7879 CN C8H16Z-1+R70C8H15OOZ=>C8H15OOHZ+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7880 CN C8H16Z-1+R70C8H15OOZ=>C8H15OOHZ+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7881 CN C8H16Z-1+R70C8H15OOZ=>C8H15OOHZ+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7882 CN C8H16Z-1+R70C8H15OOZ=>C8H15OOHZ+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7883 CN C8H16Z-1+R70C8H15OOZ=>C8H15OOHZ+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7884 CN C8H16Z-1+R70C8H15OOZ=>C8H15OOHZ+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7885 CN C8H16Z-1+R71C8H15OOZ=>C8H15OOHZ+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7886 CN C8H16Z-1+R71C8H15OOZ=>C8H15OOHZ+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7887 CN C8H16Z-1+R71C8H15OOZ=>C8H15OOHZ+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7888 CN C8H16Z-1+R71C8H15OOZ=>C8H15OOHZ+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7889 CN C8H16Z-1+R71C8H15OOZ=>C8H15OOHZ+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7890 CN C8H16Z-1+R71C8H15OOZ=>C8H15OOHZ+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7891 CN C8H16Z-1+R76C8H16OHOO=>C8H16OHOOH+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7892 CN C8H16Z-1+R76C8H16OHOO=>C8H16OHOOH+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7893 CN C8H16Z-1+R76C8H16OHOO=>C8H16OHOOH+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7894 CN C8H16Z-1+R76C8H16OHOO=>C8H16OHOOH+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7895 CN C8H16Z-1+R76C8H16OHOO=>C8H16OHOOH+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7896 CN C8H16Z-1+R76C8H16OHOO=>C8H16OHOOH+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7897 CN C8H16Z-1+R81C8H16OHOO=>C8H16OHOOH+R29C8H15Z 6.0E+0012 0.000 20000.0 ! ME 7898 CN C8H16Z-1+R81C8H16OHOO=>C8H16OHOOH+R27C8H15X 1.0E+0012 0.000 14550.0 ! ME 7899 CN C8H16Z-1+R81C8H16OHOO=>C8H16OHOOH+R30C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7900 CN C8H16Z-1+R81C8H16OHOO=>C8H16OHOOH+R31C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7901 CN C8H16Z-1+R81C8H16OHOO=>C8H16OHOOH+R32C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7902 CN C8H16Z-1+R81C8H16OHOO=>C8H16OHOOH+R33C8H15Z 3.0E+0012 0.000 17500.0 ! ME 7903 CN C8H16Z-1+R245C3H7=>C3H8+R29C8H15Z 4.2E-0003 4.200 8700.0 ! ME 7904 CN C8H16Z-1+R245C3H7=>C3H8+R27C8H15X 4.4E-0002 4.000 7360.0 ! ME 7905 CN C8H16Z-1+R245C3H7=>C3H8+R30C8H15Z 2.8E-0003 4.200 8000.0 ! ME 7906 CN C8H16Z-1+R245C3H7=>C3H8+R31C8H15Z 2.8E-0003 4.200 8000.0 ! ME 7907 CN C8H16Z-1+R245C3H7=>C3H8+R32C8H15Z 2.8E-0003 4.200 8000.0 ! ME 7908 CN C8H16Z-1+R245C3H7=>C3H8+R33C8H15Z 2.8E-0003 4.200 8000.0 ! ME 7909 CN ! combinations : R1H+R27C8H15X=>C8H16Z-1 8.2E+0012 0.000 0.0 ! CO 7910 KB R1H+R245C3H7=>C3H8 8.3E+0012 0.000 0.0 ! CO 7911 KB R2OH+R27C8H15X=>C8H15OHZ 5.4E+0012 0.000 0.0 ! CO 7912 KB R2OH+R245C3H7=>C3H7OH 5.9E+0012 0.000 0.0 ! CO 7913 KB R3OOH+R245C3H7=>C3H7OOH 4.8E+0012 0.000 0.0 ! CO 7915 KB R4CH3+R27C8H15X=>C9H18Z 1.4E+0013 0.000 0.0 ! CO 7916 KB R4CH3+R245C3H7=>C4H10 1.5E+0013 0.000 0.0 ! CO 7917 KB R5CHO+R27C8H15X=>C8H15CHOZ 4.5E+0012 0.000 0.0 ! CO 7918 KB R5CHO+R245C3H7=>C3H7CHO 5.2E+0012 0.000 0.0 ! CO 7919 KB R6CH2OH+R27C8H15X=>C9H17OHZ 4.4E+0012 0.000 0.0 ! CO 7920 KB R6CH2OH+R245C3H7=>C4H9OH 5.1E+0012 0.000 0.0 ! CO 7921 KB R7CH3O+R27C8H15X=>C9H18OZ 4.2E+0012 0.000 0.0 ! CO 7922 KB R7CH3O+R245C3H7=>C4H10O 4.9E+0012 0.000 0.0 ! CO 7923 KB R8CH3OO+R27C8H15X=>C9H18OOZ 3.6E+0012 0.000 0.0 ! CO 7924 KB R8CH3OO+R245C3H7=>C4H10OO 4.4E+0012 0.000 0.0 ! CO 7925 KB R11C2H5+R27C8H15X=>C10H20Z 4.5E+0012 0.000 0.0 ! CO 7926 KB R11C2H5+R245C3H7=>C5H12 5.2E+0012 0.000 0.0 ! CO 7927 KB R27C8H15X+R245C3H7=>C11H22Z 3.9E+0012 0.000 0.0 ! CO 7928 KB R245C3H7+R245C3H7=>C6H14 2.3E+0012 0.000 0.0 ! CO 7929 KB R1498C5H9Y+R3OOH=>C5H9OOHZ 3.0E+0015 -0.800 0.0 ! CO 7932 CN !----------------------------------------------------------- !------------- BEGIN R25C3H5Y + HO2 MECHANISM --------------- !----------------------------------------------------------- !R25C3H5Y+R3OOH=>C3H5OOHZ-1 3.0E+0015 -0.800 0.0 ! CO 7930 CN !Allyl+HO2 MECHANISM for R25C3H5Y REF: Goldsmith et al.JPCA 2012, 116, 3325-3346 !RC2H3CH2OZ, R756C2H3OCH2Z, R757CH2CH2CHO therm properties are also from Goldsmith. R25C3H5Y+R3OOH=C3H5OOHZ-1 1.030E+045 -10.600 7851.5 PLOG/ 0.01 1.91e+031 -7.23 1336.16/ PLOG/ 0.1 6.31e+042 -10.3 5568.88/ PLOG/ 1 1.03e+045 -10.6 7851.49/ PLOG/ 10 2.79e+037 -7.92 6497.86/ PLOG/ 100 4.73e+025 -4.13 2923.78/ R25C3H5Y+R3OOH=C2H3CHOZ+H2O 6.050E+005 1.390 595.1 PLOG/ 0.01 1.09 3.01 -3421.08/ PLOG/ 0.1 63.5 2.5 -2341.44/ PLOG/ 1 6.05e+005 1.39 595.059/ PLOG/ 10 3.1e+005 1.59 2677.55/ PLOG/ 100 5.07e-005 4.59 927.501/ R25C3H5Y+R3OOH=RC2H3CH2OZ+R2OH 7.770E+017 -1.520 2379.2 PLOG/ 0.01 1.02e+013 -0.158 -1417.01/ PLOG/ 0.1 4.98e+014 -0.642 -349.128/ PLOG/ 1 7.77e+017 -1.52 2379.2/ PLOG/ 10 2.93e+015 -0.684 3615.32/ PLOG/ 100 1.64e+004 2.74 1144.38/ ! C3H5OOHZ-1 allyl-hydroperoxide decomposition C3H5OOHZ-1=C2H3CHOZ+H2O 1.500E+040 -8.840 53179.2 PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C3H5OOHZ-1=RC2H3CH2OZ+R2OH 3.360E+046 -9.810 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ ! RC2H3CH2OZ allyloxy decomposition RC2H3CH2OZ=R10C2H3V+HCHO 1.070E+026 -4.560 24622.9 PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC2H3CH2OZ=R10C2H3V+HCHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE !RC2H3CH2OZ=R756C2H3OCH2Z 1.510E+028 -5.400 18165.4 !RC2H3CH2OZ=R757CH2CH2CHO 6.230E+012 -1.440 10829.2 RC2H3CH2OZ=C2H3CHOZ+R1H 1.150E+025 -4.240 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC2H3CH2OZ=C2H3CHOZ+R1H 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC2H3CH2OZ=C2H4Z+R5CHO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC2H3CH2OZ=C2H4Z+R5CHO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE ! R756C2H3OCH2Z vinoxyl-methyl decomposition !R756C2H3OCH2Z=R10C2H3V+HCHO 1.830E+034 -6.940 30690.4 !R756C2H3OCH2Z=R757CH2CH2CHO 4.480E+025 -5.200 21532.2 !R756C2H3OCH2Z=C2H3CHOZ+R1H 8.600E+034 -7.110 28209.1 !R756C2H3OCH2Z=C2H4Z+R5CHO 1.440E+036 -7.760 28007.8 ! R757CH2CH2CHO formyl-ethyl decomposition !R757CH2CH2CHO=R10C2H3V+HCHO 8.040E+035 -8.310 46919.7 !R757CH2CH2CHO=C2H3CHOZ+R1H 7.580E+031 -6.630 37895.4 !R757CH2CH2CHO=C2H4Z+R5CHO 1.010E+034 -6.700 30018.1 R10C2H3V+HCHO=C2H3CHOZ+R1H 1.750E+007 1.450 3428.0 PLOG/ 0.001 2.6e+004 2.26 1510.3/ PLOG/ 0.01 5.13e+004 2.17 1675.54/ PLOG/ 0.1 3.99e+005 1.91 2218.34/ PLOG/ 1 1.75e+007 1.45 3428.01/ PLOG/ 10 1.35e+009 0.933 5172.99/ PLOG/ 100 2.24e+011 0.357 8001.32/ PLOG/ 1000 6.01e+005 2.09 7895.57/ R10C2H3V+HCHO=R5CHO+C2H4Z 1.420E+010 0.209 3934.2 PLOG/ 0.001 1.11e+007 1.09 1807.2/ PLOG/ 0.01 2.47e+007 0.993 1994.94/ PLOG/ 0.1 2.47e+008 0.704 2596.2/ PLOG/ 1 1.42e+010 0.209 3934.18/ PLOG/ 10 3.45e+013 -0.726 6944.28/ PLOG/ 100 3.31e+014 -0.866 10965.7/ PLOG/ 1000 16.5 3.17 9399.76/ !----------------------------------------------------------- !------------- END R25C3H5Y + HO2 MECHANISM ----------------- !----------------------------------------------------------- !----------------------------------------------------------- !------------- BEGIN R1115C4H7Y + HO2 MECHANISM --------------- !----------------------------------------------------------- !R1115C4H7Y+R3OOH=>C4H7OOHZ-1 3.0E+0015 -0.800 0.0 ! CO 7931 CN R1115C4H7Y+R3OOH=C4H7OOHZ-1 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R1115C4H7Y+R3OOH=C4H7OOHZ-2 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R1115C4H7Y+R3OOH=C3H6COZ+H2O 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 R1115C4H7Y+R3OOH=C3H5CHOZ+H2O 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 R1115C4H7Y+R3OOH=RC3H6CHOZ+R2OH 3.885e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 3.885e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 R1115C4H7Y+R3OOH=RC3H5CH2OZ+R2OH 3.885e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 3.885e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 ! C4H7OOHZ-1 allyl-hydroperoxide decomposition C4H7OOHZ-1=C3H6COZ+H2O 1.500E+040 -8.840 53179.2 PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C4H7OOHZ-2=C3H5CHOZ+H2O 1.500E+040 -8.840 53179.2 PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C4H7OOHZ-1=RC3H6CHOZ+R2OH 3.360E+046 -9.810 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ C4H7OOHZ-2=RC3H5CH2OZ+R2OH 3.360E+046 -9.810 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ ! RC3H6CHOZ allyloxy decomposition RC3H6CHOZ=R10C2H3V+CH3CHO 1.070E+026 -4.560 24622.9 PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC3H6CHOZ=R10C2H3V+CH3CHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC3H6CHOZ=C3H6COZ+R1H 1.150E+025 -4.240 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC3H6CHOZ=C3H6COZ+R1H 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC3H6CHOZ=C2H4Z+R14CH3CO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC3H6CHOZ=C2H4Z+R14CH3CO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE !The following reaction is an analogy to i-C3H7O → CH3CHO + ·CH3 !Curran Int. J. Chem. Kinet., 38: 250–275. RC3H6CHOZ=R4CH3+C2H3CHOZ 5.33e+019 -1.70 17140.0 ! RC3H5CH2OZ allyloxy decomposition RC3H5CH2OZ=RC3H5V+HCHO 1.070E+026 -4.560 24622.9 PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC3H5CH2OZ=RC3H5V+HCHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC3H5CH2OZ=C3H5CHOZ+R1H 1.150E+025 -4.240 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC3H5CH2OZ=C3H5CHOZ+R1H 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC3H5CH2OZ=C3H6Y+R5CHO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC3H5CH2OZ=C3H6Y+R5CHO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE RC3H5V=>R4CH3+C2H2T 2.0E+0013 0.000 34500.0 ! DE 2171 CN RC3H5V+HCHO=C3H5CHOZ+R1H 1.750E+007 1.450 3428.0 PLOG/ 0.001 2.6e+004 2.26 1510.3/ PLOG/ 0.01 5.13e+004 2.17 1675.54/ PLOG/ 0.1 3.99e+005 1.91 2218.34/ PLOG/ 1 1.75e+007 1.45 3428.01/ PLOG/ 10 1.35e+009 0.933 5172.99/ PLOG/ 100 2.24e+011 0.357 8001.32/ PLOG/ 1000 6.01e+005 2.09 7895.57/ RC3H5V+HCHO=R5CHO+C3H6Y 1.420E+010 0.209 3934.2 PLOG/ 0.001 1.11e+007 1.09 1807.2/ PLOG/ 0.01 2.47e+007 0.993 1994.94/ PLOG/ 0.1 2.47e+008 0.704 2596.2/ PLOG/ 1 1.42e+010 0.209 3934.18/ PLOG/ 10 3.45e+013 -0.726 6944.28/ PLOG/ 100 3.31e+014 -0.866 10965.7/ PLOG/ 1000 16.5 3.17 9399.76/ !----------------------------------------------------------- !------------- END R1115C4H7Y + HO2 MECHANISM ----------------- !----------------------------------------------------------- !----------------------------------------------------------- !------------- BEGIN R1117C5H9X + HO2 MECHANISM --------------- !----------------------------------------------------------- C5H10Z=>R1H+R1117C5H9X 1.7E+0014 0.000 83437.2 ! UI 7 KB C5H10Z+O2=R3OOH+R1117C5H9X 1.4E+0012 0.000 34379.9 ! BI 10 CN C5H10Z+C5H10Z=>R59C5H11+R1117C5H9X 7.4E+0013 0.000 51300.0 ! BI 13 CN C5H10Z+C5H10Z=>R26C5H11+R1117C5H9X 3.8E+0014 0.000 54200.0 ! BI 14 CN !R1117C5H9X=>R4CH3+C4H6Z2 6.5E+0012 0.000 38200.0 ! DE 2156 CN !Exgas rule Already been accounted !R1117C5H9X=>R4CH3+C4H6Z2 1.3E+0013 0.000 38200.0 ! DE 2156 CN B1O+C5H10Z=>R2OH+R1117C5H9X 8.8E+0010 0.700 3250.0 ! ME 3118 CW C5H10Z+R1H=>H2+R1117C5H9X 3.376E+05 2.360 207.0 ! ME 3122 CN !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C5H10Z+R2OH=>H2O+R1117C5H9X 1.95E+0005 2.500 729.3 ! ME 3126 CN C5H10Z+R3OOH=>H2O2+R1117C5H9X 6.4E+0003 2.600 12400.0 ! ME 3130 CN C5H10Z+R4CH3=>CH4+R1117C5H9X 1.0E+0011 0.000 7300.0 ! ME 3134 CN C5H10Z+R5CHO=>HCHO+R1117C5H9X 1.1E+0009 1.300 15500.0 ! ME 3138 CN C5H10Z+R6CH2OH=>CH3OH+R1117C5H9X 3.6E+0001 2.950 10000.0 ! ME 3142 CN !C5H10Z+R7CH3O=>CH3OH+R1117C5H9X 1.8E+0012 0.000 1200.0 ! ME 3146 CN !K. Zhang et al. / Combustion and Flame 162 (2015) 4194–4207 C5H10Z+R7CH3O=>CH3OH+R1117C5H9X 4.000E+01 2.900 8609.0 ! ME 3146 CN C5H10Z+R8CH3OO=>CH3OOH+R1117C5H9X 1.0E+0012 0.000 14550.0 ! ME 3150 CN C5H10Z+R11C2H5=>C2H6+R1117C5H9X 1.5E+0000 3.500 4140.0 ! ME 3154 CN C5H10Z+R245C3H7=>C3H8+R1117C5H9X 4.4E-0002 4.000 7360.0 ! ME 3186 CN !C5H10Z+R734C4H9=>C4H10+R1117C5H9X 2.0E-0005 4.900 6120.0 ! ME 3190 CN !no such .c(/ch3)3 radical R1H+R1117C5H9X=>C5H10Z 8.2E+0012 0.000 0.0 ! CO 3193 KB !Start of + HO2 MECHANISM R1117C5H9X+R3OOH=C5H9OOHZ-1 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R1117C5H9X+R3OOH=C5H9OOHZ-2 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R1117C5H9X+R3OOH=C4H8COZ+H2O 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 R1117C5H9X+R3OOH=C4H7CHOZ+H2O 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 R1117C5H9X+R3OOH=RC4H8CHOZ+R2OH 3.885e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 3.885e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 R1117C5H9X+R3OOH=RC4H7CH2OZ+R2OH 3.885e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 3.885e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 ! C5H9OOHZ-1 allyl-hydroperoxide decomposition C5H9OOHZ-1=C4H8COZ+H2O 1.500E+040 -8.840 53179.2 PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C5H9OOHZ-2=C4H7CHOZ+H2O 1.500E+040 -8.840 53179.2 PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C5H9OOHZ-1=RC4H8CHOZ+R2OH 3.360E+046 -9.810 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ C5H9OOHZ-2=RC4H7CH2OZ+R2OH 3.360E+046 -9.810 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ ! RC4H8CHOZ allyloxy decomposition RC4H8CHOZ=R10C2H3V+C2H5CHO 1.070E+026 -4.560 24622.9 PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC4H8CHOZ=R10C2H3V+C2H5CHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC4H8CHOZ=C4H8COZ+R1H 1.150E+025 -4.240 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC4H8CHOZ=C4H8COZ+R1H 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC4H8CHOZ=C2H4Z+R1781C2H5CO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC4H8CHOZ=C2H4Z+R1781C2H5CO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE !The following reaction is an analogy to i-C3H7O → CH3CHO + ·CH3 !Curran Int. J. Chem. Kinet., 38: 250–275. RC4H8CHOZ=R11C2H5+C2H3CHOZ 5.33e+019 -1.70 17140.0 ! RC4H7CH2OZ allyloxy decomposition RC4H7CH2OZ=R56C4H7V+HCHO 1.070E+026 -4.560 24622.9 PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC4H7CH2OZ=R56C4H7V+HCHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC4H7CH2OZ=C4H7CHOZ+R1H 1.150E+025 -4.240 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC4H7CH2OZ=C4H7CHOZ+R1H 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC4H7CH2OZ=C4H8Y+R5CHO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC4H7CH2OZ=C4H8Y+R5CHO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE R56C4H7V+HCHO=C4H7CHOZ+R1H 1.750E+007 1.450 3428.0 PLOG/ 0.001 2.6e+004 2.26 1510.3/ PLOG/ 0.01 5.13e+004 2.17 1675.54/ PLOG/ 0.1 3.99e+005 1.91 2218.34/ PLOG/ 1 1.75e+007 1.45 3428.01/ PLOG/ 10 1.35e+009 0.933 5172.99/ PLOG/ 100 2.24e+011 0.357 8001.32/ PLOG/ 1000 6.01e+005 2.09 7895.57/ R56C4H7V+HCHO=R5CHO+C4H8Y 1.420E+010 0.209 3934.2 PLOG/ 0.001 1.11e+007 1.09 1807.2/ PLOG/ 0.01 2.47e+007 0.993 1994.94/ PLOG/ 0.1 2.47e+008 0.704 2596.2/ PLOG/ 1 1.42e+010 0.209 3934.18/ PLOG/ 10 3.45e+013 -0.726 6944.28/ PLOG/ 100 3.31e+014 -0.866 10965.7/ PLOG/ 1000 16.5 3.17 9399.76/ !----------------------------------------------------------- !------------- END R1117C5H9X + HO2 MECHANISM ----------------- !----------------------------------------------------------- !----------------------------------------------------------- !------------- BEGIN R49C6H11X + HO2 MECHANISM ----------------- !----------------------------------------------------------- R3OOH+R49C6H11X=C6H11OOHZ-1 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R3OOH+R49C6H11X=C6H11OOHZ-2 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R3OOH+R49C6H11X=H2O+C5H10COZ 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 R3OOH+R49C6H11X=H2O+C5H9CHOZ 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 !The following is commented coz they promote the reactivity too much !also the possibilty of them for large alkenes is ? R3OOH+R49C6H11X=R2OH+RC5H10CHOZ 3.885e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 3.885e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 R3OOH+R49C6H11X=R2OH+RC5H9CH2OZ 3.885e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 3.885e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 C6H11OOHZ-1=H2O+C5H10COZ 1.5e+040 -8.84 53179.2 !Rate >1000 times low than others PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C6H11OOHZ-2=H2O+C5H9CHOZ 1.5e+040 -8.84 53179.2 !Rate >1000 times low than others PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C6H11OOHZ-1=R2OH+RC5H10CHOZ 3.36e+046 -9.81 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ C6H11OOHZ-2=R2OH+RC5H9CH2OZ 3.36e+046 -9.81 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ RC5H10CHOZ=R1H+C5H10COZ 1.15e+025 -4.24 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC5H10CHOZ=R1H+C5H10COZ 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC5H10CHOZ=R10C2H3V+C3H7CHO 1.07e+026 -4.56 24622.9 !low than others PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC5H10CHOZ=R10C2H3V+C3H7CHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC5H10CHOZ=C2H4Z+R1148C3H7CO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC5H10CHOZ=C2H4Z+R1148C3H7CO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE RC5H9CH2OZ=R1H+C5H9CHOZ 1.15e+025 -4.24 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC5H9CH2OZ=R1H+C5H9CHOZ 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC5H9CH2OZ=R54C5H9V+HCHO 1.07e+026 -4.56 24622.9 !low than others PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC5H9CH2OZ=R54C5H9V+HCHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC5H9CH2OZ=C5H10Z+R5CHO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC5H9CH2OZ=C5H10Z+R5CHO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE R54C5H9V+HCHO=C5H9CHOZ+R1H 1.750E+007 1.450 3428.0 PLOG/ 0.001 2.6e+004 2.26 1510.3/ PLOG/ 0.01 5.13e+004 2.17 1675.54/ PLOG/ 0.1 3.99e+005 1.91 2218.34/ PLOG/ 1 1.75e+007 1.45 3428.01/ PLOG/ 10 1.35e+009 0.933 5172.99/ PLOG/ 100 2.24e+011 0.357 8001.32/ PLOG/ 1000 6.01e+005 2.09 7895.57/ R54C5H9V+HCHO=R5CHO+C5H10Z 1.420E+010 0.209 3934.2 PLOG/ 0.001 1.11e+007 1.09 1807.2/ PLOG/ 0.01 2.47e+007 0.993 1994.94/ PLOG/ 0.1 2.47e+008 0.704 2596.2/ PLOG/ 1 1.42e+010 0.209 3934.18/ PLOG/ 10 3.45e+013 -0.726 6944.28/ PLOG/ 100 3.31e+014 -0.866 10965.7/ PLOG/ 1000 16.5 3.17 9399.76/ !The following reaction is an analogy to i-C3H7O → CH3CHO + ·CH3 !Curran Int. J. Chem. Kinet., 38: 250–275. RC5H10CHOZ=R19C3H7+C2H3CHOZ 5.33e+019 -1.70 17140.0 !----------------------------------------------------------- !------------- END R49C6H11X + HO2 MECHANISM ----------------- !----------------------------------------------------------- !----------------------------------------------------------- !------------- BEGIN R45C7H13X + HO2 MECHANISM ----------------- !----------------------------------------------------------- C7H14Z=>R1H+R45C7H13X 1.8E+0014 0.000 83436.8 ! UI 7 KB C7H14Z+O2=R3OOH+R45C7H13X 1.4E+0012 0.000 34382.2 ! BI 10 CN C7H14Z+C7H14Z=>R89C7H15+R45C7H13X 7.4E+0013 0.000 51300.0 ! BI 13 CN C7H14Z+C7H14Z=>R38C7H15+R45C7H13X 3.8E+0014 0.000 54200.0 ! BI 14 CN B1O+C7H14Z=>R2OH+R45C7H13X 8.8E+0010 0.700 3250.0 ! ME 3118 CW C7H14Z+R1H=>H2+R45C7H13X 3.376E+05 2.360 207.0 ! ME 3122 CN !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C7H14Z+R2OH=>H2O+R45C7H13X 1.95E+0005 2.500 729.3 ! ME 3126 CN C7H14Z+R3OOH=>H2O2+R45C7H13X 6.4E+0003 2.600 12400.0 ! ME 3130 CN C7H14Z+R4CH3=>CH4+R45C7H13X 1.0E+0011 0.000 7300.0 ! ME 3134 CN C7H14Z+R5CHO=>HCHO+R45C7H13X 1.1E+0009 1.300 15500.0 ! ME 3138 CN C7H14Z+R6CH2OH=>CH3OH+R45C7H13X 3.6E+0001 2.950 10000.0 ! ME 3142 CN !C7H14Z+R7CH3O=>CH3OH+R45C7H13X 1.8E+0012 0.000 1200.0 ! ME 3146 CN !K. Zhang et al. / Combustion and Flame 162 (2015) 4194–4207 C7H14Z+R7CH3O=>CH3OH+R45C7H13X 4.000E+01 2.900 8609.0 ! ME 3146 CN C7H14Z+R8CH3OO=>CH3OOH+R45C7H13X 1.0E+0012 0.000 14550.0 ! ME 3150 CN C7H14Z+R11C2H5=>C2H6+R45C7H13X 1.5E+0000 3.500 4140.0 ! ME 3154 CN C7H14Z+R245C3H7=>C3H8+R45C7H13X 4.4E-0002 4.000 7360.0 ! ME 3186 CN !C7H14Z+R734C4H9=>C4H10+R45C7H13X 2.0E-0005 4.900 6120.0 ! ME 3190 CN !no such .c(/ch3)3 radical R1H+R45C7H13X=>C7H14Z 8.2E+0012 0.000 0.0 ! CO 3193 KB !!!!HO2+R45C7H13X R3OOH+R45C7H13X=C7H13OOHZ-1 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R3OOH+R45C7H13X=C7H13OOHZ-2 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R3OOH+R45C7H13X=H2O+C6H12COZ 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 R3OOH+R45C7H13X=H2O+C6H11CHOZ 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 !The following is commented coz they promote the reactivity too much !also the possibilty of them for large alkenes is ? R3OOH+R45C7H13X=R2OH+RC6H12CHOZ 3.885e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 3.885e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 R3OOH+R45C7H13X=R2OH+RC6H11CH2OZ 3.885e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 3.885e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 C7H13OOHZ-1=H2O+C6H12COZ 1.5e+040 -8.84 53179.2 !Rate >1000 times low than others PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C7H13OOHZ-2=H2O+C6H11CHOZ 1.5e+040 -8.84 53179.2 !Rate >1000 times low than others PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C7H13OOHZ-1=R2OH+RC6H12CHOZ 3.36e+046 -9.81 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ C7H13OOHZ-2=R2OH+RC6H11CH2OZ 3.36e+046 -9.81 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ RC6H12CHOZ=R1H+C6H12COZ 1.15e+025 -4.24 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC6H12CHOZ=R1H+C6H12COZ 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC6H12CHOZ=R10C2H3V+C4H9CHO 1.07e+026 -4.56 24622.9 !low than others PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC6H12CHOZ=R10C2H3V+C4H9CHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC6H12CHOZ=C2H4Z+R1152C4H9CO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC6H12CHOZ=C2H4Z+R1152C4H9CO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE RC6H11CH2OZ=R1H+C6H11CHOZ 1.15e+025 -4.24 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC6H11CH2OZ=R1H+C6H11CHOZ 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC6H11CH2OZ=R51C6H11V+HCHO 1.07e+026 -4.56 24622.9 !low than others PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC6H11CH2OZ=R51C6H11V+HCHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC6H11CH2OZ=C6H12Z+R5CHO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC6H11CH2OZ=C6H12Z+R5CHO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE R51C6H11V+HCHO=C6H11CHOZ+R1H 1.750E+007 1.450 3428.0 PLOG/ 0.001 2.6e+004 2.26 1510.3/ PLOG/ 0.01 5.13e+004 2.17 1675.54/ PLOG/ 0.1 3.99e+005 1.91 2218.34/ PLOG/ 1 1.75e+007 1.45 3428.01/ PLOG/ 10 1.35e+009 0.933 5172.99/ PLOG/ 100 2.24e+011 0.357 8001.32/ PLOG/ 1000 6.01e+005 2.09 7895.57/ R51C6H11V+HCHO=R5CHO+C6H12Z 1.420E+010 0.209 3934.2 PLOG/ 0.001 1.11e+007 1.09 1807.2/ PLOG/ 0.01 2.47e+007 0.993 1994.94/ PLOG/ 0.1 2.47e+008 0.704 2596.2/ PLOG/ 1 1.42e+010 0.209 3934.18/ PLOG/ 10 3.45e+013 -0.726 6944.28/ PLOG/ 100 3.31e+014 -0.866 10965.7/ PLOG/ 1000 16.5 3.17 9399.76/ !The following reaction is an analogy to i-C3H7O → CH3CHO + ·CH3 !Curran Int. J. Chem. Kinet., 38: 250–275. RC6H12CHOZ=R20C4H9+C2H3CHOZ 5.33e+019 -1.70 17140.0 !----------------------------------------------------------- !------------- END R45C7H13X + HO2 MECHANISM ----------------- !----------------------------------------------------------- !----------------------------------------------------------- !------------- BEGIN R27C8H15X + HO2 MECHANISM ----------------- !----------------------------------------------------------- !R3OOH+R27C8H15X=>C8H15OOHZ 3.0E+0015 -0.800 0.0 ! CO 7914 CN R3OOH+R27C8H15X=C8H15OOHZ-1 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R3OOH+R27C8H15X=C8H15OOHZ-2 0.515e+045 -10.6 7851.49 ! CO 3199 CN !1.03e+045/2 PLOG/ 0.01 0.955e+031 -7.23 1336.16/ !1.91e+031/2 PLOG/ 0.1 3.155e+042 -10.3 5568.88/ !6.31e+042/2 PLOG/ 1 0.515e+045 -10.6 7851.49/ !1.03e+045/2 PLOG/ 10 1.395e+037 -7.92 6497.86/ !2.79e+037/2 PLOG/ 100 2.365e+025 -4.13 2923.78/ !4.73e+025/2 R3OOH+R27C8H15X=H2O+C7H14COZ 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 R3OOH+R27C8H15X=H2O+C7H13CHOZ 3.025e+005 1.39 595.059 !Rate >10 times low than others !6.05e+005/2 PLOG/ 0.01 0.545 3.01 -3421.08/ !1.09/2 PLOG/ 0.1 31.75 2.5 -2341.44/ !63.5/2 PLOG/ 1 3.025e+005 1.39 595.059/ !6.05e+005/2 PLOG/ 10 1.55e+005 1.59 2677.55/ !3.1e+005/2 PLOG/ 100 2.535e-005 4.59 927.501/ !5.07e-005 !The following is one forth the rate of propene; half the rate of 1-hexene !To reduce its bad effect on equivalence ratio. R3OOH+R27C8H15X=R2OH+RC7H14CHOZ 1.943e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 1.943e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 R3OOH+R27C8H15X=R2OH+RC7H13CH2OZ 1.943e+017 -1.52 2379.2 !7.77e+017/2 PLOG/ 0.01 0.51e+013 -0.158 -1417.01/ !1.02e+013/2 PLOG/ 0.1 2.49e+014 -0.642 -349.128/ !4.98e+014/2 PLOG/ 1 1.943e+017 -1.52 2379.2/ !7.77e+017/2 PLOG/ 10 1.465e+015 -0.684 3615.32/ !2.93e+015/2 PLOG/ 100 0.82e+004 2.74 1144.38/ !1.64e+004/2 C8H15OOHZ-1=H2O+C7H14COZ 1.5e+040 -8.84 53179.2 !Rate >1000 times low than others PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C8H15OOHZ-2=H2O+C7H13CHOZ 1.5e+040 -8.84 53179.2 !Rate >1000 times low than others PLOG/ 0.01 1.99e+050 -12.7 53531.9/ PLOG/ 0.1 4.72e+047 -11.5 54360.9/ PLOG/ 1 1.5e+040 -8.84 53179.2/ PLOG/ 10 2.54e+028 -5 49919.4/ PLOG/ 100 1.48e+016 -1.12 45949.3/ C8H15OOHZ-1=R2OH+RC7H14CHOZ 3.36e+046 -9.81 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ C8H15OOHZ-2=R2OH+RC7H13CH2OZ 3.36e+046 -9.81 52468.5 PLOG/ 0.01 1.49e+058 -13.9 54266.9/ PLOG/ 0.1 1.8e+054 -12.4 54193.8/ PLOG/ 1 3.36e+046 -9.81 52468.5/ PLOG/ 10 2.39e+036 -6.54 49429/ PLOG/ 100 1.28e+027 -3.61 46333.1/ RC7H14CHOZ=R1H+C7H14COZ 1.15e+025 -4.24 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC7H14CHOZ=R1H+C7H14COZ 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC7H14CHOZ=R10C2H3V+C5H11CHO 1.07e+026 -4.56 24622.9 !low than others PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC7H14CHOZ=R10C2H3V+C5H11CHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC7H14CHOZ=C2H4Z+RCOC5H11 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC7H14CHOZ=C2H4Z+RCOC5H11 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE RC7H13CH2OZ=R1H+C7H13CHOZ 1.15e+025 -4.24 20311.2 PLOG/ 0.001 3e+015 -2.31 14667.9/ PLOG/ 0.01 1.5e+022 -3.96 18283/ PLOG/ 0.1 1.95e+023 -3.99 19143.3/ PLOG/ 1 1.15e+025 -4.24 20311.2/ PLOG/ 10 1.76e+028 -4.89 22765.2/ PLOG/ 100 1.41e+027 -4.28 23770.6/ PLOG/ 1000 2.57e+020 -2.06 22040.1/ DUPLICATE RC7H13CH2OZ=R1H+C7H13CHOZ 8.600E+034 -7.110 28209.1 PLOG/ 0.001 4.93e+024 -5.05 20108.4/ PLOG/ 0.01 2.14e+028 -5.8 22219.4/ PLOG/ 0.1 1.93e+032 -6.64 25108.2/ PLOG/ 1 8.6e+034 -7.11 28209.1/ PLOG/ 10 2.17e+034 -6.64 30647.6/ PLOG/ 100 4.17e+028 -4.71 31231.9/ PLOG/ 1000 3.98e+018 -1.62 30129.8/ DUPLICATE RC7H13CH2OZ=R47C7H13V+HCHO 1.07e+026 -4.56 24622.9 !low than others PLOG/ 0.001 7.26e+006 0.182 17815.5/ PLOG/ 0.01 6.97e+016 -2.5 20878.7/ PLOG/ 0.1 6.64e+023 -4.23 23565/ PLOG/ 1 1.07e+026 -4.56 24622.9/ PLOG/ 10 6.5e+029 -5.37 26645/ PLOG/ 100 4.63e+031 -5.59 28915.3/ PLOG/ 1000 8.52e+025 -3.61 27863.4/ DUPLICATE RC7H13CH2OZ=R47C7H13V+HCHO 1.830E+034 -6.940 30690.4 PLOG/ 0.001 3.3e+009 -0.638 19747.8/ PLOG/ 0.01 3.36e+021 -3.9 23945.2/ PLOG/ 0.1 2.91e+029 -5.9 27249.7/ PLOG/ 1 1.83e+034 -6.94 30690.4/ PLOG/ 10 9.72e+033 -6.5 33002.5/ PLOG/ 100 2.68e+027 -4.26 33305.6/ PLOG/ 1000 8.81e+014 -0.326 31553.1/ DUPLICATE RC7H13CH2OZ=C7H14Z+R5CHO 1.070E+024 -4.160 18985.0 PLOG/ 0.001 6.62e+016 -2.84 13197/ PLOG/ 0.01 1.26e+020 -3.53 15469.2/ PLOG/ 0.1 2.13e+021 -3.64 16584.5/ PLOG/ 1 1.07e+024 -4.16 18985/ PLOG/ 10 8.42e+025 -4.4 22382.6/ PLOG/ 100 1.86e+021 -2.73 23658.8/ PLOG/ 1000 4.75e+008 1.14 20922.5/ DUPLICATE RC7H13CH2OZ=C7H14Z+R5CHO 1.440E+036 -7.760 28007.8 PLOG/ 0.001 8.23e+026 -5.84 19356.9/ PLOG/ 0.01 1.32e+029 -6.21 21293.6/ PLOG/ 0.1 3.47e+032 -6.96 24197.3/ PLOG/ 1 1.44e+036 -7.76 28007.8/ PLOG/ 10 9.72e+037 -8.02 32394.6/ PLOG/ 100 2.43e+031 -5.81 34295.8/ PLOG/ 1000 3.73e+014 -0.726 32008.3/ DUPLICATE R47C7H13V+HCHO=C7H13CHOZ+R1H 1.750E+007 1.450 3428.0 PLOG/ 0.001 2.6e+004 2.26 1510.3/ PLOG/ 0.01 5.13e+004 2.17 1675.54/ PLOG/ 0.1 3.99e+005 1.91 2218.34/ PLOG/ 1 1.75e+007 1.45 3428.01/ PLOG/ 10 1.35e+009 0.933 5172.99/ PLOG/ 100 2.24e+011 0.357 8001.32/ PLOG/ 1000 6.01e+005 2.09 7895.57/ R47C7H13V+HCHO=R5CHO+C7H14Z 1.420E+010 0.209 3934.2 PLOG/ 0.001 1.11e+007 1.09 1807.2/ PLOG/ 0.01 2.47e+007 0.993 1994.94/ PLOG/ 0.1 2.47e+008 0.704 2596.2/ PLOG/ 1 1.42e+010 0.209 3934.18/ PLOG/ 10 3.45e+013 -0.726 6944.28/ PLOG/ 100 3.31e+014 -0.866 10965.7/ PLOG/ 1000 16.5 3.17 9399.76/ !The following reaction is an analogy to i-C3H7O → CH3CHO + ·CH3 !Curran Int. J. Chem. Kinet., 38: 250–275. RC7H14CHOZ=R26C5H11+C2H3CHOZ 5.33e+019 -1.70 17140.0 !----------------------------------------------------------- !------------- END R27C8H15X + HO2 MECHANISM ----------------- !----------------------------------------------------------- ! dismutations : R41C3H7OO+R3OOH=>C3H7OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7933 CN R42C4H9OO+R3OOH=>C4H9OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7934 CN R43C7H13OOZ+R3OOH=>C7H13OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7935 CN R48C6H11OOZ+R3OOH=>C6H11OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7936 CN R52C5H9OOZ+R3OOH=>C5H9OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7937 CN R55C4H7OOZ+R3OOH=>C4H7OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7938 CN R57C3H5OOZ+R3OOH=>C3H5OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7939 CN R58C5H11OO+R3OOH=>C5H11OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7940 CN R60C8H15OOZ+R3OOH=>C8H15OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7941 CN R61C8H15OOZ+R3OOH=>C8H15OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 7942 CN R62C6H13OO+R3OOH=>C6H13OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7943 CN R65C8H15OOZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7944 CN R67C8H15OOZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7945 CN R69C8H15OOZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7946 CN R70C8H15OOZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7947 CN R71C8H15OOZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7948 CN R72C8H17OO+R3OOH=>C8H17OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7949 CN R75C8H17OO+R3OOH=>C8H17OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7950 CN R76C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7951 CN R81C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7952 CN R86C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7953 CN R90C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7954 CN R94C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7955 CN R108C7H13OOZ+R3OOH=>C7H13OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7956 CN R109C7H13OOZ+R3OOH=>C7H13OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7957 CN R110C7H13OOZ+R3OOH=>C7H13OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 7958 CN R117C6H11OOZ+R3OOH=>C6H11OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7959 CN R118C6H11OOZ+R3OOH=>C6H11OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 7960 CN R135C5H11OO+R3OOH=>C5H11OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7961 CN R136C8H14OOHV+R3OOH=>C8H15OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7962 CN R137C8H14OOHV+R3OOH=>C8H15OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7963 CN R138C8H14OOHZ+R3OOH=>C8H15OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7964 CN R139C8H14OOHZ+R3OOH=>C8H15OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7965 CN R140C8H14OOHZ+R3OOH=>C8H15OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7966 CN R141C8H14OOHZ+R3OOH=>C8H15OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 7967 CN R142C8H14OOHV+R3OOH=>C8H15OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 7968 CN R143C8H14OOHV+R3OOH=>C8H15OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 7969 CN R148C6H13OO+R3OOH=>C6H13OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7970 CN R149C6H13OO+R3OOH=>C6H13OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 7971 CN R150C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7972 CN R151C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7973 CN R152C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7974 CN R153C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7975 CN R155C8H14OOHX+R3OOH=>C8H15OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 7976 CN R156C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7977 CN R157C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7978 CN R158C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7979 CN R159C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7980 CN R160C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7981 CN R161C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7982 CN R162C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7983 CN R163C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7984 CN R164C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7985 CN R165C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7986 CN R166C8H14OOHX+R3OOH=>C8H15OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 7987 CN R167C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7988 CN R168C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7989 CN R169C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7990 CN R170C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7991 CN R171C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7992 CN R172C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7993 CN R173C8H14OOHX+R3OOH=>C8H15OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 7994 CN R174C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7995 CN R175C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7996 CN R176C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7997 CN R177C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7998 CN R178C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 7999 CN R179C8H14OOHX+R3OOH=>C8H15OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8000 CN R185C8H17OO+R3OOH=>C8H17OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8001 CN R186C8H17OO+R3OOH=>C8H17OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8002 CN R196C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8003 CN R199C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8004 CN R202C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8005 CN R205C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8006 CN R211C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8007 CN R213C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8008 CN R216C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8009 CN R219C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8010 CN R225C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8011 CN R226C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8012 CN R227C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8013 CN R234C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8014 CN R235C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8015 CN R237C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8016 CN R243C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8017 CN R246C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8018 CN R249C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8019 CN R252C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8020 CN R282C7H13OOZ+R3OOH=>C7H13OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8021 CN R283C7H13OOZ+R3OOH=>C7H13OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8022 CN R297C6H11OOZ+R3OOH=>C6H11OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8023 CN R298C6H11OOZ+R3OOH=>C6H11OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8024 CN R303C5H9OOZ+R3OOH=>C5H9OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8025 CN R316C8H14OOHZ+R3OOH=>C8H15OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 8026 CN R323C8H14OOHX+R3OOH=>C8H15OOHZ-1+O2 2.5E+0010 1.000 3460.0 ! DI 8027 CN R327C8H14OOHZ+R3OOH=>C8H15OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 8028 CN R328C8H14OOHZ+R3OOH=>C8H15OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 8029 CN R329C8H14OOHZ+R3OOH=>C8H15OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 8030 CN R330C8H14OOHZ+R3OOH=>C8H15OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 8031 CN R348C8H14OOHX+R3OOH=>C8H15OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8032 CN R349C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8033 CN R350C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8034 CN R353C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8035 CN R355C6H13COOO+R3OOH=>C6H13COOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8036 CN R363C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8037 CN R373C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8038 CN R380C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8039 CN R387C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8040 CN R392C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8041 CN R394C8H14OOHV+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8042 CN R397C8H14OOHZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8043 CN R448C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8044 CN R449C3H6OHOO+R3OOH=>C3H6OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8045 CN R456C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8046 CN R457C4H8OHOO+R3OOH=>C4H8OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8047 CN R464C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8048 CN R465C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8049 CN R472C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8050 CN R492C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8051 CN R501C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8052 CN R502C3H6OHOO+R3OOH=>C3H6OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8053 CN R509C8H16OHOO+R3OOH=>C8H16OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8054 CN R510C4H8OHOO+R3OOH=>C4H8OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8055 CN R517C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8056 CN R562C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8057 CN R584C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8058 CN R586C3H7OO+R3OOH=>C3H7OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8059 CN R594C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8060 CN R595C4H9OO+R3OOH=>C4H9OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8061 CN R602C9H19OO+R3OOH=>C9H19OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8062 CN R603C5H11OO+R3OOH=>C5H11OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8063 CN R610C6H13OO+R3OOH=>C6H13OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8064 CN R668C6H12CHOOO+R3OOH=>C6H12CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8065 CN R679C4H7OOZ+R3OOH=>C4H7OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 8066 CN R682C5H9OOZ+R3OOH=>C5H9OOHZ-1+O2 2.0E+0011 0.000 -1300.0 ! DI 8067 CN R688C8H14OOHX+R3OOH=>C8H15OOHZ-2+O2 2.5E+0010 1.000 3460.0 ! DI 8068 CN R712C6H12CHOOO+R3OOH=>C6H12CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8069 CN R713C6H12CHOOO+R3OOH=>C6H12CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8070 CN R716C6H12CHOOO+R3OOH=>C6H12CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8071 CN R719C6H12CHOOO+R3OOH=>C6H12CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8072 CN R722C6H12CHOOO+R3OOH=>C6H12CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8073 CN R740C4H9OO+R3OOH=>C4H9OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8074 CN R742C5H11OO+R3OOH=>C5H11OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8075 CN R782C3H6OHOO+R3OOH=>C3H6OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8076 CN R784C4H8OHOO+R3OOH=>C4H8OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8077 CN R820C4H8OHOO+R3OOH=>C4H8OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8078 CN R840C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8079 CN R841C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8080 CN R855C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8081 CN R856C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8082 CN R858C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8083 CN R883C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8084 CN R921C4H8OHOO+R3OOH=>C4H8OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8085 CN R934C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8086 CN R935C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8087 CN R1015C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8088 CN R1053C5H11OO+R3OOH=>C5H11OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8089 CN R1066C6H13OO+R3OOH=>C6H13OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8090 CN R1067C6H13OO+R3OOH=>C6H13OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8091 CN R1120C8H15OOZ+R3OOH=>C8H15OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8092 CN R1141C2H4CHOOO+R3OOH=>C2H4CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8093 CN R1147C3H6CHOOO+R3OOH=>C3H6CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8094 CN R1150C4H8CHOOO+R3OOH=>C4H8CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8095 CN R1197C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8096 CN R1257C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8097 CN R1277C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8098 CN R1290C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8099 CN R1294C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8100 CN R1310C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8101 CN R1311C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8102 CN R1313C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8103 CN R1318C6H12OHOO+R3OOH=>C6H12OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8104 CN R1400C6H13OO+R3OOH=>C6H13OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8105 CN R1404C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8106 CN R1420C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8107 CN R1421C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8108 CN R1423C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8109 CN R1428C7H15OO+R3OOH=>C7H15OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8110 CN R1478C7H13OOZ+R3OOH=>C7H13OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8111 CN R1487C2H4CHOOO+R3OOH=>C2H4CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8112 CN R1489C3H6CHOOO+R3OOH=>C3H6CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8113 CN R1493C4H8CHOOO+R3OOH=>C4H8CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8114 CN R1495C4H7OOZ+R3OOH=>C4H7OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 8115 CN R1497C5H9OOZ+R3OOH=>C5H9OOHZ-2+O2 2.0E+0011 0.000 -1300.0 ! DI 8116 CN R1512C2H5COOO+R3OOH=>C2H5COOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8117 CN R1527C3H7COOO+R3OOH=>C3H7COOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8118 CN R1533C4H9COOO+R3OOH=>C4H9COOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8119 CN R1539C3H6CHOOO+R3OOH=>C3H6CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8120 CN R1542C4H8CHOOO+R3OOH=>C4H8CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8121 CN R1547C4H8CHOOO+R3OOH=>C4H8CHOOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8122 CN R1571C3H6OHOO+R3OOH=>C3H6OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8123 CN R1577C4H8OHOO+R3OOH=>C4H8OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8124 CN R1580C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8125 CN R1661C3H6OHOO+R3OOH=>C3H6OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8126 CN R1663C4H8OHOO+R3OOH=>C4H8OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8127 CN R1670C4H8OHOO+R3OOH=>C4H8OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8128 CN R1673C5H10OHOO+R3OOH=>C5H10OHOOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8129 CN R1732C4H9OO+R3OOH=>C4H9OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8130 CN R1734C5H11OO+R3OOH=>C5H11OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8131 CN R1741C5H11OO+R3OOH=>C5H11OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8132 CN R1744C6H13OO+R3OOH=>C6H13OOH+O2 2.0E+0011 0.000 -1300.0 ! DI 8133 CN R1770C5H9OOZ+R3OOH=>C5H9OOHZ+O2 2.0E+0011 0.000 -1300.0 ! DI 8134 CN !R25C3H5Y+R3OOH=>C3H6Y+O2 2.5E+0010 1.000 3460.0 ! DI 8135 CN !Baulch et al. Journal of Physical and Chemical Reference Data 23, 847 (1994) C3H6Y+O2<=>R25C3H5Y+R3OOH 1.930E+012 0.000 39100.0 ! DI 8135 CN !R45C7H13X+R3OOH=>C7H14Z+O2 2.5E+0010 1.000 3460.0 ! DI 8136 CN R49C6H11X+R3OOH=>C6H12Z+O2 2.5E+0010 1.000 3460.0 ! DI 8137 CN R107C7H12OOHX+R3OOH=>C7H13OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8138 CN R115C6H10OOHX+R3OOH=>C6H11OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8139 CN R122C5H8OOHX+R3OOH=>C5H9OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8140 CN R126C4H6OOHX+R3OOH=>C4H7OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8141 CN R268C7H12OOHX+R3OOH=>C7H13OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8142 CN R321C3H4OOHX+R3OOH=>C3H5OOHZ-1+O2 2.5E+0010 1.000 3460.0 ! DI 8143 CN R624C7H12OOHX+R3OOH=>C7H13OOHZ-1+O2 2.5E+0010 1.000 3460.0 ! DI 8144 CN R632C7H12OOHX+R3OOH=>C7H13OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8145 CN R637C7H12OOHX+R3OOH=>C7H13OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8146 CN R644C6H10OOHX+R3OOH=>C6H11OOHZ-1+O2 2.5E+0010 1.000 3460.0 ! DI 8147 CN R648C6H10OOHX+R3OOH=>C6H11OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8148 CN R652C6H10OOHX+R3OOH=>C6H11OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8149 CN R656C5H8OOHX+R3OOH=>C5H9OOHZ+O2 2.5E+0010 1.000 3460.0 ! DI 8150 CN R1075C7H12OOHX+R3OOH=>C7H13OOHZ-2+O2 2.5E+0010 1.000 3460.0 ! DI 8151 CN !R1115C4H7Y+R3OOH=>C4H8Y+O2 2.5E+0010 1.000 3460.0 ! DI 8152 CN !Baulch et al. Journal of Physical and Chemical Reference Data 23, 847 (1994) C4H8Y+O2<=>R1115C4H7Y+R3OOH 1.930E+012 0.000 39100.0 ! DI 8152 CN !R1117C5H9X+R3OOH=>C5H10Z+O2 2.5E+0010 1.000 3460.0 ! DI 8153 CN R1498C5H9Y+R3OOH=>C5H10Y+O2 2.5E+0010 1.000 3460.0 ! DI 8154 CN ! ------------------- ! SECONDARY MECHANISM ! ------------------- ! Peroxide decomposition C9H18OOZ=>R7CH3O+C2H3CHOZ+R4CH3+2C2H4Z 4.00E+15 0.0 42900.0 ! DOO 7334 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ ! Hydroperoxide decomposition C8H15OOHZ=>R2OH+CH3CHO+2C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7335 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H5OOHZ=>R2OH+HCHO+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7336 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H7OOHZ=>R2OH+CH3CHO+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7337 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H9OOHZ=>R2OH+HCHO+C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7338 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C6H11OOHZ=>R2OH+CH3CHO+C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7339 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H13OOHZ=>R2OH+HCHO+2C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7340 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H7OOHY=>R2OH+CH3CHO+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7341 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H5OOHY=>R2OH+HCHO+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7342 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H9OOHY=>R2OH+HCHO+C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7343 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H7OOH=>R2OH+HCHO+R11C2H5 4.00E+15 0.0 42900.0 ! DKH 7344 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H9OOH=>R2OH+CH3CHO+R11C2H5 4.00E+15 0.0 42900.0 ! DKH 7345 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H11OOH=>R2OH+HCHO+C2H4Z+R11C2H5 4.00E+15 0.0 42900.0 ! DKH 7346 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C6H13OOH=>R2OH+CH3CHO+C2H4Z+R11C2H5 4.00E+15 0.0 42900.0 ! DKH 7347 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8H17OOH=>R2OH+CH3CHO+2C2H4Z+R11C2H5 4.00E+15 0.0 42900.0 ! DKH 7348 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H15OOH=>R2OH+HCHO+2C2H4Z+R11C2H5 4.00E+15 0.0 42900.0 ! DKH 7349 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C9H19OOH=>R2OH+HCHO+3C2H4Z+R11C2H5 4.00E+15 0.0 42900.0 ! DKH 7350 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H13OOHY=>R2OH+HCHO+2C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7351 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C6H11OOHY=>R2OH+CH3CHO+C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7352 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C9H17OOHY=>R2OH+HCHO+3C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7353 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8H15OOHY=>R2OH+CH3CHO+2C2H4Z+R10C2H3V 4.00E+15 0.0 42900.0 ! DKH 7354 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H11OOHZ2=>R2OH+R5CHO+C2H2T+2C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7355 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C6H9OOHZ2=>R2OH+R14CH3CO+C2H2T+C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7356 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H7OOHZ2=>R2OH+R5CHO+C2H2T+C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7357 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H5OOHZ2=>R2OH+R14CH3CO+C2H2T 4.00E+15 0.0 42900.0 ! DKH 7358 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H3OOHZ2=>R2OH+R5CHO+C2H2T 4.00E+15 0.0 42900.0 ! DKH 7359 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8H13OOHZ2=>R2OH+R14CH3CO+C2H2T+2C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7360 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ ! Alcoholhydroperoxide decomposition C8H16OHOOH=>R2OH+HCHO+CH3CHO+R4CH3+2C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7361 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H6OHOOH=>R2OH+CH3CHO+R6CH2OH 4.00E+15 0.0 42900.0 ! DKH 7362 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H8OHOOH=>R2OH+HCHO+CH3CHO+R4CH3 4.00E+15 0.0 42900.0 ! DKH 7363 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H10OHOOH=>R2OH+CH3CHO+R6CH2OH+C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7364 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C6H12OHOOH=>R2OH+HCHO+CH3CHO+R4CH3+C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7365 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8H14OHOOHZ=>R2OH+HCHO+CH2COZ+R4CH3+2C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7366 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H6OHOOHZ=>R2OH+HCHO+CH2COZ+R4CH3 4.00E+15 0.0 42900.0 ! DKH 7367 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H8OHOOHZ=>R2OH+R6CH2OH+CH2COZ+C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7368 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C6H10OHOOHZ=>R2OH+HCHO+CH2COZ+R4CH3+C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7369 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H12OHOOHZ=>R2OH+R6CH2OH+CH2COZ+2C2H4Z 4.00E+15 0.0 42900.0 ! DKH 7370 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H4OHOOHZ=>R2OH+R6CH2OH+CH2COZ 4.00E+15 0.0 42900.0 ! DKH 7371 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ ! Dihydroperoxide decomposition ! Ketohydroperoxide decomposition C2H5COOOH=>R2OH+HCHO+B2CO+R4CH3 4.00E+15 0.0 42900.0 ! DK1 7372 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H7COOOH=>R2OH+HCHO+B2CO+R11C2H5 4.00E+15 0.0 42900.0 ! DK1 7373 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H9COOOH=>R2OH+HCHO+B2CO+C2H4Z+R4CH3 4.00E+15 0.0 42900.0 ! DK1 7374 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H11COOOH=>R2OH+HCHO+B2CO+C2H4Z+R11C2H5 4.00E+15 0.0 42900.0 ! DK1 7375 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ !C7H15COOOH=>R2OH+HCHO+B2CO+2C2H4Z+R11C2H5 4.00E+15 0.0 42900.0 ! DK1 7376 !PLOG/ 1 4.00E+15 0.0 42900.0/ !PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET12=>R2OH+C6H13CHO+R5CHO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET13=>R2OH+C5H11CHO+R13CH2CHO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET14=>R2OH+C4H9CHO+R715C2H4CHO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET15=>R2OH+C3H7CHO+R718C3H6CHO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET16=>R2OH+C2H5CHO+R720C4H8CHO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET17=>R2OH+CH3CHO+R1831C5H10CHO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET18=>R2OH+HCHO+R359C6H12CHO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET21=>R2OH+HCHO+R154C6H13CO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET23=>R2OH+C5H11CHO+R14CH3CO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET24=>R2OH+C4H9CHO+R1832CH3COCH2 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET25=>R2OH+C3H7CHO+R1833CH2CH2COCH3 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET26=>R2OH+C2H5CHO+R1834C3H6COCH3 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET27=>R2OH+CH3CHO+R1835C4H8COCH3 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET28=>R2OH+HCHO+R1836C5H10COCH3 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET31=>R2OH+HCHO+R1837C5H11COCH2 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET32=>R2OH+CH3CHO+RCOC5H11 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET34=>R2OH+C4H9CHO+R1781C2H5CO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET35=>R2OH+C3H7CHO+R1838C2H5COCH2 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET36=>R2OH+C2H5CHO+R1839C2H5COC2H4 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET37=>R2OH+CH3CHO+R1840C2H5COC3H6 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET38=>R2OH+HCHO+R1841C2H5COC4H8 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET41=>R2OH+HCHO+R1842C2H4COC4H9 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET42=>R2OH+CH3CHO+R1843CH2COC4H9 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET43=>R2OH+C2H5CHO+R1152C4H9CO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET45=>R2OH+C3H7CHO+R1148C3H7CO 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET46=>R2OH+C2H5CHO+R1844CH2COC3H7 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET47=>R2OH+CH3CHO+R1845C2H4COC3H7 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8KET48=>R2OH+HCHO+R1846C3H6COC3H7 4.00E+15 0.0 42900.0 ! DK1 7376 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ R1831C5H10CHO=>R718C3H6CHO+C2H4Z 2.0E+0013 0.000 28700.0 ! DE 6266 CW R1832CH3COCH2<=>CH2COZ+R4CH3 1.000E+14 0.000 3.100E+04 REV/ 1.000E+11 0.000 6.000E+03 / R1833CH2CH2COCH3<=>C2H4Z+R14CH3CO 1.000E+14 0.000 1.800E+04 REV/ 1.000E+11 0.000 0.000E+00 / R1834C3H6COCH3<=>C2H4Z+R1832CH3COCH2 2.904E+16 -1.21 2.700E+04 REV/ 1.000E+11 0.00 8.600E+03 / R1835C4H8COCH3<=>C2H4Z+R1833CH2CH2COCH3 2.904E+16 -1.21 2.700E+04 REV/ 1.000E+11 0.00 8.600E+03 / R1836C5H10COCH3<=>C2H4Z+R1834C3H6COCH3 2.904E+16 -1.21 2.700E+04 REV/ 1.000E+11 0.00 8.600E+03 / R1837C5H11COCH2<=>R26C5H11+CH2COZ 1.226E+18 -1.40 4.345E+04 REV/ 1.000E+11 0.00 1.160E+04 / R1838C2H5COCH2<=>CH2COZ+R11C2H5 1.000E+14 0.000 3.500E+04 REV/ 1.000E+11 0.000 0.000E+00 / R1839C2H5COC2H4<=>R1781C2H5CO+C2H4Z 1.769E+17 -1.46 2.954E+04 REV/ 8.000E+10 0.00 1.130E+04 / R1840C2H5COC3H6<=>R1838C2H5COCH2+C2H4Z 2.904E+16 -1.21 2.700E+04 REV/ 1.000E+11 0.00 8.600E+03 / R1841C2H5COC4H8<=>R1839C2H5COC2H4+C2H4Z 2.904E+16 -1.21 2.700E+04 REV/ 1.000E+11 0.00 8.600E+03 / R1842C2H4COC4H9<=>R1152C4H9CO+C2H4Z 1.769E+17 -1.46 2.954E+04 REV/ 8.000E+10 0.00 1.130E+04 / R1843CH2COC4H9<=>R20C4H9+CH2COZ 1.226E+18 -1.40 4.345E+04 REV/ 1.000E+11 0.00 1.160E+04 / R1844CH2COC3H7<=>R19C3H7+CH2COZ 1.226E+18 -1.40 4.345E+04 REV/ 1.000E+11 0.00 1.160E+04 / R1845C2H4COC3H7<=>R1148C3H7CO+C2H4Z 1.769E+17 -1.46 2.954E+04 REV/ 8.000E+10 0.00 1.130E+04 / R1846C3H6COC3H7<=>R1844CH2COC3H7+C2H4Z 2.904E+16 -1.21 2.700E+04 REV/ 1.000E+11 0.00 8.600E+03 / C6H13COOOH=>R2OH+HCHO+B2CO+2C2H4Z+R4CH3 4.00E+15 0.0 42900.0 ! DK1 7377 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C8H17COOOH=>R2OH+HCHO+B2CO+3C2H4Z+R4CH3 4.00E+15 0.0 42900.0 ! DK1 7378 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C6H11COOOHZ=>R2OH+R13CH2CHO+B2CO+2C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7379 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H9COOOHZ=>R2OH+R5CHO+B2CO+2C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7380 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H7COOOHZ=>R2OH+R13CH2CHO+B2CO+C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7381 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H5COOOHZ=>R2OH+R5CHO+B2CO+C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7382 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H13COOOHZ=>R2OH+R5CHO+B2CO+3C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7383 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C2H3COOOHZ=>R2OH+R13CH2CHO+B2CO 4.00E+15 0.0 42900.0 ! DK1 7384 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H14OHCOOOH=>2R2OH+HCHO+B2CO+3C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7385 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C2H4OHCOOOH=>R6CH2OH+R2OH+HCHO+B2CO 4.00E+15 0.0 42900.0 ! DK1 7386 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H6OHCOOOH=>2R2OH+HCHO+B2CO+C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7387 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H8OHCOOOH=>R6CH2OH+R2OH+HCHO+B2CO+C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7388 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H10OHCOOOH=>2R2OH+HCHO+B2CO+2C2H4Z 4.00E+15 0.0 42900.0 ! DK1 7389 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ ! Aldohydroperoxide decomposition C6H12CHOOOH=>R2OH+CH3CHO+2C2H4Z+R5CHO 4.00E+15 0.0 42900.0 ! DK2 7390 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H14CHOOOH=>R2OH+CH3CHO+2C2H4Z+R13CH2CHO 4.00E+15 0.0 42900.0 ! DK2 7391 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H6CHOOOHZ=>R2OH+CH2COZ+C2H4Z+R5CHO 4.00E+15 0.0 42900.0 ! DK2 7392 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C5H8CHOOOHZ=>R2OH+CH2COZ+C2H4Z+R13CH2CHO 4.00E+15 0.0 42900.0 ! DK2 7393 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H4CHOOOHZ=>R2OH+CH2COZ+R13CH2CHO 4.00E+15 0.0 42900.0 ! DK2 7394 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C2H2CHOOOHZ=>R2OH+CH2COZ+R5CHO 4.00E+15 0.0 42900.0 ! DK2 7395 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C2H4CHOOOH=>R2OH+CH3CHO+R5CHO 4.00E+15 0.0 42900.0 ! DK2 7396 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C3H6CHOOOH=>R2OH+CH3CHO+R13CH2CHO 4.00E+15 0.0 42900.0 ! DK2 7397 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C4H8CHOOOH=>R2OH+CH3CHO+C2H4Z+R5CHO 4.00E+15 0.0 42900.0 ! DK2 7398 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ ! Hydroperoxy ring decomposition ! Alcane reactions C3H8+R1H=>H2+R4CH3+C2H4Z 2.7E+0007 2.000 5000.0 ! ALC 7399 C3H8+R2OH=>H2O+R4CH3+C2H4Z 7.8E+0006 2.000 -765.0 ! ALC 7400 C3H8+R3OOH=>H2O2+R4CH3+C2H4Z 1.2E+0012 0.000 15500.0 ! ALC 7401 C3H8+R4CH3=>CH4+R4CH3+C2H4Z 6.0E+0011 0.000 9600.0 ! ALC 7402 C3H8+R8CH3OO=>CH3OOH+R4CH3+C2H4Z 4.5E+0012 0.000 17500.0 ! ALC 7403 C3H8+R11C2H5=>C2H6+R4CH3+C2H4Z 6.0E+0011 0.000 11000.0 ! ALC 7404 C4H10+R1H=>H2+R11C2H5+C2H4Z 2.7E+0007 2.000 5000.0 ! ALC 7405 C4H10+R2OH=>H2O+R11C2H5+C2H4Z 7.8E+0006 2.000 -765.0 ! ALC 7406 C4H10+R3OOH=>H2O2+R11C2H5+C2H4Z 1.2E+0012 0.000 15500.0 ! ALC 7407 C4H10+R4CH3=>CH4+R11C2H5+C2H4Z 6.0E+0011 0.000 9600.0 ! ALC 7408 C4H10+R8CH3OO=>CH3OOH+R11C2H5+C2H4Z 4.5E+0012 0.000 17500.0 ! ALC 7409 C4H10+R11C2H5=>C2H6+R11C2H5+C2H4Z 6.0E+0011 0.000 11000.0 ! ALC 7410 C5H12+R1H=>H2+R4CH3+2C2H4Z 2.7E+0007 2.000 5000.0 ! ALC 7411 C5H12+R2OH=>H2O+R4CH3+2C2H4Z 7.8E+0006 2.000 -765.0 ! ALC 7412 C5H12+R3OOH=>H2O2+R4CH3+2C2H4Z 1.2E+0012 0.000 15500.0 ! ALC 7413 C5H12+R4CH3=>CH4+R4CH3+2C2H4Z 6.0E+0011 0.000 9600.0 ! ALC 7414 C5H12+R8CH3OO=>CH3OOH+R4CH3+2C2H4Z 4.5E+0012 0.000 17500.0 ! ALC 7415 C5H12+R11C2H5=>C2H6+R4CH3+2C2H4Z 6.0E+0011 0.000 11000.0 ! ALC 7416 C6H14+R1H=>H2+R11C2H5+2C2H4Z 2.7E+0007 2.000 5000.0 ! ALC 7417 C6H14+R2OH=>H2O+R11C2H5+2C2H4Z 7.8E+0006 2.000 -765.0 ! ALC 7418 C6H14+R3OOH=>H2O2+R11C2H5+2C2H4Z 1.2E+0012 0.000 15500.0 ! ALC 7419 C6H14+R4CH3=>CH4+R11C2H5+2C2H4Z 6.0E+0011 0.000 9600.0 ! ALC 7420 C6H14+R8CH3OO=>CH3OOH+R11C2H5+2C2H4Z 4.5E+0012 0.000 17500.0 ! ALC 7421 C6H14+R11C2H5=>C2H6+R11C2H5+2C2H4Z 6.0E+0011 0.000 11000.0 ! ALC 7422 ! O-ring decomposition C3H6O#3+R1H=>H2+CH2COZ+R4CH3 2.7E+0007 2.000 5000.0 ! DOR 7423 C3H6O#3+R2OH=>H2O+CH2COZ+R4CH3 7.8E+0006 2.000 -765.0 ! DOR 7424 C3H6O#3+R3OOH=>H2O2+CH2COZ+R4CH3 1.2E+0012 0.000 15500.0 ! DOR 7425 C3H6O#3+R4CH3=>CH4+CH2COZ+R4CH3 6.0E+0011 0.000 9600.0 ! DOR 7426 C3H6O#3+R8CH3OO=>CH3OOH+CH2COZ+R4CH3 6.0E+0011 0.000 9600.0 ! DOR 7427 C3H6O#3+R11C2H5=>C2H6+CH2COZ+R4CH3 6.0E+0011 0.000 11000.0 ! DOR 7428 C4H8O#3+R1H=>H2+CH2COZ+R11C2H5 2.7E+0007 2.000 5000.0 ! DOR 7429 C4H8O#3+R2OH=>H2O+CH2COZ+R11C2H5 7.8E+0006 2.000 -765.0 ! DOR 7430 C4H8O#3+R3OOH=>H2O2+CH2COZ+R11C2H5 1.2E+0012 0.000 15500.0 ! DOR 7431 C4H8O#3+R4CH3=>CH4+CH2COZ+R11C2H5 6.0E+0011 0.000 9600.0 ! DOR 7432 C4H8O#3+R8CH3OO=>CH3OOH+CH2COZ+R11C2H5 6.0E+0011 0.000 9600.0 ! DOR 7433 C4H8O#3+R11C2H5=>C2H6+CH2COZ+R11C2H5 6.0E+0011 0.000 11000.0 ! DOR 7434 C5H10O#3+R1H=>H2+CH2COZ+R4CH3+C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7435 C5H10O#3+R2OH=>H2O+CH2COZ+R4CH3+C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7436 C5H10O#3+R3OOH=>H2O2+CH2COZ+R4CH3+C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7437 C5H10O#3+R4CH3=>CH4+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7438 C5H10O#3+R8CH3OO=>CH3OOH+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7439 C5H10O#3+R11C2H5=>C2H6+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7440 C6H12O#3+R1H=>H2+CH2COZ+R11C2H5+C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7441 C6H12O#3+R2OH=>H2O+CH2COZ+R11C2H5+C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7442 C6H12O#3+R3OOH=>H2O2+CH2COZ+R11C2H5+C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7443 C6H12O#3+R4CH3=>CH4+CH2COZ+R11C2H5+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7444 C6H12O#3+R8CH3OO=>CH3OOH+CH2COZ+R11C2H5+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7445 C6H12O#3+R11C2H5=>C2H6+CH2COZ+R11C2H5+C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7446 C8H16O#3+R1H=>H2+CH2COZ+R11C2H5+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7447 C8H16O#3+R2OH=>H2O+CH2COZ+R11C2H5+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7448 C8H16O#3+R3OOH=>H2O2+CH2COZ+R11C2H5+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7449 C8H16O#3+R4CH3=>CH4+CH2COZ+R11C2H5+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7450 C8H16O#3+R8CH3OO=>CH3OOH+CH2COZ+R11C2H5+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7451 C8H16O#3+R11C2H5=>C2H6+CH2COZ+R11C2H5+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7452 C8H15O#3OH+R1H=>H2+CH2COZ+R2OH+3C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7453 C8H15O#3OH+R2OH=>H2O+CH2COZ+R2OH+3C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7454 C8H15O#3OH+R3OOH=>H2O2+CH2COZ+R2OH+3C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7455 C8H15O#3OH+R4CH3=>CH4+CH2COZ+R2OH+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7456 C8H15O#3OH+R8CH3OO=>CH3OOH+CH2COZ+R2OH+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7457 C8H15O#3OH+R11C2H5=>C2H6+CH2COZ+R2OH+3C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7458 C7H14O#3+R1H=>H2+CH2COZ+R4CH3+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7459 C7H14O#3+R2OH=>H2O+CH2COZ+R4CH3+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7460 C7H14O#3+R3OOH=>H2O2+CH2COZ+R4CH3+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7461 C7H14O#3+R4CH3=>CH4+CH2COZ+R4CH3+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7462 C7H14O#3+R8CH3OO=>CH3OOH+CH2COZ+R4CH3+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7463 C7H14O#3+R11C2H5=>C2H6+CH2COZ+R4CH3+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7464 C9H18O#3+R1H=>H2+CH2COZ+R4CH3+3C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7465 C9H18O#3+R2OH=>H2O+CH2COZ+R4CH3+3C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7466 C9H18O#3+R3OOH=>H2O2+CH2COZ+R4CH3+3C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7467 C9H18O#3+R4CH3=>CH4+CH2COZ+R4CH3+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7468 C9H18O#3+R8CH3OO=>CH3OOH+CH2COZ+R4CH3+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7469 C9H18O#3+R11C2H5=>C2H6+CH2COZ+R4CH3+3C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7470 C3H5O#3OH+R1H=>H2+CH2COZ+R6CH2OH 2.7E+0007 2.000 5000.0 ! DOR 7471 C3H5O#3OH+R2OH=>H2O+CH2COZ+R6CH2OH 7.8E+0006 2.000 -765.0 ! DOR 7472 C3H5O#3OH+R3OOH=>H2O2+CH2COZ+R6CH2OH 1.2E+0012 0.000 15500.0 ! DOR 7473 C3H5O#3OH+R4CH3=>CH4+CH2COZ+R6CH2OH 6.0E+0011 0.000 9600.0 ! DOR 7474 C3H5O#3OH+R8CH3OO=>CH3OOH+CH2COZ+R6CH2OH 6.0E+0011 0.000 9600.0 ! DOR 7475 C3H5O#3OH+R11C2H5=>C2H6+CH2COZ+R6CH2OH 6.0E+0011 0.000 11000.0 ! DOR 7476 C4H7O#3OH+R1H=>H2+CH2COZ+R2OH+C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7477 C4H7O#3OH+R2OH=>H2O+CH2COZ+R2OH+C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7478 C4H7O#3OH+R3OOH=>H2O2+CH2COZ+R2OH+C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7479 C4H7O#3OH+R4CH3=>CH4+CH2COZ+R2OH+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7480 C4H7O#3OH+R8CH3OO=>CH3OOH+CH2COZ+R2OH+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7481 C4H7O#3OH+R11C2H5=>C2H6+CH2COZ+R2OH+C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7482 C6H11O#3OH+R1H=>H2+CH2COZ+R2OH+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7483 C6H11O#3OH+R2OH=>H2O+CH2COZ+R2OH+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7484 C6H11O#3OH+R3OOH=>H2O2+CH2COZ+R2OH+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7485 C6H11O#3OH+R4CH3=>CH4+CH2COZ+R2OH+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7486 C6H11O#3OH+R8CH3OO=>CH3OOH+CH2COZ+R2OH+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7487 C6H11O#3OH+R11C2H5=>C2H6+CH2COZ+R2OH+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7488 C5H9O#3OH+R1H=>H2+CH2COZ+R6CH2OH+C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7489 C5H9O#3OH+R2OH=>H2O+CH2COZ+R6CH2OH+C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7490 C5H9O#3OH+R3OOH=>H2O2+CH2COZ+R6CH2OH+C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7491 C5H9O#3OH+R4CH3=>CH4+CH2COZ+R6CH2OH+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7492 C5H9O#3OH+R8CH3OO=>CH3OOH+CH2COZ+R6CH2OH+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7493 C5H9O#3OH+R11C2H5=>C2H6+CH2COZ+R6CH2OH+C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7494 C16H32O#3+R1H=>H2+CH2COZ+R11C2H5+6C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7495 C16H32O#3+R2OH=>H2O+CH2COZ+R11C2H5+6C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7496 C16H32O#3+R3OOH=>H2O2+CH2COZ+R11C2H5+6C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7497 C16H32O#3+R4CH3=>CH4+CH2COZ+R11C2H5+6C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7498 C16H32O#3+R8CH3OO=>CH3OOH+CH2COZ+R11C2H5+6C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7499 C16H32O#3+R11C2H5=>C2H6+CH2COZ+R11C2H5+6C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7500 C10H20O#3+R1H=>H2+CH2COZ+R11C2H5+3C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7501 C10H20O#3+R2OH=>H2O+CH2COZ+R11C2H5+3C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7502 C10H20O#3+R3OOH=>H2O2+CH2COZ+R11C2H5+3C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7503 C10H20O#3+R4CH3=>CH4+CH2COZ+R11C2H5+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7504 C10H20O#3+R8CH3OO=>CH3OOH+CH2COZ+R11C2H5+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7505 C10H20O#3+R11C2H5=>C2H6+CH2COZ+R11C2H5+3C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7506 C11H22O#3+R1H=>H2+CH2COZ+R4CH3+4C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7507 C11H22O#3+R2OH=>H2O+CH2COZ+R4CH3+4C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7508 C11H22O#3+R3OOH=>H2O2+CH2COZ+R4CH3+4C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7509 C11H22O#3+R4CH3=>CH4+CH2COZ+R4CH3+4C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7510 C11H22O#3+R8CH3OO=>CH3OOH+CH2COZ+R4CH3+4C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7511 C11H22O#3+R11C2H5=>C2H6+CH2COZ+R4CH3+4C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7512 C3H6O#4+R1H=>H2+R5CHO+C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7513 C3H6O#4+R2OH=>H2O+R5CHO+C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7514 C3H6O#4+R3OOH=>H2O2+R5CHO+C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7515 C3H6O#4+R4CH3=>CH4+R5CHO+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7516 C3H6O#4+R8CH3OO=>CH3OOH+R5CHO+C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7517 C3H6O#4+R11C2H5=>C2H6+R5CHO+C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7518 C4H8O#4+R1H=>H2+R13CH2CHO+C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7519 C4H8O#4+R2OH=>H2O+R13CH2CHO+C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7520 C4H8O#4+R3OOH=>H2O2+R13CH2CHO+C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7521 C4H8O#4+R4CH3=>CH4+R13CH2CHO+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7522 C4H8O#4+R8CH3OO=>CH3OOH+R13CH2CHO+C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7523 C4H8O#4+R11C2H5=>C2H6+R13CH2CHO+C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7524 C4H8O#5+R1H=>H2+R13CH2CHO+C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7525 C4H8O#5+R2OH=>H2O+R13CH2CHO+C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7526 C4H8O#5+R3OOH=>H2O2+R13CH2CHO+C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7527 C4H8O#5+R4CH3=>CH4+R13CH2CHO+C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7528 C4H8O#5+R8CH3OO=>CH3OOH+R13CH2CHO+C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7529 C4H8O#5+R11C2H5=>C2H6+R13CH2CHO+C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7530 C5H10O#4+R1H=>H2+R5CHO+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7531 C5H10O#4+R2OH=>H2O+R5CHO+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7532 C5H10O#4+R3OOH=>H2O2+R5CHO+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7533 C5H10O#4+R4CH3=>CH4+R5CHO+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7534 C5H10O#4+R8CH3OO=>CH3OOH+R5CHO+2C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7535 C5H10O#4+R11C2H5=>C2H6+R5CHO+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7536 C5H10O#5+R1H=>H2+R5CHO+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7537 C5H10O#5+R2OH=>H2O+R5CHO+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7538 C5H10O#5+R3OOH=>H2O2+R5CHO+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7539 C5H10O#5+R4CH3=>CH4+R5CHO+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7540 C5H10O#5+R8CH3OO=>CH3OOH+R5CHO+2C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7541 C5H10O#5+R11C2H5=>C2H6+R5CHO+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7542 C5H10O#6+R1H=>H2+R5CHO+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7543 C5H10O#6+R2OH=>H2O+R5CHO+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7544 C5H10O#6+R3OOH=>H2O2+R5CHO+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7545 C5H10O#6+R4CH3=>CH4+R5CHO+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7546 C5H10O#6+R8CH3OO=>CH3OOH+R5CHO+2C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7547 C5H10O#6+R11C2H5=>C2H6+R5CHO+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7548 C6H12O#4+R1H=>H2+R13CH2CHO+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7549 C6H12O#4+R2OH=>H2O+R13CH2CHO+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7550 C6H12O#4+R3OOH=>H2O2+R13CH2CHO+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7551 C6H12O#4+R4CH3=>CH4+R13CH2CHO+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7552 C6H12O#4+R8CH3OO=>CH3OOH+R13CH2CHO+2C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7553 C6H12O#4+R11C2H5=>C2H6+R13CH2CHO+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7554 C6H12O#5+R1H=>H2+R13CH2CHO+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7555 C6H12O#5+R2OH=>H2O+R13CH2CHO+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7556 C6H12O#5+R3OOH=>H2O2+R13CH2CHO+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7557 C6H12O#5+R4CH3=>CH4+R13CH2CHO+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7558 C6H12O#5+R8CH3OO=>CH3OOH+R13CH2CHO+2C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7559 C6H12O#5+R11C2H5=>C2H6+R13CH2CHO+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7560 C6H12O#6+R1H=>H2+R13CH2CHO+2C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7561 C6H12O#6+R2OH=>H2O+R13CH2CHO+2C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7562 C6H12O#6+R3OOH=>H2O2+R13CH2CHO+2C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7563 C6H12O#6+R4CH3=>CH4+R13CH2CHO+2C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7564 C6H12O#6+R8CH3OO=>CH3OOH+R13CH2CHO+2C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7565 C6H12O#6+R11C2H5=>C2H6+R13CH2CHO+2C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7566 C7H14O#4+R1H=>H2+R5CHO+3C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7567 C7H14O#4+R2OH=>H2O+R5CHO+3C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7568 C7H14O#4+R3OOH=>H2O2+R5CHO+3C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7569 C7H14O#4+R4CH3=>CH4+R5CHO+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7570 C7H14O#4+R8CH3OO=>CH3OOH+R5CHO+3C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7571 C7H14O#4+R11C2H5=>C2H6+R5CHO+3C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7572 C7H14O#5+R1H=>H2+R5CHO+3C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7573 C7H14O#5+R2OH=>H2O+R5CHO+3C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7574 C7H14O#5+R3OOH=>H2O2+R5CHO+3C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7575 C7H14O#5+R4CH3=>CH4+R5CHO+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7576 C7H14O#5+R8CH3OO=>CH3OOH+R5CHO+3C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7577 C7H14O#5+R11C2H5=>C2H6+R5CHO+3C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7578 C7H14O#6+R1H=>H2+R5CHO+3C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7579 C7H14O#6+R2OH=>H2O+R5CHO+3C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7580 C7H14O#6+R3OOH=>H2O2+R5CHO+3C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7581 C7H14O#6+R4CH3=>CH4+R5CHO+3C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7582 C7H14O#6+R8CH3OO=>CH3OOH+R5CHO+3C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7583 C7H14O#6+R11C2H5=>C2H6+R5CHO+3C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7584 C9H18O#4+R1H=>H2+R5CHO+4C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7585 C9H18O#4+R2OH=>H2O+R5CHO+4C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7586 C9H18O#4+R3OOH=>H2O2+R5CHO+4C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7587 C9H18O#4+R4CH3=>CH4+R5CHO+4C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7588 C9H18O#4+R8CH3OO=>CH3OOH+R5CHO+4C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7589 C9H18O#4+R11C2H5=>C2H6+R5CHO+4C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7590 C9H18O#5+R1H=>H2+R5CHO+4C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7591 C9H18O#5+R2OH=>H2O+R5CHO+4C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7592 C9H18O#5+R3OOH=>H2O2+R5CHO+4C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7593 C9H18O#5+R4CH3=>CH4+R5CHO+4C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7594 C9H18O#5+R8CH3OO=>CH3OOH+R5CHO+4C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7595 C9H18O#5+R11C2H5=>C2H6+R5CHO+4C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7596 C9H18O#6+R1H=>H2+R5CHO+4C2H4Z 2.7E+0007 2.000 5000.0 ! DOR 7597 C9H18O#6+R2OH=>H2O+R5CHO+4C2H4Z 7.8E+0006 2.000 -765.0 ! DOR 7598 C9H18O#6+R3OOH=>H2O2+R5CHO+4C2H4Z 1.2E+0012 0.000 15500.0 ! DOR 7599 C9H18O#6+R4CH3=>CH4+R5CHO+4C2H4Z 6.0E+0011 0.000 9600.0 ! DOR 7600 C9H18O#6+R8CH3OO=>CH3OOH+R5CHO+4C2H4Z 4.5E+0012 0.000 17500.0 ! DOR 7601 C9H18O#6+R11C2H5=>C2H6+R5CHO+4C2H4Z 6.0E+0011 0.000 11000.0 ! DOR 7602 C3H6O#3+B1O=>R2OH+R5CHO+C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7603 C3H6O#4+B1O=>R2OH+R5CHO+C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7604 C4H8O#3+B1O=>R2OH+R13CH2CHO+C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7605 C4H8O#4+B1O=>R2OH+R13CH2CHO+C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7606 C4H8O#5+B1O=>R2OH+R13CH2CHO+C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7607 C5H10O#3+B1O=>R2OH+R5CHO+2C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7608 C5H10O#4+B1O=>R2OH+R5CHO+2C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7609 C5H10O#5+B1O=>R2OH+R5CHO+2C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7610 C5H10O#6+B1O=>R2OH+R5CHO+2C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7611 C6H12O#3+B1O=>R2OH+R13CH2CHO+2C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7612 C6H12O#4+B1O=>R2OH+R13CH2CHO+2C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7613 C6H12O#5+B1O=>R2OH+R13CH2CHO+2C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7614 C6H12O#6+B1O=>R2OH+R13CH2CHO+2C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7615 C8H16O#3+B1O=>R2OH+R13CH2CHO+3C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7616 C7H14O#3+B1O=>R2OH+R5CHO+3C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7617 C7H14O#4+B1O=>R2OH+R5CHO+3C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7618 C7H14O#5+B1O=>R2OH+R5CHO+3C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7619 C7H14O#6+B1O=>R2OH+R5CHO+3C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7620 C9H18O#3+B1O=>R2OH+R5CHO+4C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7621 C9H18O#4+B1O=>R2OH+R5CHO+4C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7622 C9H18O#5+B1O=>R2OH+R5CHO+4C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7623 C9H18O#6+B1O=>R2OH+R5CHO+4C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7624 C16H32O#3+B1O=>R2OH+R13CH2CHO+7C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7625 C10H20O#3+B1O=>R2OH+R13CH2CHO+4C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7626 C11H22O#3+B1O=>R2OH+R5CHO+5C2H4Z 7.8E+0013 0.000 5200.0 ! DOR 7627 ! Metatheses of oxiranes and furanes C8H14OZ#4+R1H=>H2+.C8H13OZ#4 2.7E+0007 2.000 5000.0 ! ??? 7628 C8H14OZ#4+R2OH=>H2O+.C8H13OZ#4 7.8E+0006 2.000 -765.0 ! ??? 7629 C8H14OZ#4+R3OOH=>H2O2+.C8H13OZ#4 1.2E+0012 0.000 15500.0 ! ??? 7630 C8H14OZ#4+R4CH3=>CH4+.C8H13OZ#4 6.0E+0011 0.000 9600.0 ! ??? 7631 C8H14OZ#4+R8CH3OO=>CH3OOH+.C8H13OZ#4 6.0E+0011 0.000 9600.0 ! ??? 7632 C8H14OZ#4+R11C2H5=>C2H6+.C8H13OZ#4 6.0E+0011 0.000 11000.0 ! ??? 7633 C8H14O#4Z+R1H=>H2+.C8H13O#4Z 2.7E+0007 2.000 5000.0 ! ??? 7634 C8H14O#4Z+R2OH=>H2O+.C8H13O#4Z 7.8E+0006 2.000 -765.0 ! ??? 7635 C8H14O#4Z+R3OOH=>H2O2+.C8H13O#4Z 1.2E+0012 0.000 15500.0 ! ??? 7636 C8H14O#4Z+R4CH3=>CH4+.C8H13O#4Z 6.0E+0011 0.000 9600.0 ! ??? 7637 C8H14O#4Z+R8CH3OO=>CH3OOH+.C8H13O#4Z 6.0E+0011 0.000 9600.0 ! ??? 7638 C8H14O#4Z+R11C2H5=>C2H6+.C8H13O#4Z 6.0E+0011 0.000 11000.0 ! ??? 7639 C8H14O#5Z+R1H=>H2+.C8H13O#5Z 2.7E+0007 2.000 5000.0 ! ??? 7640 C8H14O#5Z+R2OH=>H2O+.C8H13O#5Z 7.8E+0006 2.000 -765.0 ! ??? 7641 C8H14O#5Z+R3OOH=>H2O2+.C8H13O#5Z 1.2E+0012 0.000 15500.0 ! ??? 7642 C8H14O#5Z+R4CH3=>CH4+.C8H13O#5Z 6.0E+0011 0.000 9600.0 ! ??? 7643 C8H14O#5Z+R8CH3OO=>CH3OOH+.C8H13O#5Z 6.0E+0011 0.000 9600.0 ! ??? 7644 C8H14O#5Z+R11C2H5=>C2H6+.C8H13O#5Z 6.0E+0011 0.000 11000.0 ! ??? 7645 C8H14O#6Z+R1H=>H2+.C8H13O#6Z 2.7E+0007 2.000 5000.0 ! ??? 7646 C8H14O#6Z+R2OH=>H2O+.C8H13O#6Z 7.8E+0006 2.000 -765.0 ! ??? 7647 C8H14O#6Z+R3OOH=>H2O2+.C8H13O#6Z 1.2E+0012 0.000 15500.0 ! ??? 7648 C8H14O#6Z+R4CH3=>CH4+.C8H13O#6Z 6.0E+0011 0.000 9600.0 ! ??? 7649 C8H14O#6Z+R8CH3OO=>CH3OOH+.C8H13O#6Z 6.0E+0011 0.000 9600.0 ! ??? 7650 C8H14O#6Z+R11C2H5=>C2H6+.C8H13O#6Z 6.0E+0011 0.000 11000.0 ! ??? 7651 C8H14OZ#5+R1H=>H2+.C8H13OZ#5 2.7E+0007 2.000 5000.0 ! ??? 7652 C8H14OZ#5+R2OH=>H2O+.C8H13OZ#5 7.8E+0006 2.000 -765.0 ! ??? 7653 C8H14OZ#5+R3OOH=>H2O2+.C8H13OZ#5 1.2E+0012 0.000 15500.0 ! ??? 7654 C8H14OZ#5+R4CH3=>CH4+.C8H13OZ#5 6.0E+0011 0.000 9600.0 ! ??? 7655 C8H14OZ#5+R8CH3OO=>CH3OOH+.C8H13OZ#5 6.0E+0011 0.000 9600.0 ! ??? 7656 C8H14OZ#5+R11C2H5=>C2H6+.C8H13OZ#5 6.0E+0011 0.000 11000.0 ! ??? 7657 C8H14OZ#6+R1H=>H2+.C8H13OZ#6 2.7E+0007 2.000 5000.0 ! ??? 7658 C8H14OZ#6+R2OH=>H2O+.C8H13OZ#6 7.8E+0006 2.000 -765.0 ! ??? 7659 C8H14OZ#6+R3OOH=>H2O2+.C8H13OZ#6 1.2E+0012 0.000 15500.0 ! ??? 7660 C8H14OZ#6+R4CH3=>CH4+.C8H13OZ#6 6.0E+0011 0.000 9600.0 ! ??? 7661 C8H14OZ#6+R8CH3OO=>CH3OOH+.C8H13OZ#6 6.0E+0011 0.000 9600.0 ! ??? 7662 C8H14OZ#6+R11C2H5=>C2H6+.C8H13OZ#6 6.0E+0011 0.000 11000.0 ! ??? 7663 C8H16O#4+R1H=>H2+.C8H15O#4 2.7E+0007 2.000 5000.0 ! ??? 7664 C8H16O#4+R2OH=>H2O+.C8H15O#4 7.8E+0006 2.000 -765.0 ! ??? 7665 C8H16O#4+R3OOH=>H2O2+.C8H15O#4 1.2E+0012 0.000 15500.0 ! ??? 7666 C8H16O#4+R4CH3=>CH4+.C8H15O#4 6.0E+0011 0.000 9600.0 ! ??? 7667 C8H16O#4+R8CH3OO=>CH3OOH+.C8H15O#4 6.0E+0011 0.000 9600.0 ! ??? 7668 C8H16O#4+R11C2H5=>C2H6+.C8H15O#4 6.0E+0011 0.000 11000.0 ! ??? 7669 C8H16O#5+R1H=>H2+.C8H15O#5 2.7E+0007 2.000 5000.0 ! ??? 7670 C8H16O#5+R2OH=>H2O+.C8H15O#5 7.8E+0006 2.000 -765.0 ! ??? 7671 C8H16O#5+R3OOH=>H2O2+.C8H15O#5 1.2E+0012 0.000 15500.0 ! ??? 7672 C8H16O#5+R4CH3=>CH4+.C8H15O#5 6.0E+0011 0.000 9600.0 ! ??? 7673 C8H16O#5+R8CH3OO=>CH3OOH+.C8H15O#5 6.0E+0011 0.000 9600.0 ! ??? 7674 C8H16O#5+R11C2H5=>C2H6+.C8H15O#5 6.0E+0011 0.000 11000.0 ! ??? 7675 C8H16O#6+R1H=>H2+.C8H15O#6 2.7E+0007 2.000 5000.0 ! ??? 7676 C8H16O#6+R2OH=>H2O+.C8H15O#6 7.8E+0006 2.000 -765.0 ! ??? 7677 C8H16O#6+R3OOH=>H2O2+.C8H15O#6 1.2E+0012 0.000 15500.0 ! ??? 7678 C8H16O#6+R4CH3=>CH4+.C8H15O#6 6.0E+0011 0.000 9600.0 ! ??? 7679 C8H16O#6+R8CH3OO=>CH3OOH+.C8H15O#6 6.0E+0011 0.000 9600.0 ! ??? 7680 C8H16O#6+R11C2H5=>C2H6+.C8H15O#6 6.0E+0011 0.000 11000.0 ! ??? 7681 C8H15O#4OH+R1H=>H2+.C8H14O#4OH 2.7E+0007 2.000 5000.0 ! ??? 7682 C8H15O#4OH+R2OH=>H2O+.C8H14O#4OH 7.8E+0006 2.000 -765.0 ! ??? 7683 C8H15O#4OH+R3OOH=>H2O2+.C8H14O#4OH 1.2E+0012 0.000 15500.0 ! ??? 7684 C8H15O#4OH+R4CH3=>CH4+.C8H14O#4OH 6.0E+0011 0.000 9600.0 ! ??? 7685 C8H15O#4OH+R8CH3OO=>CH3OOH+.C8H14O#4OH 6.0E+0011 0.000 9600.0 ! ??? 7686 C8H15O#4OH+R11C2H5=>C2H6+.C8H14O#4OH 6.0E+0011 0.000 11000.0 ! ??? 7687 C8H15O#5OH+R1H=>H2+.C8H14O#5OH 2.7E+0007 2.000 5000.0 ! ??? 7688 C8H15O#5OH+R2OH=>H2O+.C8H14O#5OH 7.8E+0006 2.000 -765.0 ! ??? 7689 C8H15O#5OH+R3OOH=>H2O2+.C8H14O#5OH 1.2E+0012 0.000 15500.0 ! ??? 7690 C8H15O#5OH+R4CH3=>CH4+.C8H14O#5OH 6.0E+0011 0.000 9600.0 ! ??? 7691 C8H15O#5OH+R8CH3OO=>CH3OOH+.C8H14O#5OH 6.0E+0011 0.000 9600.0 ! ??? 7692 C8H15O#5OH+R11C2H5=>C2H6+.C8H14O#5OH 6.0E+0011 0.000 11000.0 ! ??? 7693 C8H15O#6OH+R1H=>H2+.C8H14O#6OH 2.7E+0007 2.000 5000.0 ! ??? 7694 C8H15O#6OH+R2OH=>H2O+.C8H14O#6OH 7.8E+0006 2.000 -765.0 ! ??? 7695 C8H15O#6OH+R3OOH=>H2O2+.C8H14O#6OH 1.2E+0012 0.000 15500.0 ! ??? 7696 C8H15O#6OH+R4CH3=>CH4+.C8H14O#6OH 6.0E+0011 0.000 9600.0 ! ??? 7697 C8H15O#6OH+R8CH3OO=>CH3OOH+.C8H14O#6OH 6.0E+0011 0.000 9600.0 ! ??? 7698 C8H15O#6OH+R11C2H5=>C2H6+.C8H14O#6OH 6.0E+0011 0.000 11000.0 ! ??? 7699 C8H14Z#6+R1H=>H2+.C8H13Z#6 2.7E+0007 2.000 5000.0 ! ??? 7700 C8H14Z#6+R2OH=>H2O+.C8H13Z#6 7.8E+0006 2.000 -765.0 ! ??? 7701 C8H14Z#6+R3OOH=>H2O2+.C8H13Z#6 1.2E+0012 0.000 15500.0 ! ??? 7702 C8H14Z#6+R4CH3=>CH4+.C8H13Z#6 6.0E+0011 0.000 9600.0 ! ??? 7703 C8H14Z#6+R8CH3OO=>CH3OOH+.C8H13Z#6 6.0E+0011 0.000 9600.0 ! ??? 7704 C8H14Z#6+R11C2H5=>C2H6+.C8H13Z#6 6.0E+0011 0.000 11000.0 ! ??? 7705 C8H14#6Z+R1H=>H2+.C8H13Z#6 2.7E+0007 2.000 5000.0 ! ??? 7700 C8H14#6Z+R2OH=>H2O+.C8H13Z#6 7.8E+0006 2.000 -765.0 ! ??? 7701 C8H14#6Z+R3OOH=>H2O2+.C8H13Z#6 1.2E+0012 0.000 15500.0 ! ??? 7702 C8H14#6Z+R4CH3=>CH4+.C8H13Z#6 6.0E+0011 0.000 9600.0 ! ??? 7703 C8H14#6Z+R8CH3OO=>CH3OOH+.C8H13Z#6 6.0E+0011 0.000 9600.0 ! ??? 7704 C8H14#6Z+R11C2H5=>C2H6+.C8H13Z#6 6.0E+0011 0.000 11000.0 ! ??? 7705 C6H10Z#6+R1H=>H2+dC6H9Z#6 2.7E+0007 2.000 5000.0 ! ??? 3093 C6H10Z#6+R2OH=>H2O+dC6H9Z#6 7.8E+0006 2.000 -765.0 ! ??? 3094 C6H10Z#6+R3OOH=>H2O2+dC6H9Z#6 1.2E+0012 0.000 15500.0 ! ??? 3095 C6H10Z#6+R4CH3=>CH4+dC6H9Z#6 6.0E+0011 0.000 9600.0 ! ??? 3096 C6H10Z#6+R8CH3OO=>CH3OOH+dC6H9Z#6 6.0E+0011 0.000 9600.0 ! ??? 3097 C6H10Z#6+R11C2H5=>C2H6+dC6H9Z#6 6.0E+0011 0.000 11000.0 ! ??? 3098 ! decompositions of cyclo-ether radicals .C8H15O#4=>R13CH2CHO+3C2H4Z 5.0E+0013 0.000 28800.0 ! ??? 7706 .C8H15O#5=>R13CH2CHO+3C2H4Z 5.0E+0013 0.000 28800.0 ! ??? 7707 .C8H15O#6=>R13CH2CHO+3C2H4Z 5.0E+0013 0.000 28800.0 ! ??? 7708 .C8H14O#4OH=>R13CH2CHO+CH3CHO+2C2H4Z 5.0E+0013 0.000 28800.0 ! ??? 7709 .C8H14O#5OH=>R13CH2CHO+CH3CHO+2C2H4Z 5.0E+0013 0.000 28800.0 ! ??? 7710 .C8H14O#6OH=>R13CH2CHO+CH3CHO+2C2H4Z 5.0E+0013 0.000 28800.0 ! ??? 7711 ! Addition of oxygen on cyclo-ether radicals .C8H13OZ#4+O2=>.OOC8H13OZ#4 3.0E+0019 -2.500 0.0 ! ??? 7712 .C8H13O#4Z+O2=>.OOC8H13O#4Z 3.0E+0019 -2.500 0.0 ! ??? 7713 .C8H13O#5Z+O2=>.OOC8H13O#5Z 3.0E+0019 -2.500 0.0 ! ??? 7714 .C8H13O#6Z+O2=>.OOC8H13O#6Z 3.0E+0019 -2.500 0.0 ! ??? 7715 .C8H13OZ#5+O2=>.OOC8H13OZ#5 3.0E+0019 -2.500 0.0 ! ??? 7716 .C8H13OZ#6+O2=>.OOC8H13OZ#6 3.0E+0019 -2.500 0.0 ! ??? 7717 .C8H15O#4+O2=>.OOC8H15O#4 3.0E+0019 -2.500 0.0 ! ??? 7718 .C8H15O#5+O2=>.OOC8H15O#5 3.0E+0019 -2.500 0.0 ! ??? 7719 .C8H15O#6+O2=>.OOC8H15O#6 3.0E+0019 -2.500 0.0 ! ??? 7720 .C8H14O#4OH+O2=>.OOC8H14O#4OH 3.0E+0019 -2.500 0.0 ! ??? 7721 .C8H14O#5OH+O2=>.OOC8H14O#5OH 3.0E+0019 -2.500 0.0 ! ??? 7722 .C8H14O#6OH+O2=>.OOC8H14O#6OH 3.0E+0019 -2.500 0.0 ! ??? 7723 .OOC8H13OZ#4=>.C8H13OZ#4+O2 5.0E+0022 -2.500 40000.0 ! ??? 7724 .OOC8H13O#4Z=>.C8H13O#4Z+O2 5.0E+0022 -2.500 40000.0 ! ??? 7725 .OOC8H13O#5Z=>.C8H13O#5Z+O2 5.0E+0022 -2.500 40000.0 ! ??? 7726 .OOC8H13O#6Z=>.C8H13O#6Z+O2 5.0E+0022 -2.500 40000.0 ! ??? 7727 .OOC8H13OZ#5=>.C8H13OZ#5+O2 5.0E+0022 -2.500 40000.0 ! ??? 7728 .OOC8H13OZ#6=>.C8H13OZ#6+O2 5.0E+0022 -2.500 40000.0 ! ??? 7729 .OOC8H15O#4=>.C8H15O#4+O2 5.0E+0022 -2.500 40000.0 ! ??? 7730 .OOC8H15O#5=>.C8H15O#5+O2 5.0E+0022 -2.500 40000.0 ! ??? 7731 .OOC8H15O#6=>.C8H15O#6+O2 5.0E+0022 -2.500 40000.0 ! ??? 7732 .OOC8H14O#4OH=>.C8H14O#4OH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7733 .OOC8H14O#5OH=>.C8H14O#5OH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7734 .OOC8H14O#6OH=>.C8H14O#6OH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7735 ! Isomerization of peroxy-radicals .OOC8H13OZ#4=>.C8H12OZ#4OOH 8.0E+0013 0.000 25500.0 ! ??? 7736 .OOC8H13O#4Z=>.C8H12O#4OOHZ 8.0E+0013 0.000 25500.0 ! ??? 7737 .OOC8H13O#5Z=>.C8H12O#5OOHZ 8.0E+0013 0.000 25500.0 ! ??? 7738 .OOC8H13O#6Z=>.C8H12O#6OOHZ 8.0E+0013 0.000 25500.0 ! ??? 7739 .OOC8H13OZ#5=>.C8H12OZ#5OOH 8.0E+0013 0.000 25500.0 ! ??? 7740 .OOC8H13OZ#6=>.C8H12OZ#6OOH 8.0E+0013 0.000 25500.0 ! ??? 7741 .OOC8H15O#4=>.C8H14O#4OOH 8.0E+0013 0.000 25500.0 ! ??? 7742 .OOC8H15O#5=>.C8H14O#5OOH 8.0E+0013 0.000 25500.0 ! ??? 7743 .OOC8H15O#6=>.C8H14O#6OOH 8.0E+0013 0.000 25500.0 ! ??? 7744 .OOC8H14O#4OH=>.C8H13O#4OHOOH 8.0E+0013 0.000 25500.0 ! ??? 7745 .OOC8H14O#5OH=>.C8H13O#5OHOOH 8.0E+0013 0.000 25500.0 ! ??? 7746 .OOC8H14O#6OH=>.C8H13O#6OHOOH 8.0E+0013 0.000 25500.0 ! ??? 7747 .C8H12OZ#4OOH=>.OOC8H13OZ#4 4.8E+0012 0.000 19000.0 ! ??? 7748 .C8H12O#4OOHZ=>.OOC8H13O#4Z 4.8E+0012 0.000 19000.0 ! ??? 7749 .C8H12O#5OOHZ=>.OOC8H13O#5Z 4.8E+0012 0.000 19000.0 ! ??? 7750 .C8H12O#6OOHZ=>.OOC8H13O#6Z 4.8E+0012 0.000 19000.0 ! ??? 7751 .C8H12OZ#5OOH=>.OOC8H13OZ#5 4.8E+0012 0.000 19000.0 ! ??? 7752 .C8H12OZ#6OOH=>.OOC8H13OZ#6 4.8E+0012 0.000 19000.0 ! ??? 7753 .C8H14O#4OOH=>.OOC8H15O#4 4.8E+0012 0.000 19000.0 ! ??? 7754 .C8H14O#5OOH=>.OOC8H15O#5 4.8E+0012 0.000 19000.0 ! ??? 7755 .C8H14O#6OOH=>.OOC8H15O#6 4.8E+0012 0.000 19000.0 ! ??? 7756 .C8H13O#4OHOOH=>.OOC8H14O#4OH 4.8E+0012 0.000 19000.0 ! ??? 7757 .C8H13O#5OHOOH=>.OOC8H14O#5OH 4.8E+0012 0.000 19000.0 ! ??? 7758 .C8H13O#6OHOOH=>.OOC8H14O#6OH 4.8E+0012 0.000 19000.0 ! ??? 7759 !Addition of oxygen on cyclo-peroxy radicals .C8H12OZ#4OOH+O2=>.OOC8H12OZ#4OOH 3.0E+0019 -2.500 0.0 ! ??? 7760 .C8H12O#4OOHZ+O2=>.OOC8H12O#4OOHZ 3.0E+0019 -2.500 0.0 ! ??? 7761 .C8H12O#5OOHZ+O2=>.OOC8H12O#5OOHZ 3.0E+0019 -2.500 0.0 ! ??? 7762 .C8H12O#6OOHZ+O2=>.OOC8H12O#6OOHZ 3.0E+0019 -2.500 0.0 ! ??? 7763 .C8H12OZ#5OOH+O2=>.OOC8H12OZ#5OOH 3.0E+0019 -2.500 0.0 ! ??? 7764 .C8H12OZ#6OOH+O2=>.OOC8H12OZ#6OOH 3.0E+0019 -2.500 0.0 ! ??? 7765 .C8H14O#4OOH+O2=>.OOC8H14O#4OOH 3.0E+0019 -2.500 0.0 ! ??? 7766 .C8H14O#5OOH+O2=>.OOC8H14O#5OOH 3.0E+0019 -2.500 0.0 ! ??? 7767 .C8H14O#6OOH+O2=>.OOC8H14O#6OOH 3.0E+0019 -2.500 0.0 ! ??? 7768 .C8H13O#4OHOOH+O2=>.OOC8H13O#4OHOOH 3.0E+0019 -2.500 0.0 ! ??? 7769 .C8H13O#5OHOOH+O2=>.OOC8H13O#5OHOOH 3.0E+0019 -2.500 0.0 ! ??? 7770 .C8H13O#6OHOOH+O2=>.OOC8H13O#6OHOOH 3.0E+0019 -2.500 0.0 ! ??? 7771 .OOC8H12OZ#4OOH=>.C8H12OZ#4OOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7772 .OOC8H12O#4OOHZ=>.C8H12O#4OOHZ+O2 5.0E+0022 -2.500 40000.0 ! ??? 7773 .OOC8H12O#5OOHZ=>.C8H12O#5OOHZ+O2 5.0E+0022 -2.500 40000.0 ! ??? 7774 .OOC8H12O#6OOHZ=>.C8H12O#6OOHZ+O2 5.0E+0022 -2.500 40000.0 ! ??? 7775 .OOC8H12OZ#5OOH=>.C8H12OZ#5OOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7776 .OOC8H12OZ#6OOH=>.C8H12OZ#6OOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7777 .OOC8H14O#4OOH=>.C8H14O#4OOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7778 .OOC8H14O#5OOH=>.C8H14O#5OOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7779 .OOC8H14O#6OOH=>.C8H14O#6OOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7780 .OOC8H13O#4OHOOH=>.C8H13O#4OHOOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7781 .OOC8H13O#5OHOOH=>.C8H13O#5OHOOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7782 .OOC8H13O#6OHOOH=>.C8H13O#6OHOOH+O2 5.0E+0022 -2.500 40000.0 ! ??? 7783 ! Formation of cyclo-ether ketohydroperoxydes .OOC8H12OZ#4OOH=>R2OH+C7H11OZ#4COOOH 1.0E+0009 0.000 7500.0 ! ??? 7784 .OOC8H12O#4OOHZ=>R2OH+C7H11O#4COOOHZ 1.0E+0009 0.000 7500.0 ! ??? 7785 .OOC8H12O#5OOHZ=>R2OH+C7H11O#5COOOHZ 1.0E+0009 0.000 7500.0 ! ??? 7786 .OOC8H12O#6OOHZ=>R2OH+C7H11O#6COOOHZ 1.0E+0009 0.000 7500.0 ! ??? 7787 .OOC8H12OZ#5OOH=>R2OH+C7H11OZ#5COOOH 1.0E+0009 0.000 7500.0 ! ??? 7788 .OOC8H12OZ#6OOH=>R2OH+C7H11OZ#6COOOH 1.0E+0009 0.000 7500.0 ! ??? 7789 .OOC8H14O#4OOH=>R2OH+C7H13O#4COOOH 1.0E+0009 0.000 7500.0 ! ??? 7790 .OOC8H14O#5OOH=>R2OH+C7H13O#5COOOH 1.0E+0009 0.000 7500.0 ! ??? 7791 .OOC8H14O#6OOH=>R2OH+C7H13O#6COOOH 1.0E+0009 0.000 7500.0 ! ??? 7792 .OOC8H13O#4OHOOH=>R2OH+C7H12O#4OHCOOOH 1.0E+0009 0.000 7500.0 ! ??? 7793 .OOC8H13O#5OHOOH=>R2OH+C7H12O#5OHCOOOH 1.0E+0009 0.000 7500.0 ! ??? 7794 .OOC8H13O#6OHOOH=>R2OH+C7H12O#6OHCOOOH 1.0E+0009 0.000 7500.0 ! ??? 7795 ! Decomposition of cyclo-ether ketohydroperoxydes C7H13O#4COOOH=>R2OH+CO2+R5CHO+3C2H4Z 4.00E+15 0.0 42900.0 ! ??? 7796 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H13O#5COOOH=>R2OH+CO2+R5CHO+3C2H4Z 4.00E+15 0.0 42900.0 ! ??? 7797 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H13O#6COOOH=>R2OH+CO2+R5CHO+3C2H4Z 4.00E+15 0.0 42900.0 ! ??? 7798 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H12O#4OHCOOOH=>R2OH+R5CHO+CO2+CH3CHO+2C2H4Z 4.00E+15 0.0 42900.0 ! ??? 7799 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H12O#5OHCOOOH=>R2OH+R5CHO+CO2+CH3CHO+2C2H4Z 4.00E+15 0.0 42900.0 ! ??? 7800 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ C7H12O#6OHCOOOH=>R2OH+R5CHO+CO2+CH3CHO+2C2H4Z 4.00E+15 0.0 42900.0 ! ??? 7801 PLOG/ 1 4.00E+15 0.0 42900.0/ PLOG/ 10 1.5E+0016 0.000 42000.0/ ! Olefin reactions ! addition of H and CH3 on olefins C6H12Z+R1H=>C2H4Z+R4CH3+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7802 C6H12Z+R4CH3=>C2H4Z+R4CH3+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7803 C6H12Z+R4CH3=>C2H4Z+R11C2H5+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7804 !C5H10Z+R1H=>R11C2H5+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7805 !C5H10Z+R4CH3=>R11C2H5+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7806 !C5H10Z+R4CH3=>C2H4Z+R4CH3+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7807 C7H14Z+R1H=>C2H4Z+R11C2H5+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7808 C7H14Z+R4CH3=>C2H4Z+R11C2H5+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7809 C7H14Z+R4CH3=>2C2H4Z+R4CH3+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7810 C9H18Z+R1H=>2C2H4Z+R11C2H5+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7811 C9H18Z+R4CH3=>2C2H4Z+R11C2H5+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7812 C9H18Z+R4CH3=>3C2H4Z+R4CH3+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7813 C9H18Y+R1H=>2C2H4Z+R11C2H5+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7814 C9H18Y+R4CH3=>2C2H4Z+R11C2H5+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7815 C9H18Y+R4CH3=>3C2H4Z+R4CH3+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7816 C5H10Y+R1H=>R11C2H5+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7817 C5H10Y+R4CH3=>R11C2H5+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7818 C5H10Y+R4CH3=>C2H4Z+R4CH3+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7819 C6H12Y+R1H=>C2H4Z+R4CH3+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7820 C6H12Y+R4CH3=>C2H4Z+R4CH3+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7821 C6H12Y+R4CH3=>C2H4Z+R11C2H5+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7822 C7H14Y+R1H=>C2H4Z+R11C2H5+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7823 C7H14Y+R4CH3=>C2H4Z+R11C2H5+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7824 C7H14Y+R4CH3=>2C2H4Z+R4CH3+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7825 C16H32Z+R1H=>6C2H4Z+R4CH3+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7826 C16H32Z+R4CH3=>6C2H4Z+R4CH3+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7827 C16H32Z+R4CH3=>6C2H4Z+R11C2H5+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7828 C10H20Z+R1H=>3C2H4Z+R4CH3+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7829 C10H20Z+R4CH3=>3C2H4Z+R4CH3+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7830 C10H20Z+R4CH3=>3C2H4Z+R11C2H5+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7831 C11H22Z+R1H=>3C2H4Z+R11C2H5+C3H6Y 7.2E+0012 0.000 1300.0 ! ROL 7832 C11H22Z+R4CH3=>3C2H4Z+R11C2H5+C4H8Y 1.7E+0011 0.000 7400.0 ! ROL 7833 C11H22Z+R4CH3=>4C2H4Z+R4CH3+C3H6Y 9.6E+0010 0.000 8000.0 ! ROL 7834 C3H6Y+R1H=>C2H4Z+R4CH3 7.2E+0012 0.000 2900.0 ! ROL 7835 C4H8Y+R1H=>C2H4Z+R11C2H5 7.2E+0012 0.000 2900.0 ! ROL 7836 C6H12Z+R1H=>2C2H4Z+R11C2H5 7.2E+0012 0.000 2900.0 ! ROL 7837 !C5H10Z+R1H=>2C2H4Z+R4CH3 7.2E+0012 0.000 2900.0 ! ROL 7838 C7H14Z+R1H=>3C2H4Z+R4CH3 7.2E+0012 0.000 2900.0 ! ROL 7839 C9H18Z+R1H=>4C2H4Z+R4CH3 7.2E+0012 0.000 2900.0 ! ROL 7840 C9H18Y+R1H=>4C2H4Z+R4CH3 7.2E+0012 0.000 2900.0 ! ROL 7841 C5H10Y+R1H=>2C2H4Z+R4CH3 7.2E+0012 0.000 2900.0 ! ROL 7842 C6H12Y+R1H=>2C2H4Z+R11C2H5 7.2E+0012 0.000 2900.0 ! ROL 7843 C7H14Y+R1H=>3C2H4Z+R4CH3 7.2E+0012 0.000 2900.0 ! ROL 7844 C16H32Z+R1H=>7C2H4Z+R11C2H5 7.2E+0012 0.000 2900.0 ! ROL 7845 C10H20Z+R1H=>4C2H4Z+R11C2H5 7.2E+0012 0.000 2900.0 ! ROL 7846 C11H22Z+R1H=>5C2H4Z+R4CH3 7.2E+0012 0.000 2900.0 ! ROL 7847 ! addition of OH on olefins !C3H6Y+R2OH=>R4CH3+CH3CHO 1.4E+0012 0.000 -900.0 ! ALD 7848 !C4H8Y+R2OH=>R4CH3+C2H5CHO 1.4E+0012 0.000 -900.0 ! ALD 7849 !C6H12Z+R2OH=>R4CH3+C4H9CHO 1.4E+0012 0.000 -900.0 ! ALD 7850 !C5H10Z+R2OH=>R4CH3+C3H7CHO 1.4E+0012 0.000 -900.0 ! ALD 7851 !C7H14Z+R2OH=>R4CH3+C5H11CHO 1.4E+0012 0.000 -900.0 ! ALD 7852 !C9H18Z+R2OH=>R4CH3+C7H15CHO 1.4E+0012 0.000 -900.0 ! ALD 7853 !C9H18Y+R2OH=>R4CH3+C7H15CHO 1.4E+0012 0.000 -900.0 ! ALD 7854 !C5H10Y+R2OH=>R4CH3+C3H7CHO 1.4E+0012 0.000 -900.0 ! ALD 7855 !C6H12Y+R2OH=>R4CH3+C4H9CHO 1.4E+0012 0.000 -900.0 ! ALD 7856 !C7H14Y+R2OH=>R4CH3+C5H11CHO 1.4E+0012 0.000 -900.0 ! ALD 7857 !C16H32Z+R2OH=>R4CH3+C14H29CHO 1.4E+0012 0.000 -900.0 ! ALD 7858 !C10H20Z+R2OH=>R4CH3+C8H17CHO 1.4E+0012 0.000 -900.0 ! ALD 7859 !C11H22Z+R2OH=>R4CH3+C9H19CHO 1.4E+0012 0.000 -900.0 ! ALD 7860 !Bimolecular Vinyl alcohol + CH3 Ref:!Zador PCCP., 2009, 11, 11040–11053 C3H6Y+R2OH=>R4CH3+CH3CHO 8.73E+0020 -2.350 11290.0 ! ALD 3222 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C3H6Y+R2OH=>R4CH3+CH3CHO 1.13E+0004 2.500 3238.0 ! ALD 3222 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C4H8Y+R2OH=>R4CH3+C2H5CHO 8.73E+0020 -2.350 11290.0 ! ALD 3223 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C4H8Y+R2OH=>R4CH3+C2H5CHO 1.13E+0004 2.500 3238.0 ! ALD 3223 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C6H12Z+R2OH=>R4CH3+C4H9CHO 8.73E+0020 -2.350 11290.0 ! ALD 3224 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C6H12Z+R2OH=>R4CH3+C4H9CHO 1.13E+0004 2.500 3238.0 ! ALD 3224 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C5H10Z+R2OH=>R4CH3+C3H7CHO 8.73E+0020 -2.350 11290.0 ! ALD 3224 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C5H10Z+R2OH=>R4CH3+C3H7CHO 1.13E+0004 2.500 3238.0 ! ALD 3224 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C7H14Z+R2OH=>R4CH3+C5H11CHO 8.73E+0020 -2.350 11290.0 ! ALD 3225 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C7H14Z+R2OH=>R4CH3+C5H11CHO 1.13E+0004 2.500 3238.0 ! ALD 3225 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C9H18Z+R2OH=>R4CH3+C7H15CHO 8.73E+0020 -2.350 11290.0 ! ALD 3230 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C9H18Z+R2OH=>R4CH3+C7H15CHO 1.13E+0004 2.500 3238.0 ! ALD 3230 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C9H18Y+R2OH=>R4CH3+C7H15CHO 8.73E+0020 -2.350 11290.0 ! ALD 3230 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C9H18Y+R2OH=>R4CH3+C7H15CHO 1.13E+0004 2.500 3238.0 ! ALD 3230 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C5H10Y+R2OH=>R4CH3+C3H7CHO 8.73E+0020 -2.350 11290.0 ! ALD 3227 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C5H10Y+R2OH=>R4CH3+C3H7CHO 1.13E+0004 2.500 3238.0 ! ALD 3227 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C6H12Y+R2OH=>R4CH3+C4H9CHO 8.73E+0020 -2.350 11290.0 ! ALD 3224 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C6H12Y+R2OH=>R4CH3+C4H9CHO 1.13E+0004 2.500 3238.0 ! ALD 3224 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C7H14Y+R2OH=>R4CH3+C5H11CHO 8.73E+0020 -2.350 11290.0 ! ALD 3226 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C7H14Y+R2OH=>R4CH3+C5H11CHO 1.13E+0004 2.500 3238.0 ! ALD 3226 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C16H32Z+R2OH=>R4CH3+C14H29CHO 8.73E+0020 -2.350 11290.0 ! ALD 3231 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C16H32Z+R2OH=>R4CH3+C14H29CHO 1.13E+0004 2.500 3238.0 ! ALD 3231 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C10H20Z+R2OH=>R4CH3+C8H17CHO 8.73E+0020 -2.350 11290.0 ! ALD 3231 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C10H20Z+R2OH=>R4CH3+C8H17CHO 1.13E+0004 2.500 3238.0 ! ALD 3231 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C11H22Z+R2OH=>R4CH3+C9H19CHO 8.73E+0020 -2.350 11290.0 ! ALD 3231 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C11H22Z+R2OH=>R4CH3+C9H19CHO 1.13E+0004 2.500 3238.0 ! ALD 3231 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE !C3H6Y+R2OH=>HCHO+R11C2H5 1.4E+0012 0.000 -900.0 ! FOH 7861 !C4H8Y+R2OH=>HCHO+R4CH3+C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7862 !C6H12Z+R2OH=>HCHO+R4CH3+2C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7863 !C5H10Z+R2OH=>HCHO+R11C2H5+C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7864 !C7H14Z+R2OH=>HCHO+R11C2H5+2C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7865 !C9H18Z+R2OH=>HCHO+R11C2H5+3C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7866 !C9H18Y+R2OH=>HCHO+R11C2H5+3C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7867 !C5H10Y+R2OH=>HCHO+R11C2H5+C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7868 !C6H12Y+R2OH=>HCHO+R4CH3+2C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7869 !C7H14Y+R2OH=>HCHO+R11C2H5+2C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7870 !C16H32Z+R2OH=>HCHO+R4CH3+7C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7871 !C10H20Z+R2OH=>HCHO+R4CH3+4C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7872 !C11H22Z+R2OH=>HCHO+R11C2H5+4C2H4Z 1.4E+0012 0.000 -900.0 ! FOH 7873 !Bimolecular Vinyl alcohol + CH3 Ref:!Zador PCCP., 2009, 11, 11040–11053 C3H6Y+R2OH=>HCHO+R11C2H5 8.73E+0020 -2.350 11290.0 ! ALD 3222 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C3H6Y+R2OH=>HCHO+R11C2H5 1.13E+0004 2.500 3238.0 ! ALD 3222 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C4H8Y+R2OH=>HCHO+R4CH3+C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3223 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C4H8Y+R2OH=>HCHO+R4CH3+C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3223 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C6H12Z+R2OH=>HCHO+R4CH3+2C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3224 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C6H12Z+R2OH=>HCHO+R4CH3+2C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3224 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C5H10Z+R2OH=>HCHO+R11C2H5+C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3224 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C5H10Z+R2OH=>HCHO+R11C2H5+C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3224 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C7H14Z+R2OH=>HCHO+R11C2H5+2C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3225 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C7H14Z+R2OH=>HCHO+R11C2H5+2C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3225 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C9H18Z+R2OH=>HCHO+R11C2H5+3C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3230 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C9H18Z+R2OH=>HCHO+R11C2H5+3C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3230 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C9H18Y+R2OH=>HCHO+R11C2H5+3C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3230 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C9H18Y+R2OH=>HCHO+R11C2H5+3C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3230 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C5H10Y+R2OH=>HCHO+R11C2H5+C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3227 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C5H10Y+R2OH=>HCHO+R11C2H5+C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3227 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C6H12Y+R2OH=>HCHO+R4CH3+2C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3224 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C6H12Y+R2OH=>HCHO+R4CH3+2C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3224 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C7H14Y+R2OH=>HCHO+R11C2H5+2C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3226 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C7H14Y+R2OH=>HCHO+R11C2H5+2C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3226 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C16H32Z+R2OH=>HCHO+R4CH3+7C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3231 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C16H32Z+R2OH=>HCHO+R4CH3+7C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3231 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C10H20Z+R2OH=>HCHO+R4CH3+4C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3231 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C10H20Z+R2OH=>HCHO+R4CH3+4C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3231 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE C11H22Z+R2OH=>HCHO+R11C2H5+4C2H4Z 8.73E+0020 -2.350 11290.0 ! ALD 3231 PLOG/ 0.0013 6.680E+007 1.420 2708.0/ PLOG/ 0.0100 3.760E+008 1.210 3068.0/ PLOG/ 0.0130 1.200E+009 1.060 3326.0/ PLOG/ 0.0250 1.630E+010 0.720 3950.0/ PLOG/ 0.1000 2.090E+012 0.130 5407.0/ PLOG/ 0.1315 5.130E+012 0.020 5723.0/ PLOG/ 1.0000 8.730E+020 -2.350 11290.0/ PLOG/ 10.0000 2.270E-002 4.030 1952.0/ PLOG/ 100.0000 6.500E+022 -2.580 19256.0/ DUPLICATE C11H22Z+R2OH=>HCHO+R11C2H5+4C2H4Z 1.13E+0004 2.500 3238.0 ! ALD 3231 PLOG/ 0.0013 1.290E+006 1.650 1233.0/ PLOG/ 0.0100 1.820E+004 2.100 1162.0/ PLOG/ 0.0130 2.040E+003 2.480 1128.0/ PLOG/ 0.0250 2.880E+002 2.800 1152.0/ PLOG/ 0.1000 1.400E+001 3.210 1208.0/ PLOG/ 0.1315 7.710E+000 3.290 1216.0/ PLOG/ 1.0000 1.130E+004 2.500 3238.0/ PLOG/ 10.0000 2.410E+019 -1.740 13107.0/ PLOG/ 100.0000 3.300E-001 3.700 3665.0/ DUPLICATE ! addition of O on olefins C3H6Y+B1O=>CH2COZ+R4CH3+R1H 3.4E+0007 1.830 550.0 ! AOZ 7874 C4H8Y+B1O=>CH2COZ+R11C2H5+R1H 3.4E+0007 1.830 550.0 ! AOZ 7874 C6H12Z+B1O=>CH2COZ+R11C2H5+R1H+C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 !C5H10Z+B1O=>CH2COZ+R4CH3+R1H+C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C7H14Z+B1O=>CH2COZ+R4CH3+R1H+2C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C9H18Z+B1O=>CH2COZ+R4CH3+R1H+3C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C9H18Y+B1O=>CH2COZ+R4CH3+R1H+3C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C5H10Y+B1O=>CH2COZ+R4CH3+R1H+C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C6H12Y+B1O=>CH2COZ+R11C2H5+R1H+C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C7H14Y+B1O=>CH2COZ+R4CH3+R1H+2C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C16H32Z+B1O=>CH2COZ+R11C2H5+R1H+6C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C10H20Z+B1O=>CH2COZ+R11C2H5+R1H+3C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 C11H22Z+B1O=>CH2COZ+R4CH3+R1H+4C2H4Z 3.4E+0007 1.830 550.0 ! AOZ 7874 ! retroene reactions C8H16Z=>C3H6Y+C5H10Z 8.0E+0012 0.000 56500.0 ! RTZ 10156 C6H12Z=>C3H6Y+C3H6Y 8.0E+0012 0.000 56500.0 ! RTZ 10157 C5H10Z=>C3H6Y+C2H4Z 8.0E+0012 0.000 56500.0 ! RTZ 10158 C7H14Z=>C3H6Y+C4H8Y 8.0E+0012 0.000 56500.0 ! RTZ 10159 C9H18Z=>C3H6Y+C6H12Z 8.0E+0012 0.000 56500.0 ! RTZ 10160 C9H18Y=>C3H6Y+C6H12Z 8.0E+0012 0.000 56500.0 ! RTZ 10161 C5H10Y=>C3H6Y+C2H4Z 8.0E+0012 0.000 56500.0 ! RTZ 10162 C6H12Y=>C3H6Y+C3H6Y 8.0E+0012 0.000 56500.0 ! RTZ 10163 C7H14Y=>C3H6Y+C4H8Y 8.0E+0012 0.000 56500.0 ! RTZ 10164 !C16H32Z=>C3H6Y+C13H26Z 8.0E+0012 0.000 56500.0 ! RTZ 10165 C10H20Z=>C3H6Y+C7H14Z 8.0E+0012 0.000 56500.0 ! RTZ 10166 C11H22Z=>C3H6Y+C8H16Z 8.0E+0012 0.000 56500.0 ! RTZ 10167 !C12H24Z=>C3H6Y+C9H18Z 8.0E+0012 0.000 56500.0 ! RTZ 10168 !C13H26Z=>C3H6Y+C10H20Z 8.0E+0012 0.000 56500.0 ! RTZ 10169 C14H28Z=>C3H6Y+C11H22Z 8.0E+0012 0.000 56500.0 ! RTZ 10170 ! addition of OOH on olefins C3H6Y+R3OOH=>R2OH+C3H6O#3 1.0E+0012 0.000 14400.0 ! FCY 7874 C4H8Y+R3OOH=>R2OH+C4H8O#3 1.0E+0012 0.000 14400.0 ! FCY 7875 C6H12Z+R3OOH=>R2OH+C6H12O#3 1.0E+0012 0.000 14400.0 ! FCY 7876 C5H10Z+R3OOH=>R2OH+C5H10O#3 1.0E+0012 0.000 14400.0 ! FCY 7877 C7H14Z+R3OOH=>R2OH+C7H14O#3 1.0E+0012 0.000 14400.0 ! FCY 7878 C9H18Z+R3OOH=>R2OH+C9H18O#3 1.0E+0012 0.000 14400.0 ! FCY 7879 C9H18Y+R3OOH=>R2OH+C9H18O#3 1.0E+0012 0.000 14400.0 ! FCY 7880 C5H10Y+R3OOH=>R2OH+C5H10O#3 1.0E+0012 0.000 14400.0 ! FCY 7881 C6H12Y+R3OOH=>R2OH+C6H12O#3 1.0E+0012 0.000 14400.0 ! FCY 7882 C7H14Y+R3OOH=>R2OH+C7H14O#3 1.0E+0012 0.000 14400.0 ! FCY 7883 C16H32Z+R3OOH=>R2OH+C16H32O#3 1.0E+0012 0.000 14400.0 ! FCY 7884 C10H20Z+R3OOH=>R2OH+C10H20O#3 1.0E+0012 0.000 14400.0 ! FCY 7885 C11H22Z+R3OOH=>R2OH+C11H22O#3 1.0E+0012 0.000 14400.0 ! FCY 7886 ! olefin to dienes C6H12Z+R1H=>H2+C4H6Z2+R11C2H5 1.7E+0005 2.500 2490.0 ! FZZ 7887 C6H12Z+R2OH=>H2O+C4H6Z2+R11C2H5 3.1E+0006 2.000 -300.0 ! FZZ 7888 C6H12Z+R3OOH=>H2O2+C4H6Z2+R11C2H5 9.6E+0003 2.600 13900.0 ! FZZ 7889 C6H12Z+R4CH3=>CH4+C4H6Z2+R11C2H5 2.2E+0000 3.500 5675.0 ! FZZ 7890 C6H12Z+R8CH3OO=>CH3OOH+C4H6Z2+R11C2H5 2.2E+0000 3.500 5675.0 ! FZZ 7891 C6H12Z+R11C2H5=>C2H6+C4H6Z2+R11C2H5 2.2E+0000 3.500 6835.0 ! FZZ 7892 !C5H10Z+R1H=>H2+C4H6Z2+R4CH3 1.7E+0005 2.500 2490.0 ! FZZ 7893 !C5H10Z+R2OH=>H2O+C4H6Z2+R4CH3 3.1E+0006 2.000 -300.0 ! FZZ 7894 !C5H10Z+R3OOH=>H2O2+C4H6Z2+R4CH3 9.6E+0003 2.600 13900.0 ! FZZ 7895 !C5H10Z+R4CH3=>CH4+C4H6Z2+R4CH3 2.2E+0000 3.500 5675.0 ! FZZ 7896 !C5H10Z+R8CH3OO=>CH3OOH+C4H6Z2+R4CH3 2.2E+0000 3.500 5675.0 ! FZZ 7897 !C5H10Z+R11C2H5=>C2H6+C4H6Z2+R4CH3 2.2E+0000 3.500 6835.0 ! FZZ 7898 C7H14Z+R1H=>H2+C4H6Z2+C2H4Z+R4CH3 1.7E+0005 2.500 2490.0 ! FZZ 7899 C7H14Z+R2OH=>H2O+C4H6Z2+C2H4Z+R4CH3 3.1E+0006 2.000 -300.0 ! FZZ 7900 C7H14Z+R3OOH=>H2O2+C4H6Z2+C2H4Z+R4CH3 9.6E+0003 2.600 13900.0 ! FZZ 7901 C7H14Z+R4CH3=>CH4+C4H6Z2+C2H4Z+R4CH3 2.2E+0000 3.500 5675.0 ! FZZ 7902 C7H14Z+R8CH3OO=>CH3OOH+C4H6Z2+C2H4Z+R4CH3 2.2E+0000 3.500 5675.0 ! FZZ 7903 C7H14Z+R11C2H5=>C2H6+C4H6Z2+C2H4Z+R4CH3 2.2E+0000 3.500 6835.0 ! FZZ 7904 C9H18Z+R1H=>H2+C4H6Z2+2C2H4Z+R4CH3 1.7E+0005 2.500 2490.0 ! FZZ 7905 C9H18Z+R2OH=>H2O+C4H6Z2+2C2H4Z+R4CH3 3.1E+0006 2.000 -300.0 ! FZZ 7906 C9H18Z+R3OOH=>H2O2+C4H6Z2+2C2H4Z+R4CH3 9.6E+0003 2.600 13900.0 ! FZZ 7907 C9H18Z+R4CH3=>CH4+C4H6Z2+2C2H4Z+R4CH3 2.2E+0000 3.500 5675.0 ! FZZ 7908 C9H18Z+R8CH3OO=>CH3OOH+C4H6Z2+2C2H4Z+R4CH3 2.2E+0000 3.500 5675.0 ! FZZ 7909 C9H18Z+R11C2H5=>C2H6+C4H6Z2+2C2H4Z+R4CH3 2.2E+0000 3.500 6835.0 ! FZZ 7910 C16H32Z+R1H=>H2+C4H6Z2+5C2H4Z+R11C2H5 1.7E+0005 2.500 2490.0 ! FZZ 7911 C16H32Z+R2OH=>H2O+C4H6Z2+5C2H4Z+R11C2H5 3.1E+0006 2.000 -300.0 ! FZZ 7912 C16H32Z+R3OOH=>H2O2+C4H6Z2+5C2H4Z+R11C2H5 9.6E+0003 2.600 13900.0 ! FZZ 7913 C16H32Z+R4CH3=>CH4+C4H6Z2+5C2H4Z+R11C2H5 2.2E+0000 3.500 5675.0 ! FZZ 7914 C16H32Z+R8CH3OO=>CH3OOH+C4H6Z2+5C2H4Z+R11C2H5 2.2E+0000 3.500 5675.0 ! FZZ 7915 C16H32Z+R11C2H5=>C2H6+C4H6Z2+5C2H4Z+R11C2H5 2.2E+0000 3.500 6835.0 ! FZZ 7916 C10H20Z+R1H=>H2+C4H6Z2+2C2H4Z+R11C2H5 1.7E+0005 2.500 2490.0 ! FZZ 7917 C10H20Z+R2OH=>H2O+C4H6Z2+2C2H4Z+R11C2H5 3.1E+0006 2.000 -300.0 ! FZZ 7918 C10H20Z+R3OOH=>H2O2+C4H6Z2+2C2H4Z+R11C2H5 9.6E+0003 2.600 13900.0 ! FZZ 7919 C10H20Z+R4CH3=>CH4+C4H6Z2+2C2H4Z+R11C2H5 2.2E+0000 3.500 5675.0 ! FZZ 7920 C10H20Z+R8CH3OO=>CH3OOH+C4H6Z2+2C2H4Z+R11C2H5 2.2E+0000 3.500 5675.0 ! FZZ 7921 C10H20Z+R11C2H5=>C2H6+C4H6Z2+2C2H4Z+R11C2H5 2.2E+0000 3.500 6835.0 ! FZZ 7922 C11H22Z+R1H=>H2+C4H6Z2+3C2H4Z+R4CH3 1.7E+0005 2.500 2490.0 ! FZZ 7923 C11H22Z+R2OH=>H2O+C4H6Z2+3C2H4Z+R4CH3 3.1E+0006 2.000 -300.0 ! FZZ 7924 C11H22Z+R3OOH=>H2O2+C4H6Z2+3C2H4Z+R4CH3 9.6E+0003 2.600 13900.0 ! FZZ 7925 C11H22Z+R4CH3=>CH4+C4H6Z2+3C2H4Z+R4CH3 2.2E+0000 3.500 5675.0 ! FZZ 7926 C11H22Z+R8CH3OO=>CH3OOH+C4H6Z2+3C2H4Z+R4CH3 2.2E+0000 3.500 5675.0 ! FZZ 7927 C11H22Z+R11C2H5=>C2H6+C4H6Z2+3C2H4Z+R4CH3 2.2E+0000 3.500 6835.0 ! FZZ 7928 C6H12Z+B1O=>R2OH+C4H6Z2+R11C2H5 6.0E+0010 0.700 7682.0 ! FZZ 7929 !C5H10Z+B1O=>R2OH+C4H6Z2+R4CH3 6.0E+0010 0.700 7682.0 ! FZZ 7930 C7H14Z+B1O=>R2OH+C4H6Z2+C2H4Z+R4CH3 6.0E+0010 0.700 7682.0 ! FZZ 7931 C9H18Z+B1O=>R2OH+C4H6Z2+2C2H4Z+R4CH3 6.0E+0010 0.700 7682.0 ! FZZ 7932 C16H32Z+B1O=>R2OH+C4H6Z2+5C2H4Z+R11C2H5 6.0E+0010 0.700 7682.0 ! FZZ 7933 C10H20Z+B1O=>R2OH+C4H6Z2+2C2H4Z+R11C2H5 6.0E+0010 0.700 7682.0 ! FZZ 7934 C11H22Z+B1O=>R2OH+C4H6Z2+3C2H4Z+R4CH3 6.0E+0010 0.700 7682.0 ! FZZ 7935 ! Metathesis with YH C3H6Y+R1H=>R25C3H5Y+H2 5.7E+0004 2.500 290.0 ! MES 7936 !C3H6Y+R2OH=>R25C3H5Y+H2O 3.0E+0006 2.000 -1515.0 ! MES 7937 !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C3H6Y+R2OH=>R25C3H5Y+H2O 1.95E+0005 2.500 729.3 ! MES 7937 C3H6Y+R3OOH=>R25C3H5Y+H2O2 6.3E+0003 2.600 12400.0 ! MES 7938 C3H6Y+R4CH3=>R25C3H5Y+CH4 1.3E+0000 3.500 3575.0 ! MES 7939 C3H6Y+R8CH3OO=>R25C3H5Y+CH3OOH 2.0E+0012 0.000 17050.0 ! MES 7940 C3H6Y+R11C2H5=>R25C3H5Y+C2H6 1.4E+0000 3.500 4335.0 ! MES 7941 !C4H8Y+R1H=>R1115C4H7Y+H2 5.7E+0004 2.500 290.0 ! MES 7942 !Ref Mehl et al. PCI 33 (2011) 193–200 C4H8Y+R1H=>R1115C4H7Y+H2 3.376E+05 2.360 207.0 ! MES 7942 !C4H8Y+R2OH=>R1115C4H7Y+H2O 3.0E+0006 2.000 -1515.0 ! MES 7943 !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C4H8Y+R2OH=>R1115C4H7Y+H2O 1.95E+0005 2.500 729.3 ! MES 7943 C4H8Y+R3OOH=>R1115C4H7Y+H2O2 6.3E+0003 2.600 12400.0 ! MES 7944 C4H8Y+R4CH3=>R1115C4H7Y+CH4 1.3E+0000 3.500 3575.0 ! MES 7945 C4H8Y+R8CH3OO=>R1115C4H7Y+CH3OOH 2.0E+0012 0.000 17050.0 ! MES 7946 C4H8Y+R11C2H5=>R1115C4H7Y+C2H6 1.4E+0000 3.500 4335.0 ! MES 7947 C9H18Y+R1H=>RC9H17Y+H2 5.7E+0004 2.500 290.0 ! MES 7948 !C9H18Y+R2OH=>RC9H17Y+H2O 3.0E+0006 2.000 -1515.0 ! MES 7949 !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C9H18Y+R2OH=>RC9H17Y+H2O 1.95E+0005 2.500 729.3 ! MES 7949 C9H18Y+R3OOH=>RC9H17Y+H2O2 6.3E+0003 2.600 12400.0 ! MES 7950 C9H18Y+R4CH3=>RC9H17Y+CH4 1.3E+0000 3.500 3575.0 ! MES 7951 C9H18Y+R8CH3OO=>RC9H17Y+CH3OOH 2.0E+0012 0.000 17050.0 ! MES 7952 C9H18Y+R11C2H5=>RC9H17Y+C2H6 1.4E+0000 3.500 4335.0 ! MES 7953 C5H10Y+R1H=>R1498C5H9Y+H2 5.7E+0004 2.500 290.0 ! MES 7954 !C5H10Y+R2OH=>R1498C5H9Y+H2O 3.0E+0006 2.000 -1515.0 ! MES 7955 !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C5H10Y+R2OH=>R1498C5H9Y+H2O 1.95E+0005 2.500 729.3 ! MES 7955 C5H10Y+R3OOH=>R1498C5H9Y+H2O2 6.3E+0003 2.600 12400.0 ! MES 7956 C5H10Y+R4CH3=>R1498C5H9Y+CH4 1.3E+0000 3.500 3575.0 ! MES 7957 C5H10Y+R8CH3OO=>R1498C5H9Y+CH3OOH 2.0E+0012 0.000 17050.0 ! MES 7958 C5H10Y+R11C2H5=>R1498C5H9Y+C2H6 1.4E+0000 3.500 4335.0 ! MES 7959 C6H12Y+R1H=>RC6H11Y+H2 5.7E+0004 2.500 290.0 ! MES 7960 !C6H12Y+R2OH=>RC6H11Y+H2O 3.0E+0006 2.000 -1515.0 ! MES 7961 !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C6H12Y+R2OH=>RC6H11Y+H2O 1.95E+0005 2.500 729.3 ! MES 7961 C6H12Y+R3OOH=>RC6H11Y+H2O2 6.3E+0003 2.600 12400.0 ! MES 7962 C6H12Y+R4CH3=>RC6H11Y+CH4 1.3E+0000 3.500 3575.0 ! MES 7963 C6H12Y+R8CH3OO=>RC6H11Y+CH3OOH 2.0E+0012 0.000 17050.0 ! MES 7964 C6H12Y+R11C2H5=>RC6H11Y+C2H6 1.4E+0000 3.500 4335.0 ! MES 7965 C7H14Y+R1H=>RC7H13Y+H2 5.7E+0004 2.500 290.0 ! MES 7966 !C7H14Y+R2OH=>RC7H13Y+H2O 3.0E+0006 2.000 -1515.0 ! MES 7967 !H abstration by OH Para Ref:Zador Phys. Chem. Chem. Phys., 2009, 11, 11040–11053 C7H14Y+R2OH=>RC7H13Y+H2O 1.95E+0005 2.500 729.3 ! MES 7967 C7H14Y+R3OOH=>RC7H13Y+H2O2 6.3E+0003 2.600 12400.0 ! MES 7968 C7H14Y+R4CH3=>RC7H13Y+CH4 1.3E+0000 3.500 3575.0 ! MES 7969 C7H14Y+R8CH3OO=>RC7H13Y+CH3OOH 2.0E+0012 0.000 17050.0 ! MES 7970 C7H14Y+R11C2H5=>RC7H13Y+C2H6 1.4E+0000 3.500 4335.0 ! MES 7971 C3H6Y+B1O=>R25C3H5Y+R2OH 9.1E+0010 0.700 3830.0 ! MES 7972 C4H8Y+B1O=>R1115C4H7Y+R2OH 9.1E+0010 0.700 3830.0 ! MES 7973 C9H18Y+B1O=>RC9H17Y+R2OH 9.1E+0010 0.700 3830.0 ! MES 7974 C5H10Y+B1O=>R1498C5H9Y+R2OH 9.1E+0010 0.700 3830.0 ! MES 7975 C6H12Y+B1O=>RC6H11Y+R2OH 9.1E+0010 0.700 3830.0 ! MES 7976 C7H14Y+B1O=>RC7H13Y+R2OH 9.1E+0010 0.700 3830.0 ! MES 7977 ! Addition of .Y on YH RC7H13Y+C7H14Y=>R10C2H3V+6C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7978 RC7H13Y+C6H12Y=>R4CH3+C2H2T+5C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7979 RC7H13Y+C5H10Y=>R10C2H3V+5C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7980 RC7H13Y+C9H18Y=>R10C2H3V+7C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7981 RC7H13Y+C4H8Y=>R4CH3+C2H2T+4C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7982 RC7H13Y+C3H6Y=>R10C2H3V+4C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7983 RC6H11Y+C7H14Y=>R4CH3+C2H2T+5C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7984 RC6H11Y+C6H12Y=>R10C2H3V+5C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7985 RC6H11Y+C5H10Y=>R4CH3+C2H2T+4C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7986 RC6H11Y+C9H18Y=>R4CH3+C2H2T+6C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7987 RC6H11Y+C4H8Y=>R10C2H3V+4C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7988 RC6H11Y+C3H6Y=>R4CH3+C2H2T+3C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7989 RC9H17Y+C7H14Y=>R10C2H3V+7C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7990 RC9H17Y+C6H12Y=>R4CH3+C2H2T+6C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7991 RC9H17Y+C5H10Y=>R10C2H3V+6C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7992 RC9H17Y+C9H18Y=>R10C2H3V+8C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7993 RC9H17Y+C4H8Y=>R4CH3+C2H2T+5C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7994 RC9H17Y+C3H6Y=>R10C2H3V+5C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7995 RC8H15Y+C7H14Y=>R4CH3+C2H2T+6C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7996 RC8H15Y+C6H12Y=>R10C2H3V+6C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7997 RC8H15Y+C5H10Y=>R4CH3+C2H2T+5C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7998 RC8H15Y+C9H18Y=>R4CH3+C2H2T+7C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 7999 RC8H15Y+C4H8Y=>R10C2H3V+5C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 8000 RC8H15Y+C3H6Y=>R4CH3+C2H2T+4C2H4Z 6.0E+0009 0.000 11400.0 ! ADY 8001 ! Alkohol reactions C3H7OH+R1H=>H2+R2OH+C3H6Y 9.0E+0006 2.000 5000.0 ! AL 8002 C3H7OH+R2OH=>H2O+R2OH+C3H6Y 1.3E+0006 2.000 -765.0 ! AL 8003 C3H7OH+R3OOH=>H2O2+R2OH+C3H6Y 4.0E+0011 0.000 15500.0 ! AL 8004 C3H7OH+R4CH3=>CH4+R2OH+C3H6Y 2.0E+0011 0.000 9600.0 ! AL 8005 C3H7OH+R8CH3OO=>CH3OOH+R2OH+C3H6Y 3.0E+0012 0.000 17500.0 ! AL 8006 C3H7OH+R11C2H5=>C2H6+R2OH+C3H6Y 2.0E+0011 0.000 11000.0 ! AL 8007 C4H9OH+R1H=>H2+R2OH+C4H8Y 9.0E+0006 2.000 5000.0 ! AL 8008 C4H9OH+R1H=>H2+R4CH3+C2H6CO 4.2E+0006 2.000 2400.0 ! AL 8009 C4H9OH+R2OH=>H2O+R2OH+C4H8Y 1.3E+0006 2.000 -765.0 ! AL 8010 C4H9OH+R2OH=>H2O+R4CH3+C2H6CO 4.0E+0012 0.000 443.0 ! AL 8011 C4H9OH+R3OOH=>H2O2+R2OH+C4H8Y 4.0E+0011 0.000 15500.0 ! AL 8012 C4H9OH+R3OOH=>H2O2+R4CH3+C2H6CO 1.0E+0012 0.000 14000.0 ! AL 8013 C4H9OH+R4CH3=>CH4+R2OH+C4H8Y 2.0E+0011 0.000 9600.0 ! AL 8014 C4H9OH+R4CH3=>CH4+R4CH3+C2H6CO 1.0E+0011 0.000 7600.0 ! AL 8015 C4H9OH+R8CH3OO=>CH3OOH+R2OH+C4H8Y 3.0E+0012 0.000 17500.0 ! AL 8016 C4H9OH+R11C2H5=>C2H6+R2OH+C4H8Y 2.0E+0011 0.000 11000.0 ! AL 8017 C4H9OH+R11C2H5=>C2H6+R4CH3+C2H6CO 1.0E+0011 0.000 9200.0 ! AL 8018 C3H7OH+B1O=>R2OH+R2OH+C3H6Y 9.0E+0006 2.000 5000.0 ! AL 8019 C4H9OH+B1O=>R2OH+R2OH+C4H8Y 9.0E+0006 2.000 5000.0 ! AL 8020 C4H9OH+B1O=>R2OH+R4CH3+C2H6CO 4.2E+0006 2.000 2400.0 ! AL 8021 ! Aldehydes metathesis !C2H5CHO+R1H=>H2+R1781C2H5CO 4.0E+0013 0.000 4200.0 ! ALD 8022 !C2H5CHO+R2OH=>H2O+R1781C2H5CO 4.2E+0012 0.000 500.0 ! ALD 8023 !C2H5CHO+R3OOH=>H2O2+R1781C2H5CO 1.0E+0012 0.000 10000.0 ! ALD 8024 !C2H5CHO+R4CH3=>CH4+R1781C2H5CO 2.0E-0006 5.600 2500.0 ! ALD 8025 !C2H5CHO+R11C2H5=>C2H6+R1781C2H5CO 1.3E+0012 0.000 8500.0 ! ALD 8026 !H-ABSTRACTION propanal ! M. Pelucchi et al. / Combustion and Flame 162 (2015) 265–286 ! ALFA C2H5CHO+R1H<=>R1781C2H5CO+H2 1.000E+005 2.58 1220.0 C2H5CHO+R2OH<=>R1781C2H5CO+H2O 1.700E+012 0.00 -619.0 C2H5CHO+B1O<=>R1781C2H5CO+R2OH 5.940E+012 0.00 1868.0 C2H5CHO+R3OOH<=>R1781C2H5CO+H2O2 0.950E+004 2.70 11520.0 C2H5CHO+R4CH3<=>R1781C2H5CO+CH4 1.420E-003 4.58 1966.0 C2H5CHO+R11C2H5<=>R1781C2H5CO+C2H6 7.360E+004 2.00 5917.09 C2H5CHO+R7CH3O<=>R1781C2H5CO+CH3OH 1.000E+012 0.00 3300.0 C2H5CHO+R8CH3OO<=>R1781C2H5CO+CH3OOH 3.010E+012 0.00 11920.0 C2H5CHO+O2<=>R1781C2H5CO+R3OOH 9.030E+013 0.00 43320.0 C2H5CHO+R15C2H5O<=>R1781C2H5CO+C2H5OH 6.030E+011 0.00 3300.0 C2H5CHO+R10C2H3V<=>R1781C2H5CO+C2H4Z 3.256E+005 2.00 3965.7 ! BETA (SERINYEL ET AL. 2010) C2H5CHO+R1H<=>R1759C2H4CHO+H2 2.15E+06 2.29 2.88E+03 C2H5CHO+R4CH3<=>R1759C2H4CHO+CH4 2.55E+01 3.28 5.27E+03 C2H5CHO+B1O<=>R1759C2H4CHO+R2OH 2.16E+11 0.23 2.97E+03 C2H5CHO+R11C2H5<=>R1759C2H4CHO+C2H6 4.50E+10 0.00 8.60E+03 C2H5CHO+R10C2H3V<=>R1759C2H4CHO+C2H4Z 4.50E+10 0.00 5.60E+03 C2H5CHO+R7CH3O<=>R1759C2H4CHO+CH3OH 8.64E+11 0.00 4.57E+03 C2H5CHO+R15C2H5O<=>R1759C2H4CHO+C2H5OH 8.64E+11 0.00 4.57E+03 C2H5CHO+O2<=>R1759C2H4CHO+R3OOH 3.03E+13 0.00 4.59E+04 C2H5CHO+R2OH<=>R1759C2H4CHO+H2O 2.36E+02 3.15 3050.04 C2H5CHO+R3OOH<=>R1759C2H4CHO+H2O2 2.02E-01 3.82 9348.83 C2H5CHO+R8CH3OO<=>R1759C2H4CHO+CH3OOH 5.16E+12 0.05 1.79E+04 !GAMMA C2H5CHO+R1H<=>R715C2H4CHO+H2 2.63E+05 2.69 6.45E+03 C2H5CHO+R4CH3<=>R715C2H4CHO+CH4 9.04E-01 3.65 7.15E+03 C2H5CHO+B1O<=>R715C2H4CHO+R2OH 2.82E+13 0.00 7.85E+03 C2H5CHO+R11C2H5<=>R715C2H4CHO+C2H6 7.90E+10 0.00 1.23E+04 C2H5CHO+R15C2H5O<=>R715C2H4CHO+C2H5OH 1.50E+11 0.00 7.00E+03 C2H5CHO+R7CH3O<=>R715C2H4CHO+CH3OH 1.50E+11 0.00 7.00E+03 C2H5CHO+O2<=>R715C2H4CHO+R3OOH 3.00E+13 0.00 5.23E+04 C2H5CHO+R3OOH<=>R715C2H4CHO+H2O2 4.08E+01 3.59 1.72E+04 C2H5CHO+R8CH3OO<=>R715C2H4CHO+CH3OOH 6.93E-01 3.97 1.83E+04 C2H5CHO+R2OH<=>R715C2H4CHO+H2O 2.64E+09 0.97 1.59E+03 C2H3CHOZ+R1H=>H2+RCOC2H3Z 4.0E+0013 0.000 4200.0 ! ALD 8027 C2H3CHOZ+R2OH=>H2O+RCOC2H3Z 4.2E+0012 0.000 500.0 ! ALD 8028 C2H3CHOZ+R3OOH=>H2O2+RCOC2H3Z 1.0E+0012 0.000 10000.0 ! ALD 8029 C2H3CHOZ+R4CH3=>CH4+RCOC2H3Z 2.0E-0006 5.600 2500.0 ! ALD 8030 C2H3CHOZ+R11C2H5=>C2H6+RCOC2H3Z 1.3E+0012 0.000 8500.0 ! ALD 8031 !C6H13CHO+R1H=>H2+R154C6H13CO 4.0E+0013 0.000 4200.0 ! ALD 8032 !C6H13CHO+R2OH=>H2O+R154C6H13CO 4.2E+0012 0.000 500.0 ! ALD 8033 !C6H13CHO+R3OOH=>H2O2+R154C6H13CO 1.0E+0012 0.000 10000.0 ! ALD 8034 !C6H13CHO+R4CH3=>CH4+R154C6H13CO 2.0E-0006 5.600 2500.0 ! ALD 8035 !C6H13CHO+R11C2H5=>C2H6+R154C6H13CO 1.3E+0012 0.000 8500.0 ! ALD 8036 !ABSTRACTIONS OF heptanal ! M. Pelucchi et al. / Combustion and Flame 162 (2015) 265–286 !ALFA C6H13CHO+R1H<=>R154C6H13CO+H2 1.000E+005 2.580 1220.0 C6H13CHO+R2OH<=>R154C6H13CO+H2O 1.700E+012 0.000 -619.0 C6H13CHO+B1O<=>R154C6H13CO+R2OH 5.940E+012 0.000 1868.0 C6H13CHO+R3OOH<=>R154C6H13CO+H2O2 0.950E+004 2.70 11520.0 C6H13CHO+R4CH3<=>R154C6H13CO+CH4 1.420E-003 4.580 1966.0 C6H13CHO+R11C2H5<=>R154C6H13CO+C2H6 7.360E+004 2.000 5917.09 C6H13CHO+R7CH3O<=>R154C6H13CO+CH3OH 1.000E+012 0.000 3300.0 C6H13CHO+R8CH3OO<=>R154C6H13CO+CH3OOH 3.010E+012 0.000 11920.0 C6H13CHO+O2<=>R154C6H13CO+R3OOH 9.030E+013 0.000 43320.0 C6H13CHO+R10C2H3V<=>R154C6H13CO+C2H4Z 3.256E+005 2.000 3965.69 C6H13CHO+R15C2H5O<=>R154C6H13CO+C2H5OH 6.03E+11 0.000 3300.00 !BETA C6H13CHO+R1H<=>R714C6H12CHO+H2 2.15E+06 2.29 2.88E+03 C6H13CHO+R4CH3<=>R714C6H12CHO+CH4 2.55E+01 3.28 5.27E+03 C6H13CHO+B1O<=>R714C6H12CHO+R2OH 2.16E+11 0.23 2.97E+03 C6H13CHO+R11C2H5<=>R714C6H12CHO+C2H6 4.50E+10 0.00 8.60E+03 C6H13CHO+R15C2H5O<=>R714C6H12CHO+C2H5OH 8.64E+11 0.00 4.57E+03 C6H13CHO+R7CH3O<=>R714C6H12CHO+CH3OH 8.64E+11 0.00 4.57E+03 C6H13CHO+O2<=>R714C6H12CHO+R3OOH 3.03E+13 0.00 4.59E+04 C6H13CHO+R2OH<=>R714C6H12CHO+H2O 2.36E+02 3.15 3050.04 !CWZHOU C6H13CHO+R3OOH<=>R714C6H12CHO+H2O2 2.02E-01 3.82 9348.83 !JORGE MENDES C6H13CHO+R8CH3OO<=>R714C6H12CHO+CH3OOH 5.16E+12 0.05 1.79E+04 C6H13CHO+R10C2H3V<=>R714C6H12CHO+C2H4Z 4.50E+10 0.00 5.60E+03 !GAMMA C6H13CHO+R1H<=>R717C6H12CHO+H2 1.300E+006 2.400 4471.0 C6H13CHO+R4CH3<=>R717C6H12CHO+CH4 1.510E+000 3.460 5481.0 C6H13CHO+B1O<=>R717C6H12CHO+R2OH 2.810E+013 0.000 5200.0 C6H13CHO+R11C2H5<=>R717C6H12CHO+C2H6 5.000E+010 0.000 10400.0 C6H13CHO+R15C2H5O<=>R717C6H12CHO+C2H5OH 3.000E+011 0.000 7000.0 C6H13CHO+R7CH3O<=>R717C6H12CHO+CH3OH 3.000E+011 0.000 7000.0 C6H13CHO+O2<=>R717C6H12CHO+R3OOH 2.000E+013 0.000 49800.0 C6H13CHO+R3OOH<=>R717C6H12CHO+H2O2 6.320E+001 3.370 13720.0 C6H13CHO+R8CH3OO<=>R717C6H12CHO+CH3OOH 1.018E+001 3.580 14810.0 C6H13CHO+R2OH<=>R717C6H12CHO+H2O 4.670E+007 1.610 -35.0 C6H13CHO+R10C2H3V<=>R717C6H12CHO+C2H4Z 4.000E+011 0.000 16800.0 C6H13CHO+R17C2H5OO<=>R717C6H12CHO+C2H5OOH 6.320E+001 3.370 13720.0 !DELTA C6H13CHO+R1H<=>R356C6H12CHO+H2 1.300E+006 2.400 4471.0 C6H13CHO+R4CH3<=>R356C6H12CHO+CH4 1.510E+000 3.460 5481.0 C6H13CHO+B1O<=>R356C6H12CHO+R2OH 2.810E+013 0.000 5200.0 C6H13CHO+R11C2H5<=>R356C6H12CHO+C2H6 5.000E+010 0.000 10400.0 C6H13CHO+R15C2H5O<=>R356C6H12CHO+C2H5OH 3.000E+011 0.000 7000.0 C6H13CHO+R7CH3O<=>R356C6H12CHO+CH3OH 3.000E+011 0.000 7000.0 C6H13CHO+O2<=>R356C6H12CHO+R3OOH 2.000E+013 0.000 49800.0 C6H13CHO+R3OOH<=>R356C6H12CHO+H2O2 6.320E+001 3.370 13720.0 C6H13CHO+R8CH3OO<=>R356C6H12CHO+CH3OOH 1.018E+001 3.580 14810.0 C6H13CHO+R2OH<=>R356C6H12CHO+H2O 4.670E+007 1.610 -35.0 C6H13CHO+R10C2H3V<=>R356C6H12CHO+C2H4Z 4.000E+011 0.000 16800.0 C6H13CHO+R17C2H5OO<=>R356C6H12CHO+C2H5OOH 6.320E+001 3.370 13720.0 !EPSILON C6H13CHO+R1H<=>R357C6H12CHO+H2 1.300E+006 2.400 4471.0 C6H13CHO+R4CH3<=>R357C6H12CHO+CH4 1.510E+000 3.460 5481.0 C6H13CHO+B1O<=>R357C6H12CHO+R2OH 2.810E+013 0.000 5200.0 C6H13CHO+R11C2H5<=>R357C6H12CHO+C2H6 5.000E+010 0.000 10400.0 C6H13CHO+R15C2H5O<=>R357C6H12CHO+C2H5OH 3.000E+011 0.000 7000.0 C6H13CHO+R7CH3O<=>R357C6H12CHO+CH3OH 3.000E+011 0.000 7000.0 C6H13CHO+O2<=>R357C6H12CHO+R3OOH 2.000E+013 0.000 49800.0 C6H13CHO+R3OOH<=>R357C6H12CHO+H2O2 6.320E+001 3.370 13720.0 C6H13CHO+R8CH3OO<=>R357C6H12CHO+CH3OOH 1.018E+001 3.580 14810.0 C6H13CHO+R2OH<=>R357C6H12CHO+H2O 4.670E+007 1.610 -35.0 C6H13CHO+R10C2H3V<=>R357C6H12CHO+C2H4Z 4.000E+011 0.000 16800.0 C6H13CHO+R17C2H5OO<=>R357C6H12CHO+C2H5OOH 6.320E+001 3.370 13720.0 !DZETA C6H13CHO+R1H<=>R358C6H12CHO+H2 1.300E+006 2.400 4471.0 C6H13CHO+R4CH3<=>R358C6H12CHO+CH4 1.510E+000 3.460 5481.0 C6H13CHO+B1O<=>R358C6H12CHO+R2OH 2.810E+013 0.000 5200.0 C6H13CHO+R11C2H5<=>R358C6H12CHO+C2H6 5.000E+010 0.000 10400.0 C6H13CHO+R15C2H5O<=>R358C6H12CHO+C2H5OH 3.000E+011 0.000 7000.0 C6H13CHO+R7CH3O<=>R358C6H12CHO+CH3OH 3.000E+011 0.000 7000.0 C6H13CHO+O2<=>R358C6H12CHO+R3OOH 2.000E+013 0.000 49800.0 C6H13CHO+R3OOH<=>R358C6H12CHO+H2O2 6.320E+001 3.370 13720.0 C6H13CHO+R8CH3OO<=>R358C6H12CHO+CH3OOH 1.018E+001 3.580 14810.0 C6H13CHO+R2OH<=>R358C6H12CHO+H2O 4.670E+007 1.610 -35.0 C6H13CHO+R10C2H3V<=>R358C6H12CHO+C2H4Z 4.000E+011 0.000 16800.0 C6H13CHO+R17C2H5OO<=>R358C6H12CHO+C2H5OOH 6.320E+001 3.370 13720.0 !DZETA+1 C6H13CHO+R1H<=>R359C6H12CHO+H2 2.63E+05 2.69 6.45E+03 C6H13CHO+R4CH3<=>R359C6H12CHO+CH4 9.04E-01 3.65 7.15E+03 C6H13CHO+B1O<=>R359C6H12CHO+R2OH 2.82E+13 0.00 7.85E+03 C6H13CHO+R11C2H5<=>R359C6H12CHO+C2H6 7.90E+10 0.00 1.23E+04 C6H13CHO+R15C2H5O<=>R359C6H12CHO+C2H5OH 1.50E+11 0.00 7.00E+03 C6H13CHO+R7CH3O<=>R359C6H12CHO+CH3OH 1.50E+11 0.00 7.00E+03 C6H13CHO+O2<=>R359C6H12CHO+R3OOH 3.00E+13 0.00 5.23E+04 C6H13CHO+R3OOH<=>R359C6H12CHO+H2O2 1.02E+01 3.59 1.72E+04 C6H13CHO+R8CH3OO<=>R359C6H12CHO+CH3OOH 6.93E-01 3.97 1.83E+04 C6H13CHO+R2OH<=>R359C6H12CHO+H2O 2.64E+09 0.97 1.59E+03 !C5H11CHO+R1H=>H2+RCOC5H11 4.0E+0013 0.000 4200.0 ! ALD 8037 !C5H11CHO+R2OH=>H2O+RCOC5H11 4.2E+0012 0.000 500.0 ! ALD 8038 !C5H11CHO+R3OOH=>H2O2+RCOC5H11 1.0E+0012 0.000 10000.0 ! ALD 8039 !C5H11CHO+R4CH3=>CH4+RCOC5H11 2.0E-0006 5.600 2500.0 ! ALD 8040 !C5H11CHO+R11C2H5=>C2H6+RCOC5H11 1.3E+0012 0.000 8500.0 ! ALD 8041 !ABSTRACTIONS OF hexanal ! M. Pelucchi et al. / Combustion and Flame 162 (2015) 265–286 !ALFA C5H11CHO+R1H<=>RCOC5H11+H2 1.000E+005 2.580 1220.0 C5H11CHO+R2OH<=>RCOC5H11+H2O 1.700E+012 0.000 -619.0 C5H11CHO+B1O<=>RCOC5H11+R2OH 5.940E+012 0.000 1868.0 C5H11CHO+R3OOH<=>RCOC5H11+H2O2 0.950E+004 2.70 11520.0 C5H11CHO+R4CH3<=>RCOC5H11+CH4 1.420E-003 4.580 1966.0 C5H11CHO+R11C2H5<=>RCOC5H11+C2H6 7.360E+004 2.000 5917.09 C5H11CHO+R7CH3O<=>RCOC5H11+CH3OH 1.000E+012 0.000 3300.0 C5H11CHO+R8CH3OO<=>RCOC5H11+CH3OOH 3.010E+012 0.000 11920.0 C5H11CHO+O2<=>RCOC5H11+R3OOH 9.030E+013 0.000 43320.0 C5H11CHO+R10C2H3V<=>RCOC5H11+C2H4Z 3.256E+005 2.000 3965.69 C5H11CHO+R15C2H5O<=>RCOC5H11+C2H5OH 6.03E+11 0.000 3300.00 !BETA C5H11CHO+R1H<=>RnC5H10CHO-1+H2 2.15E+06 2.29 2.88E+03 C5H11CHO+R4CH3<=>RnC5H10CHO-1+CH4 2.55E+01 3.28 5.27E+03 C5H11CHO+B1O<=>RnC5H10CHO-1+R2OH 2.16E+11 0.23 2.97E+03 C5H11CHO+R11C2H5<=>RnC5H10CHO-1+C2H6 4.50E+10 0.00 8.60E+03 C5H11CHO+R15C2H5O<=>RnC5H10CHO-1+C2H5OH 8.64E+11 0.00 4.57E+03 C5H11CHO+R7CH3O<=>RnC5H10CHO-1+CH3OH 8.64E+11 0.00 4.57E+03 C5H11CHO+O2<=>RnC5H10CHO-1+R3OOH 3.03E+13 0.00 4.59E+04 C5H11CHO+R2OH<=>RnC5H10CHO-1+H2O 2.36E+02 3.15 3050.04 !CWZHOU C5H11CHO+R3OOH<=>RnC5H10CHO-1+H2O2 2.02E-01 3.82 9348.83 !JORGE MENDES C5H11CHO+R8CH3OO<=>RnC5H10CHO-1+CH3OOH 5.16E+12 0.05 1.79E+04 C5H11CHO+R10C2H3V<=>RnC5H10CHO-1+C2H4Z 4.50E+10 0.00 5.60E+03 !GAMMA C5H11CHO+R1H<=>RnC5H10CHO-2+H2 1.300E+006 2.400 4471.0 C5H11CHO+R4CH3<=>RnC5H10CHO-2+CH4 1.510E+000 3.460 5481.0 C5H11CHO+B1O<=>RnC5H10CHO-2+R2OH 2.810E+013 0.000 5200.0 C5H11CHO+R11C2H5<=>RnC5H10CHO-2+C2H6 5.000E+010 0.000 10400.0 C5H11CHO+R15C2H5O<=>RnC5H10CHO-2+C2H5OH 3.000E+011 0.000 7000.0 C5H11CHO+R7CH3O<=>RnC5H10CHO-2+CH3OH 3.000E+011 0.000 7000.0 C5H11CHO+O2<=>RnC5H10CHO-2+R3OOH 2.000E+013 0.000 49800.0 C5H11CHO+R3OOH<=>RnC5H10CHO-2+H2O2 6.320E+001 3.370 13720.0 C5H11CHO+R8CH3OO<=>RnC5H10CHO-2+CH3OOH 1.018E+001 3.580 14810.0 C5H11CHO+R2OH<=>RnC5H10CHO-2+H2O 4.670E+007 1.610 -35.0 C5H11CHO+R10C2H3V<=>RnC5H10CHO-2+C2H4Z 4.000E+011 0.000 16800.0 C5H11CHO+R17C2H5OO<=>RnC5H10CHO-2+C2H5OOH 6.320E+001 3.370 13720.0 !DELTA C5H11CHO+R1H<=>RnC5H10CHO-3+H2 1.300E+006 2.400 4471.0 C5H11CHO+R4CH3<=>RnC5H10CHO-3+CH4 1.510E+000 3.460 5481.0 C5H11CHO+B1O<=>RnC5H10CHO-3+R2OH 2.810E+013 0.000 5200.0 C5H11CHO+R11C2H5<=>RnC5H10CHO-3+C2H6 5.000E+010 0.000 10400.0 C5H11CHO+R15C2H5O<=>RnC5H10CHO-3+C2H5OH 3.000E+011 0.000 7000.0 C5H11CHO+R7CH3O<=>RnC5H10CHO-3+CH3OH 3.000E+011 0.000 7000.0 C5H11CHO+O2<=>RnC5H10CHO-3+R3OOH 2.000E+013 0.000 49800.0 C5H11CHO+R3OOH<=>RnC5H10CHO-3+H2O2 6.320E+001 3.370 13720.0 C5H11CHO+R8CH3OO<=>RnC5H10CHO-3+CH3OOH 1.018E+001 3.580 14810.0 C5H11CHO+R2OH<=>RnC5H10CHO-3+H2O 4.670E+007 1.610 -35.0 C5H11CHO+R10C2H3V<=>RnC5H10CHO-3+C2H4Z 4.000E+011 0.000 16800.0 C5H11CHO+R17C2H5OO<=>RnC5H10CHO-3+C2H5OOH 6.320E+001 3.370 13720.0 !EPSILON C5H11CHO+R1H<=>RnC5H10CHO-4+H2 1.300E+006 2.400 4471.0 C5H11CHO+R4CH3<=>RnC5H10CHO-4+CH4 1.510E+000 3.460 5481.0 C5H11CHO+B1O<=>RnC5H10CHO-4+R2OH 2.810E+013 0.000 5200.0 C5H11CHO+R11C2H5<=>RnC5H10CHO-4+C2H6 5.000E+010 0.000 10400.0 C5H11CHO+R15C2H5O<=>RnC5H10CHO-4+C2H5OH 3.000E+011 0.000 7000.0 C5H11CHO+R7CH3O<=>RnC5H10CHO-4+CH3OH 3.000E+011 0.000 7000.0 C5H11CHO+O2<=>RnC5H10CHO-4+R3OOH 2.000E+013 0.000 49800.0 C5H11CHO+R3OOH<=>RnC5H10CHO-4+H2O2 6.320E+001 3.370 13720.0 C5H11CHO+R8CH3OO<=>RnC5H10CHO-4+CH3OOH 1.018E+001 3.580 14810.0 C5H11CHO+R2OH<=>RnC5H10CHO-4+H2O 4.670E+007 1.610 -35.0 C5H11CHO+R10C2H3V<=>RnC5H10CHO-4+C2H4Z 4.000E+011 0.000 16800.0 C5H11CHO+R17C2H5OO<=>RnC5H10CHO-4+C2H5OOH 6.320E+001 3.370 13720.0 !DZETA C5H11CHO+R1H<=>RnC5H10CHO-5+H2 2.63E+05 2.69 6.45E+03 C5H11CHO+R4CH3<=>RnC5H10CHO-5+CH4 9.04E-01 3.65 7.15E+03 C5H11CHO+B1O<=>RnC5H10CHO-5+R2OH 2.82E+13 0.00 7.85E+03 C5H11CHO+R11C2H5<=>RnC5H10CHO-5+C2H6 7.90E+10 0.00 1.23E+04 C5H11CHO+R15C2H5O<=>RnC5H10CHO-5+C2H5OH 1.50E+11 0.00 7.00E+03 C5H11CHO+R7CH3O<=>RnC5H10CHO-5+CH3OH 1.50E+11 0.00 7.00E+03 C5H11CHO+O2<=>RnC5H10CHO-5+R3OOH 3.00E+13 0.00 5.23E+04 C5H11CHO+R3OOH<=>RnC5H10CHO-5+H2O2 1.02E+01 3.59 1.72E+04 C5H11CHO+R8CH3OO<=>RnC5H10CHO-5+CH3OOH 6.93E-01 3.97 1.83E+04 C5H11CHO+R2OH<=>RnC5H10CHO-5+H2O 2.64E+09 0.97 1.59E+03 RCOC5H11<=>RnC5H10CHO-3 5.7E+0008 1.000 23300.0 RCOC5H11<=>RnC5H10CHO-4 9.9E+0007 1.000 18000.0 RCOC5H11<=>RnC5H10CHO-5 2.5E+0007 1.000 25900.0 RnC5H10CHO-1<=>RnC5H10CHO-4 5.7E+0008 1.000 17300.0 RnC5H10CHO-1<=>RnC5H10CHO-5 1.5E+0008 1.000 14500.0 RnC5H10CHO-2<=>RnC5H10CHO-5 8.6E+0008 1.000 19800.0 RnC5H10CHO-1<=>R19C3H7+C2H3CHOZ 2.0E+0013 0.000 28700.0 RnC5H10CHO-2<=>R11C2H5+C3H5CHOZ 2.0E+0013 0.000 28700.0 RnC5H10CHO-2<=>R5CHO+C5H10Z 2.0E+0013 0.000 27700.0 RnC5H10CHO-3<=>R4CH3+C4H7CHOZ 2.0E+0013 0.000 31000.0 RnC5H10CHO-3<=>R13CH2CHO+C4H8Y 2.0E+0013 0.000 28700.0 RnC5H10CHO-4<=>R715C2H4CHO+C3H6Y 2.0E+0013 0.000 28700.0 RnC5H10CHO-5<=>R718C3H6CHO+C2H4Z 2.0E+0013 0.000 28700.0 !C7H15CHO+R1H=>H2+RCOC7H15 4.0E+0013 0.000 4200.0 ! ALD 8042 !C7H15CHO+R2OH=>H2O+RCOC7H15 4.2E+0012 0.000 500.0 ! ALD 8043 !C7H15CHO+R3OOH=>H2O2+RCOC7H15 1.0E+0012 0.000 10000.0 ! ALD 8044 !C7H15CHO+R4CH3=>CH4+RCOC7H15 2.0E-0006 5.600 2500.0 ! ALD 8045 !C7H15CHO+R11C2H5=>C2H6+RCOC7H15 1.3E+0012 0.000 8500.0 ! ALD 8046 !ABSTRACTIONS OF octanal ! M. Pelucchi et al. / Combustion and Flame 162 (2015) 265–286 !ALFA C7H15CHO+R1H<=>RCOC7H15+H2 1.000E+005 2.580 1220.0 C7H15CHO+R2OH<=>RCOC7H15+H2O 1.700E+012 0.000 -619.0 C7H15CHO+B1O<=>RCOC7H15+R2OH 5.940E+012 0.000 1868.0 C7H15CHO+R3OOH<=>RCOC7H15+H2O2 0.950E+004 2.70 11520.0 C7H15CHO+R4CH3<=>RCOC7H15+CH4 1.420E-003 4.580 1966.0 C7H15CHO+R11C2H5<=>RCOC7H15+C2H6 7.360E+004 2.000 5917.09 C7H15CHO+R7CH3O<=>RCOC7H15+CH3OH 1.000E+012 0.000 3300.0 C7H15CHO+R8CH3OO<=>RCOC7H15+CH3OOH 3.010E+012 0.000 11920.0 C7H15CHO+O2<=>RCOC7H15+R3OOH 9.030E+013 0.000 43320.0 C7H15CHO+R10C2H3V<=>RCOC7H15+C2H4Z 3.256E+005 2.000 3965.69 C7H15CHO+R15C2H5O<=>RCOC7H15+C2H5OH 6.03E+11 0.000 3300.00 !BETA C7H15CHO+R1H<=>RnC7H14CHO-1+H2 2.15E+06 2.29 2.88E+03 C7H15CHO+R4CH3<=>RnC7H14CHO-1+CH4 2.55E+01 3.28 5.27E+03 C7H15CHO+B1O<=>RnC7H14CHO-1+R2OH 2.16E+11 0.23 2.97E+03 C7H15CHO+R11C2H5<=>RnC7H14CHO-1+C2H6 4.50E+10 0.00 8.60E+03 C7H15CHO+R15C2H5O<=>RnC7H14CHO-1+C2H5OH 8.64E+11 0.00 4.57E+03 C7H15CHO+R7CH3O<=>RnC7H14CHO-1+CH3OH 8.64E+11 0.00 4.57E+03 C7H15CHO+O2<=>RnC7H14CHO-1+R3OOH 3.03E+13 0.00 4.59E+04 C7H15CHO+R2OH<=>RnC7H14CHO-1+H2O 2.36E+02 3.15 3050.04 !CWZHOU C7H15CHO+R3OOH<=>RnC7H14CHO-1+H2O2 2.02E-01 3.82 9348.83 !JORGE MENDES C7H15CHO+R8CH3OO<=>RnC7H14CHO-1+CH3OOH 5.16E+12 0.05 1.79E+04 C7H15CHO+R10C2H3V<=>RnC7H14CHO-1+C2H4Z 4.50E+10 0.00 5.60E+03 !GAMMA C7H15CHO+R1H<=>RnC7H14CHO-2+H2 1.300E+006 2.400 4471.0 C7H15CHO+R4CH3<=>RnC7H14CHO-2+CH4 1.510E+000 3.460 5481.0 C7H15CHO+B1O<=>RnC7H14CHO-2+R2OH 2.810E+013 0.000 5200.0 C7H15CHO+R11C2H5<=>RnC7H14CHO-2+C2H6 5.000E+010 0.000 10400.0 C7H15CHO+R15C2H5O<=>RnC7H14CHO-2+C2H5OH 3.000E+011 0.000 7000.0 C7H15CHO+R7CH3O<=>RnC7H14CHO-2+CH3OH 3.000E+011 0.000 7000.0 C7H15CHO+O2<=>RnC7H14CHO-2+R3OOH 2.000E+013 0.000 49800.0 C7H15CHO+R3OOH<=>RnC7H14CHO-2+H2O2 6.320E+001 3.370 13720.0 C7H15CHO+R8CH3OO<=>RnC7H14CHO-2+CH3OOH 1.018E+001 3.580 14810.0 C7H15CHO+R2OH<=>RnC7H14CHO-2+H2O 4.670E+007 1.610 -35.0 C7H15CHO+R10C2H3V<=>RnC7H14CHO-2+C2H4Z 4.000E+011 0.000 16800.0 C7H15CHO+R17C2H5OO<=>RnC7H14CHO-2+C2H5OOH 6.320E+001 3.370 13720.0 !DELTA C7H15CHO+R1H<=>RnC7H14CHO-3+H2 1.300E+006 2.400 4471.0 C7H15CHO+R4CH3<=>RnC7H14CHO-3+CH4 1.510E+000 3.460 5481.0 C7H15CHO+B1O<=>RnC7H14CHO-3+R2OH 2.810E+013 0.000 5200.0 C7H15CHO+R11C2H5<=>RnC7H14CHO-3+C2H6 5.000E+010 0.000 10400.0 C7H15CHO+R15C2H5O<=>RnC7H14CHO-3+C2H5OH 3.000E+011 0.000 7000.0 C7H15CHO+R7CH3O<=>RnC7H14CHO-3+CH3OH 3.000E+011 0.000 7000.0 C7H15CHO+O2<=>RnC7H14CHO-3+R3OOH 2.000E+013 0.000 49800.0 C7H15CHO+R3OOH<=>RnC7H14CHO-3+H2O2 6.320E+001 3.370 13720.0 C7H15CHO+R8CH3OO<=>RnC7H14CHO-3+CH3OOH 1.018E+001 3.580 14810.0 C7H15CHO+R2OH<=>RnC7H14CHO-3+H2O 4.670E+007 1.610 -35.0 C7H15CHO+R10C2H3V<=>RnC7H14CHO-3+C2H4Z 4.000E+011 0.000 16800.0 C7H15CHO+R17C2H5OO<=>RnC7H14CHO-3+C2H5OOH 6.320E+001 3.370 13720.0 !EPSILON C7H15CHO+R1H<=>RnC7H14CHO-4+H2 1.300E+006 2.400 4471.0 C7H15CHO+R4CH3<=>RnC7H14CHO-4+CH4 1.510E+000 3.460 5481.0 C7H15CHO+B1O<=>RnC7H14CHO-4+R2OH 2.810E+013 0.000 5200.0 C7H15CHO+R11C2H5<=>RnC7H14CHO-4+C2H6 5.000E+010 0.000 10400.0 C7H15CHO+R15C2H5O<=>RnC7H14CHO-4+C2H5OH 3.000E+011 0.000 7000.0 C7H15CHO+R7CH3O<=>RnC7H14CHO-4+CH3OH 3.000E+011 0.000 7000.0 C7H15CHO+O2<=>RnC7H14CHO-4+R3OOH 2.000E+013 0.000 49800.0 C7H15CHO+R3OOH<=>RnC7H14CHO-4+H2O2 6.320E+001 3.370 13720.0 C7H15CHO+R8CH3OO<=>RnC7H14CHO-4+CH3OOH 1.018E+001 3.580 14810.0 C7H15CHO+R2OH<=>RnC7H14CHO-4+H2O 4.670E+007 1.610 -35.0 C7H15CHO+R10C2H3V<=>RnC7H14CHO-4+C2H4Z 4.000E+011 0.000 16800.0 C7H15CHO+R17C2H5OO<=>RnC7H14CHO-4+C2H5OOH 6.320E+001 3.370 13720.0 !DZETA C7H15CHO+R1H<=>RnC7H14CHO-5+H2 1.300E+006 2.400 4471.0 C7H15CHO+R4CH3<=>RnC7H14CHO-5+CH4 1.510E+000 3.460 5481.0 C7H15CHO+B1O<=>RnC7H14CHO-5+R2OH 2.810E+013 0.000 5200.0 C7H15CHO+R11C2H5<=>RnC7H14CHO-5+C2H6 5.000E+010 0.000 10400.0 C7H15CHO+R15C2H5O<=>RnC7H14CHO-5+C2H5OH 3.000E+011 0.000 7000.0 C7H15CHO+R7CH3O<=>RnC7H14CHO-5+CH3OH 3.000E+011 0.000 7000.0 C7H15CHO+O2<=>RnC7H14CHO-5+R3OOH 2.000E+013 0.000 49800.0 C7H15CHO+R3OOH<=>RnC7H14CHO-5+H2O2 6.320E+001 3.370 13720.0 C7H15CHO+R8CH3OO<=>RnC7H14CHO-5+CH3OOH 1.018E+001 3.580 14810.0 C7H15CHO+R2OH<=>RnC7H14CHO-5+H2O 4.670E+007 1.610 -35.0 C7H15CHO+R10C2H3V<=>RnC7H14CHO-5+C2H4Z 4.000E+011 0.000 16800.0 C7H15CHO+R17C2H5OO<=>RnC7H14CHO-5+C2H5OOH 6.320E+001 3.370 13720.0 !DZETA+1 C7H15CHO+R1H<=>RnC7H14CHO-6+H2 1.300E+006 2.400 4471.0 C7H15CHO+R4CH3<=>RnC7H14CHO-6+CH4 1.510E+000 3.460 5481.0 C7H15CHO+B1O<=>RnC7H14CHO-6+R2OH 2.810E+013 0.000 5200.0 C7H15CHO+R11C2H5<=>RnC7H14CHO-6+C2H6 5.000E+010 0.000 10400.0 C7H15CHO+R15C2H5O<=>RnC7H14CHO-6+C2H5OH 3.000E+011 0.000 7000.0 C7H15CHO+R7CH3O<=>RnC7H14CHO-6+CH3OH 3.000E+011 0.000 7000.0 C7H15CHO+O2<=>RnC7H14CHO-6+R3OOH 2.000E+013 0.000 49800.0 C7H15CHO+R3OOH<=>RnC7H14CHO-6+H2O2 6.320E+001 3.370 13720.0 C7H15CHO+R8CH3OO<=>RnC7H14CHO-6+CH3OOH 1.018E+001 3.580 14810.0 C7H15CHO+R2OH<=>RnC7H14CHO-6+H2O 4.670E+007 1.610 -35.0 C7H15CHO+R10C2H3V<=>RnC7H14CHO-6+C2H4Z 4.000E+011 0.000 16800.0 C7H15CHO+R17C2H5OO<=>RnC7H14CHO-6+C2H5OOH 6.320E+001 3.370 13720.0 !DZETA+2 C7H15CHO+R1H<=>RnC7H14CHO-7+H2 2.63E+05 2.69 6.45E+03 C7H15CHO+R4CH3<=>RnC7H14CHO-7+CH4 9.04E-01 3.65 7.15E+03 C7H15CHO+B1O<=>RnC7H14CHO-7+R2OH 2.82E+13 0.00 7.85E+03 C7H15CHO+R11C2H5<=>RnC7H14CHO-7+C2H6 7.90E+10 0.00 1.23E+04 C7H15CHO+R15C2H5O<=>RnC7H14CHO-7+C2H5OH 1.50E+11 0.00 7.00E+03 C7H15CHO+R7CH3O<=>RnC7H14CHO-7+CH3OH 1.50E+11 0.00 7.00E+03 C7H15CHO+O2<=>RnC7H14CHO-7+R3OOH 3.00E+13 0.00 5.23E+04 C7H15CHO+R3OOH<=>RnC7H14CHO-7+H2O2 1.02E+01 3.59 1.72E+04 C7H15CHO+R8CH3OO<=>RnC7H14CHO-7+CH3OOH 6.93E-01 3.97 1.83E+04 C7H15CHO+R2OH<=>RnC7H14CHO-7+H2O 2.64E+09 0.97 1.59E+03 RCOC7H15<=>RnC7H14CHO-3 5.7E+0008 1.000 23300.0 RCOC7H15<=>RnC7H14CHO-4 9.9E+0007 1.000 18000.0 RCOC7H15<=>RnC7H14CHO-5 1.7E+0007 1.000 23400.0 RCOC7H15<=>RnC7H14CHO-6 2.9E+0006 1.000 26900.0 RnC7H14CHO-1<=>RnC7H14CHO-4 5.7E+0008 1.000 17300.0 RnC7H14CHO-1<=>RnC7H14CHO-5 9.9E+0007 1.000 12000.0 RnC7H14CHO-1<=>RnC7H14CHO-6 1.7E+0007 1.000 17400.0 RnC7H14CHO-1<=>RnC7H14CHO-7 4.4E+0006 1.000 23400.0 RnC7H14CHO-2<=>RnC7H14CHO-5 5.7E+0008 1.000 17300.0 RnC7H14CHO-2<=>RnC7H14CHO-6 9.9E+0007 1.000 12000.0 RnC7H14CHO-2<=>RnC7H14CHO-7 2.5E+0007 1.000 19900.0 RnC7H14CHO-3<=>RnC7H14CHO-6 5.7E+0008 1.000 17300.0 RnC7H14CHO-3<=>RnC7H14CHO-7 1.5E+0008 1.000 14500.0 RnC7H14CHO-4<=>RnC7H14CHO-7 8.6E+0008 1.000 19800.0 RnC7H14CHO-1<=>R26C5H11+C2H3CHOZ 2.0E+0013 0.000 28700.0 RnC7H14CHO-2<=>R20C4H9+C3H5CHOZ 2.0E+0013 0.000 28700.0 RnC7H14CHO-2<=>R5CHO+C7H14Z 2.0E+0013 0.000 27700.0 RnC7H14CHO-3<=>R19C3H7+C4H7CHOZ 2.0E+0013 0.000 28700.0 RnC7H14CHO-3<=>R13CH2CHO+C6H12Z 2.0E+0013 0.000 28700.0 RnC7H14CHO-4<=>R11C2H5+C5H9CHOZ 2.0E+0013 0.000 28700.0 RnC7H14CHO-4<=>R715C2H4CHO+C5H10Z 2.0E+0013 0.000 28700.0 RnC7H14CHO-5<=>R4CH3+C6H11CHOZ 2.0E+0013 0.000 31000.0 RnC7H14CHO-5<=>R718C3H6CHO+C4H8Y 2.0E+0013 0.000 28700.0 RnC7H14CHO-6<=>R720C4H8CHO+C3H6Y 2.0E+0013 0.000 28700.0 RnC7H14CHO-7<=>RnC5H10CHO-5+C2H4Z 2.0E+0013 0.000 28700.0 !C3H7CHO+R1H=>H2+R1148C3H7CO 4.0E+0013 0.000 4200.0 ! ALD 8047 !C3H7CHO+R2OH=>H2O+R1148C3H7CO 4.2E+0012 0.000 500.0 ! ALD 8048 !C3H7CHO+R3OOH=>H2O2+R1148C3H7CO 1.0E+0012 0.000 10000.0 ! ALD 8049 !C3H7CHO+R4CH3=>CH4+R1148C3H7CO 2.0E-0006 5.600 2500.0 ! ALD 8050 !C3H7CHO+R11C2H5=>C2H6+R1148C3H7CO 1.3E+0012 0.000 8500.0 ! ALD 8051 !ABSTRACTIONS OF butanal ! M. Pelucchi et al. / Combustion and Flame 162 (2015) 265–286 !ALFA C3H7CHO+R1H<=>R1148C3H7CO+H2 1.000E+005 2.580 1220.0 C3H7CHO+R2OH<=>R1148C3H7CO+H2O 1.700E+012 0.000 -619.0 C3H7CHO+B1O<=>R1148C3H7CO+R2OH 5.940E+012 0.000 1868.0 C3H7CHO+R3OOH<=>R1148C3H7CO+H2O2 0.950E+004 2.70 11520.0 C3H7CHO+R4CH3<=>R1148C3H7CO+CH4 1.420E-003 4.580 1966.0 C3H7CHO+R11C2H5<=>R1148C3H7CO+C2H6 7.360E+004 2.000 5917.09 C3H7CHO+R7CH3O<=>R1148C3H7CO+CH3OH 1.000E+012 0.000 3300.0 C3H7CHO+R8CH3OO<=>R1148C3H7CO+CH3OOH 3.010E+012 0.000 11920.0 C3H7CHO+O2<=>R1148C3H7CO+R3OOH 9.030E+013 0.000 43320.0 C3H7CHO+R10C2H3V<=>R1148C3H7CO+C2H4Z 3.256E+005 2.000 3965.69 C3H7CHO+R15C2H5O<=>R1148C3H7CO+C2H5OH 6.030E+011 0.000 3300.00 !BETA C3H7CHO+R1H<=>R1761C3H6CHO+H2 2.15E+06 2.29 2.88E+03 C3H7CHO+R4CH3<=>R1761C3H6CHO+CH4 2.55E+01 3.28 5.27E+03 C3H7CHO+B1O<=>R1761C3H6CHO+R2OH 2.16E+11 0.23 2.97E+03 C3H7CHO+R11C2H5<=>R1761C3H6CHO+C2H6 4.50E+10 0.00 8.60E+03 C3H7CHO+R15C2H5O<=>R1761C3H6CHO+C2H5OH 8.64E+11 0.00 4.57E+03 C3H7CHO+R7CH3O<=>R1761C3H6CHO+CH3OH 8.64E+11 0.00 4.57E+03 C3H7CHO+O2<=>R1761C3H6CHO+R3OOH 3.03E+13 0.00 4.59E+04 C3H7CHO+R2OH<=>R1761C3H6CHO+H2O 2.36E+02 3.15 3050.04 !CWZHOU C3H7CHO+R3OOH<=>R1761C3H6CHO+H2O2 2.02E-01 3.82 9348.83 !JORGE MENDES C3H7CHO+R8CH3OO<=>R1761C3H6CHO+CH3OOH 5.16E+12 0.05 1.79E+04 C3H7CHO+R10C2H3V<=>R1761C3H6CHO+C2H4Z 4.50E+10 0.00 5.60E+03 !GAMMA !1/2 BUTANE SC4H9 (R3OOH R8CH3OO..SHOULD WE TAKE IT FROM CARTENSEN STILL?) C3H7CHO+R1H<=>R1796C3H6CHO+H2 1.300E+006 2.400 4471.0 C3H7CHO+R4CH3<=>R1796C3H6CHO+CH4 1.510E+000 3.460 5481.0 C3H7CHO+B1O<=>R1796C3H6CHO+R2OH 2.810E+013 0.000 5200.0 C3H7CHO+R11C2H5<=>R1796C3H6CHO+C2H6 5.000E+010 0.000 10400.0 C3H7CHO+R15C2H5O<=>R1796C3H6CHO+C2H5OH 3.000E+011 0.000 7000.0 C3H7CHO+R7CH3O<=>R1796C3H6CHO+CH3OH 3.000E+011 0.000 7000.0 C3H7CHO+O2<=>R1796C3H6CHO+R3OOH 2.000E+013 0.000 49800.0 C3H7CHO+R3OOH<=>R1796C3H6CHO+H2O2 6.320E+001 3.370 13720.0 C3H7CHO+R8CH3OO<=>R1796C3H6CHO+CH3OOH 1.018E+001 3.580 14810.0 C3H7CHO+R2OH<=>R1796C3H6CHO+H2O 4.670E+007 1.610 -35.0 C3H7CHO+R10C2H3V<=>R1796C3H6CHO+C2H4Z 4.000E+011 0.000 16800.0 C3H7CHO+R17C2H5OO<=>R1796C3H6CHO+C2H5OOH 6.320E+001 3.370 13720.0 !DELTA C3H7CHO+R1H<=>R718C3H6CHO+H2 2.63E+05 2.69 6.45E+03 C3H7CHO+R4CH3<=>R718C3H6CHO+CH4 9.04E-01 3.65 7.15E+03 C3H7CHO+B1O<=>R718C3H6CHO+R2OH 2.82E+13 0.00 7.85E+03 C3H7CHO+R11C2H5<=>R718C3H6CHO+C2H6 7.90E+10 0.00 1.23E+04 C3H7CHO+R15C2H5O<=>R718C3H6CHO+C2H5OH 1.50E+11 0.00 7.00E+03 C3H7CHO+R7CH3O<=>R718C3H6CHO+CH3OH 1.50E+11 0.00 7.00E+03 C3H7CHO+O2<=>R718C3H6CHO+R3OOH 3.00E+13 0.00 5.23E+04 C3H7CHO+R3OOH<=>R718C3H6CHO+H2O2 1.02E+01 3.59 1.72E+04 C3H7CHO+R8CH3OO<=>R718C3H6CHO+CH3OOH 6.93E-01 3.97 1.83E+04 C3H7CHO+R2OH<=>R718C3H6CHO+H2O 2.64E+09 0.97 1.59E+03 !R1148C3H7CO<=>R718C3H6CHO 8.6E+0008 1.000 25800.0 R1761C3H6CHO=>R4CH3+C2H3CHOZ 2.0E+0013 0.000 31000.0 R1796C3H6CHO=>R5CHO+C3H6Y 2.0E+0013 0.000 27700.0 C6H11CHOZ+R1H=>H2+RCOC6H11Z 4.0E+0013 0.000 4200.0 ! ALD 8052 C6H11CHOZ+R2OH=>H2O+RCOC6H11Z 4.2E+0012 0.000 500.0 ! ALD 8053 C6H11CHOZ+R3OOH=>H2O2+RCOC6H11Z 1.0E+0012 0.000 10000.0 ! ALD 8054 C6H11CHOZ+R4CH3=>CH4+RCOC6H11Z 2.0E-0006 5.600 2500.0 ! ALD 8055 C6H11CHOZ+R11C2H5=>C2H6+RCOC6H11Z 1.3E+0012 0.000 8500.0 ! ALD 8056 C5H9CHOZ+R1H=>H2+RCOC5H9Z 4.0E+0013 0.000 4200.0 ! ALD 8057 C5H9CHOZ+R2OH=>H2O+RCOC5H9Z 4.2E+0012 0.000 500.0 ! ALD 8058 C5H9CHOZ+R3OOH=>H2O2+RCOC5H9Z 1.0E+0012 0.000 10000.0 ! ALD 8059 C5H9CHOZ+R4CH3=>CH4+RCOC5H9Z 2.0E-0006 5.600 2500.0 ! ALD 8060 C5H9CHOZ+R11C2H5=>C2H6+RCOC5H9Z 1.3E+0012 0.000 8500.0 ! ALD 8061 C4H7CHOZ+R1H=>H2+RCOC4H7Z 4.0E+0013 0.000 4200.0 ! ALD 8062 C4H7CHOZ+R2OH=>H2O+RCOC4H7Z 4.2E+0012 0.000 500.0 ! ALD 8063 C4H7CHOZ+R3OOH=>H2O2+RCOC4H7Z 1.0E+0012 0.000 10000.0 ! ALD 8064 C4H7CHOZ+R4CH3=>CH4+RCOC4H7Z 2.0E-0006 5.600 2500.0 ! ALD 8065 C4H7CHOZ+R11C2H5=>C2H6+RCOC4H7Z 1.3E+0012 0.000 8500.0 ! ALD 8066 C3H5CHOZ+R1H=>H2+RCOC3H5Z 4.0E+0013 0.000 4200.0 ! ALD 8067 C3H5CHOZ+R2OH=>H2O+RCOC3H5Z 4.2E+0012 0.000 500.0 ! ALD 8068 C3H5CHOZ+R3OOH=>H2O2+RCOC3H5Z 1.0E+0012 0.000 10000.0 ! ALD 8069 C3H5CHOZ+R4CH3=>CH4+RCOC3H5Z 2.0E-0006 5.600 2500.0 ! ALD 8070 C3H5CHOZ+R11C2H5=>C2H6+RCOC3H5Z 1.3E+0012 0.000 8500.0 ! ALD 8071 !C4H9CHO+R1H=>H2+R1152C4H9CO 4.0E+0013 0.000 4200.0 ! ALD 8072 !C4H9CHO+R2OH=>H2O+R1152C4H9CO 4.2E+0012 0.000 500.0 ! ALD 8073 !C4H9CHO+R3OOH=>H2O2+R1152C4H9CO 1.0E+0012 0.000 10000.0 ! ALD 8074 !C4H9CHO+R4CH3=>CH4+R1152C4H9CO 2.0E-0006 5.600 2500.0 ! ALD 8075 !C4H9CHO+R11C2H5=>C2H6+R1152C4H9CO 1.3E+0012 0.000 8500.0 ! ALD 8076 !ABSTRACTIONS OF pentanal ! M. Pelucchi et al. / Combustion and Flame 162 (2015) 265–286 !ALFA C4H9CHO+R1H<=>R1152C4H9CO+H2 1.000E+005 2.580 1220.0 C4H9CHO+R2OH<=>R1152C4H9CO+H2O 1.700E+012 0.000 -619.0 C4H9CHO+B1O<=>R1152C4H9CO+R2OH 5.940E+012 0.000 1868.0 C4H9CHO+R3OOH<=>R1152C4H9CO+H2O2 0.950E+004 2.70 11520.0 C4H9CHO+R4CH3<=>R1152C4H9CO+CH4 1.420E-003 4.580 1966.0 C4H9CHO+R11C2H5<=>R1152C4H9CO+C2H6 7.360E+004 2.000 5917.09 C4H9CHO+R7CH3O<=>R1152C4H9CO+CH3OH 1.000E+012 0.000 3300.0 C4H9CHO+R8CH3OO<=>R1152C4H9CO+CH3OOH 3.010E+012 0.000 11920.0 C4H9CHO+O2<=>R1152C4H9CO+R3OOH 9.030E+013 0.000 43320.0 C4H9CHO+R10C2H3V<=>R1152C4H9CO+C2H4Z 3.256E+005 2.000 3965.69 C4H9CHO+R15C2H5O<=>R1152C4H9CO+C2H5OH 6.03E+11 0.000 3300.00 !BETA C4H9CHO+R1H<=>R1151C4H8CHO+H2 2.15E+06 2.29 2.88E+03 C4H9CHO+R4CH3<=>R1151C4H8CHO+CH4 2.55E+01 3.28 5.27E+03 C4H9CHO+B1O<=>R1151C4H8CHO+R2OH 2.16E+11 0.23 2.97E+03 C4H9CHO+R11C2H5<=>R1151C4H8CHO+C2H6 4.50E+10 0.00 8.60E+03 C4H9CHO+R15C2H5O<=>R1151C4H8CHO+C2H5OH 8.64E+11 0.00 4.57E+03 C4H9CHO+R7CH3O<=>R1151C4H8CHO+CH3OH 8.64E+11 0.00 4.57E+03 C4H9CHO+O2<=>R1151C4H8CHO+R3OOH 3.03E+13 0.00 4.59E+04 C4H9CHO+R2OH<=>R1151C4H8CHO+H2O 2.36E+02 3.15 3050.04 !CWZHOU C4H9CHO+R3OOH<=>R1151C4H8CHO+H2O2 2.02E-01 3.82 9348.83 !JORGE MENDES C4H9CHO+R8CH3OO<=>R1151C4H8CHO+CH3OOH 5.16E+12 0.05 1.79E+04 C4H9CHO+R10C2H3V<=>R1151C4H8CHO+C2H4Z 4.50E+10 0.00 5.60E+03 !GAMMA C4H9CHO+R1H<=>R1799C4H8CHO+H2 1.300E+006 2.400 4471.0 C4H9CHO+R4CH3<=>R1799C4H8CHO+CH4 1.510E+000 3.460 5481.0 C4H9CHO+B1O<=>R1799C4H8CHO+R2OH 2.810E+013 0.000 5200.0 C4H9CHO+R11C2H5<=>R1799C4H8CHO+C2H6 5.000E+010 0.000 10400.0 C4H9CHO+R15C2H5O<=>R1799C4H8CHO+C2H5OH 3.000E+011 0.000 7000.0 C4H9CHO+R7CH3O<=>R1799C4H8CHO+CH3OH 3.000E+011 0.000 7000.0 C4H9CHO+O2<=>R1799C4H8CHO+R3OOH 2.000E+013 0.000 49800.0 C4H9CHO+R3OOH<=>R1799C4H8CHO+H2O2 6.320E+001 3.370 13720.0 C4H9CHO+R8CH3OO<=>R1799C4H8CHO+CH3OOH 1.018E+001 3.580 14810.0 C4H9CHO+R2OH<=>R1799C4H8CHO+H2O 4.670E+007 1.610 -35.0 C4H9CHO+R10C2H3V<=>R1799C4H8CHO+C2H4Z 4.000E+011 0.000 16800.0 C4H9CHO+R17C2H5OO<=>R1799C4H8CHO+C2H5OOH 6.320E+001 3.370 13720.0 !DELTA C4H9CHO+R1H<=>R1534C4H8CHO+H2 1.300E+006 2.400 4471.0 C4H9CHO+R4CH3<=>R1534C4H8CHO+CH4 1.510E+000 3.460 5481.0 C4H9CHO+B1O<=>R1534C4H8CHO+R2OH 2.810E+013 0.000 5200.0 C4H9CHO+R11C2H5<=>R1534C4H8CHO+C2H6 5.000E+010 0.000 10400.0 C4H9CHO+R15C2H5O<=>R1534C4H8CHO+C2H5OH 3.000E+011 0.000 7000.0 C4H9CHO+R7CH3O<=>R1534C4H8CHO+CH3OH 3.000E+011 0.000 7000.0 C4H9CHO+O2<=>R1534C4H8CHO+R3OOH 2.000E+013 0.000 49800.0 C4H9CHO+R3OOH<=>R1534C4H8CHO+H2O2 6.320E+001 3.370 13720.0 C4H9CHO+R8CH3OO<=>R1534C4H8CHO+CH3OOH 1.018E+001 3.580 14810.0 C4H9CHO+R2OH<=>R1534C4H8CHO+H2O 4.670E+007 1.610 -35.0 C4H9CHO+R10C2H3V<=>R1534C4H8CHO+C2H4Z 4.000E+011 0.000 16800.0 C4H9CHO+R17C2H5OO<=>R1534C4H8CHO+C2H5OOH 6.320E+001 3.370 13720.0 !EPSILON C4H9CHO+R1H<=>R720C4H8CHO+H2 2.63E+05 2.69 6.45E+03 C4H9CHO+R4CH3<=>R720C4H8CHO+CH4 9.04E-01 3.65 7.15E+03 C4H9CHO+B1O<=>R720C4H8CHO+R2OH 2.82E+13 0.00 7.85E+03 C4H9CHO+R11C2H5<=>R720C4H8CHO+C2H6 7.90E+10 0.00 1.23E+04 C4H9CHO+R15C2H5O<=>R720C4H8CHO+C2H5OH 1.50E+11 0.00 7.00E+03 C4H9CHO+R7CH3O<=>R720C4H8CHO+CH3OH 1.50E+11 0.00 7.00E+03 C4H9CHO+O2<=>R720C4H8CHO+R3OOH 3.00E+13 0.00 5.23E+04 C4H9CHO+R3OOH<=>R720C4H8CHO+H2O2 1.02E+01 3.59 1.72E+04 C4H9CHO+R8CH3OO<=>R720C4H8CHO+CH3OOH 6.93E-01 3.97 1.83E+04 C4H9CHO+R2OH<=>R720C4H8CHO+H2O 2.64E+09 0.97 1.59E+03 C7H13CHOZ+R1H=>H2+RCOC7H13Z 4.0E+0013 0.000 4200.0 ! ALD 8077 C7H13CHOZ+R2OH=>H2O+RCOC7H13Z 4.2E+0012 0.000 500.0 ! ALD 8078 C7H13CHOZ+R3OOH=>H2O2+RCOC7H13Z 1.0E+0012 0.000 10000.0 ! ALD 8079 C7H13CHOZ+R4CH3=>CH4+RCOC7H13Z 2.0E-0006 5.600 2500.0 ! ALD 8080 C7H13CHOZ+R11C2H5=>C2H6+RCOC7H13Z 1.3E+0012 0.000 8500.0 ! ALD 8081 C8H17CHO+R1H=>H2+RCOC8H17 4.0E+0013 0.000 4200.0 ! ALD 8082 C8H17CHO+R2OH=>H2O+RCOC8H17 4.2E+0012 0.000 500.0 ! ALD 8083 C8H17CHO+R3OOH=>H2O2+RCOC8H17 1.0E+0012 0.000 10000.0 ! ALD 8084 C8H17CHO+R4CH3=>CH4+RCOC8H17 2.0E-0006 5.600 2500.0 ! ALD 8085 C8H17CHO+R11C2H5=>C2H6+RCOC8H17 1.3E+0012 0.000 8500.0 ! ALD 8086 C8H15CHOZ+R1H=>H2+RCOC8H15Z 4.0E+0013 0.000 4200.0 ! ALD 8087 C8H15CHOZ+R2OH=>H2O+RCOC8H15Z 4.2E+0012 0.000 500.0 ! ALD 8088 C8H15CHOZ+R3OOH=>H2O2+RCOC8H15Z 1.0E+0012 0.000 10000.0 ! ALD 8089 C8H15CHOZ+R4CH3=>CH4+RCOC8H15Z 2.0E-0006 5.600 2500.0 ! ALD 8090 C8H15CHOZ+R11C2H5=>C2H6+RCOC8H15Z 1.3E+0012 0.000 8500.0 ! ALD 8091 C14H29CHO+R1H=>H2+RCOC14H29 4.0E+0013 0.000 4200.0 ! ALD 8092 C14H29CHO+R2OH=>H2O+RCOC14H29 4.2E+0012 0.000 500.0 ! ALD 8093 C14H29CHO+R3OOH=>H2O2+RCOC14H29 1.0E+0012 0.000 10000.0 ! ALD 8094 C14H29CHO+R4CH3=>CH4+RCOC14H29 2.0E-0006 5.600 2500.0 ! ALD 8095 C14H29CHO+R11C2H5=>C2H6+RCOC14H29 1.3E+0012 0.000 8500.0 ! ALD 8096 C9H19CHO+R1H=>H2+RCOC9H19 4.0E+0013 0.000 4200.0 ! ALD 8097 C9H19CHO+R2OH=>H2O+RCOC9H19 4.2E+0012 0.000 500.0 ! ALD 8098 C9H19CHO+R3OOH=>H2O2+RCOC9H19 1.0E+0012 0.000 10000.0 ! ALD 8099 C9H19CHO+R4CH3=>CH4+RCOC9H19 2.0E-0006 5.600 2500.0 ! ALD 8100 C9H19CHO+R11C2H5=>C2H6+RCOC9H19 1.3E+0012 0.000 8500.0 ! ALD 8101 ! Keto radicals to products of the base and :CO RCOC5H11=>B2CO+R4CH3+2C2H4Z 2.0E+0013 0.000 28700.0 ! COR 8102 RCOC7H15=>B2CO+R4CH3+3C2H4Z 2.0E+0013 0.000 28700.0 ! COR 8103 RCOC8H17=>B2CO+R11C2H5+3C2H4Z 2.0E+0013 0.000 28700.0 ! COR 8104 RCOC14H29=>B2CO+R11C2H5+6C2H4Z 2.0E+0013 0.000 28700.0 ! COR 8105 RCOC9H19=>B2CO+R4CH3+4C2H4Z 2.0E+0013 0.000 28700.0 ! COR 8106 !RCOC2H3Z=>B2CO+R10C2H3V 0.0E+0000 0.000 0.0 ! COR 8107 !RCOC6H11Z=>B2CO+R10C2H3V+2C2H4Z 0.0E+0000 0.000 0.0 ! COR 8108 !RCOC5H9Z=>C2H2T+B2CO+R4CH3+C2H4Z 0.0E+0000 0.000 0.0 ! COR 8109 !RCOC4H7Z=>B2CO+R10C2H3V+C2H4Z 0.0E+0000 0.000 0.0 ! COR 8110 !RCOC3H5Z=>C2H2T+B2CO+R4CH3 0.0E+0000 0.000 0.0 ! COR 8111 !RCOC7H13Z=>C2H2T+B2CO+R4CH3+2C2H4Z 0.0E+0000 0.000 0.0 ! COR 8112 !RCOC8H15Z=>B2CO+R10C2H3V+3C2H4Z 0.0E+0000 0.000 0.0 ! COR 8113 !REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) B2CO+R10C2H3V<=>RCOC2H3Z 1.510E+011 0.000 4810.0 B2CO+R51C6H11V<=>RCOC6H11Z 1.510E+011 0.000 4810.0 B2CO+R54C5H9V<=>RCOC5H9Z 1.510E+011 0.000 4810.0 B2CO+R56C4H7V<=>RCOC4H7Z 1.510E+011 0.000 4810.0 B2CO+RC3H5V<=>RCOC3H5Z 1.510E+011 0.000 4810.0 B2CO+R47C7H13V<=>RCOC7H13Z 1.510E+011 0.000 4810.0 B2CO+R68C8H15V<=>RCOC8H15Z 1.510E+011 0.000 4810.0 ! keto radicals addition to O2 !RCOC2H3Z+O2=>RCOOOC2H3Z 3.0E+0019 -2.500 0.0 ! COR 8114 !RCOC5H11+O2=>RCOOOC5H11 3.0E+0019 -2.500 0.0 ! COR 8115 !RCOC7H15+O2=>RCOOOC7H15 3.0E+0019 -2.500 0.0 ! COR 8116 !RCOC6H11Z+O2=>RCOOOC6H11Z 3.0E+0019 -2.500 0.0 ! COR 8117 !RCOC5H9Z+O2=>RCOOOC5H9Z 3.0E+0019 -2.500 0.0 ! COR 8118 !RCOC4H7Z+O2=>RCOOOC4H7Z 3.0E+0019 -2.500 0.0 ! COR 8119 !RCOC3H5Z+O2=>RCOOOC3H5Z 3.0E+0019 -2.500 0.0 ! COR 8120 !RCOC7H13Z+O2=>RCOOOC7H13Z 3.0E+0019 -2.500 0.0 ! COR 8121 !RCOC8H17+O2=>RCOOOC8H17 3.0E+0019 -2.500 0.0 ! COR 8122 !RCOC8H15Z+O2=>RCOOOC8H15Z 3.0E+0019 -2.500 0.0 ! COR 8123 !RCOC14H29+O2=>RCOOOC14H29 3.0E+0019 -2.500 0.0 ! COR 8124 !RCOC9H19+O2=>RCOOOC9H19 3.0E+0019 -2.500 0.0 ! COR 8125 ! Peracide radical decomposition !RCOOOC2H3Z=>C2H2T+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8126 !RCOOOC5H11=>C5H10Y+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8127 !RCOOOC7H15=>C7H14Z+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8128 !RCOOOC6H11Z=>C6H10Z2+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8129 !RCOOOC5H9Z=>C5H8Z2+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8130 !RCOOOC4H7Z=>C4H6Z2+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8131 !RCOOOC3H5Z=>C3H4Z2+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8132 !RCOOOC7H13Z=>C7H12Z2+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8133 !RCOOOC8H17=>C8H16Z+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8134 !RCOOOC8H15Z=>C8H14Z2+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8135 !RCOOOC14H29=>C14H28Z+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8136 !RCOOOC9H19=>C9H18Z+R2OH+CO2 4.5E+0011 0.000 25000.0 ! PER 8137 ! Ketones reactions C2H6CO+R1H=>H2+CH2COZ+R4CH3 2.7E+0007 2.000 5000.0 ! FCO 8138 C2H6CO+R2OH=>H2O+CH2COZ+R4CH3 7.8E+0006 2.000 -765.0 ! FCO 8139 C2H6CO+R3OOH=>H2O2+CH2COZ+R4CH3 1.2E+0012 0.000 15500.0 ! FCO 8140 C2H6CO+R4CH3=>CH4+CH2COZ+R4CH3 6.0E+0011 0.000 9600.0 ! FCO 8141 C2H6CO+R8CH3OO=>CH3OOH+CH2COZ+R4CH3 6.0E+0011 0.000 9600.0 ! FCO 8142 C2H6CO+R11C2H5=>C2H6+CH2COZ+R4CH3 6.0E+0011 0.000 11000.0 ! FCO 8143 C3H8CO+R1H=>H2+CH2COZ+R11C2H5 2.7E+0007 2.000 5000.0 ! FCO 8144 C3H8CO+R2OH=>H2O+CH2COZ+R11C2H5 7.8E+0006 2.000 -765.0 ! FCO 8145 C3H8CO+R3OOH=>H2O2+CH2COZ+R11C2H5 1.2E+0012 0.000 15500.0 ! FCO 8146 C3H8CO+R4CH3=>CH4+CH2COZ+R11C2H5 6.0E+0011 0.000 9600.0 ! FCO 8147 C3H8CO+R8CH3OO=>CH3OOH+CH2COZ+R11C2H5 6.0E+0011 0.000 9600.0 ! FCO 8148 C3H8CO+R11C2H5=>C2H6+CH2COZ+R11C2H5 6.0E+0011 0.000 11000.0 ! FCO 8149 C7H16CO+R1H=>H2+CH2COZ+R11C2H5+2C2H4Z 2.7E+0007 2.000 5000.0 ! FCO 8150 C7H16CO+R2OH=>H2O+CH2COZ+R11C2H5+2C2H4Z 7.8E+0006 2.000 -765.0 ! FCO 8151 C7H16CO+R3OOH=>H2O2+CH2COZ+R11C2H5+2C2H4Z 1.2E+0012 0.000 15500.0 ! FCO 8152 C7H16CO+R4CH3=>CH4+CH2COZ+R11C2H5+2C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8153 C7H16CO+R8CH3OO=>CH3OOH+CH2COZ+R11C2H5+2C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8154 C7H16CO+R11C2H5=>C2H6+CH2COZ+R11C2H5+2C2H4Z 6.0E+0011 0.000 11000.0 ! FCO 8155 C6H12COZ+R1H=>H2+C2H2T+CH2COZ+R4CH3+C2H4Z 2.7E+0007 2.000 5000.0 ! FCO 8156 C6H12COZ+R2OH=>H2O+C2H2T+CH2COZ+R4CH3+C2H4Z 7.8E+0006 2.000 -765.0 ! FCO 8157 C6H12COZ+R3OOH=>H2O2+C2H2T+CH2COZ+R4CH3+C2H4Z 1.2E+0012 0.000 15500.0 ! FCO 8158 C6H12COZ+R4CH3=>CH4+C2H2T+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8159 C6H12COZ+R8CH3OO=>CH3OOH+C2H2T+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8160 C6H12COZ+R11C2H5=>C2H6+C2H2T+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 11000.0 ! FCO 8161 C7H14COZ+R1H=>H2+CH2COZ+R10C2H3V+2C2H4Z 2.7E+0007 2.000 5000.0 ! FCO 8162 C7H14COZ+R2OH=>H2O+CH2COZ+R10C2H3V+2C2H4Z 7.8E+0006 2.000 -765.0 ! FCO 8163 C7H14COZ+R3OOH=>H2O2+CH2COZ+R10C2H3V+2C2H4Z 1.2E+0012 0.000 15500.0 ! FCO 8164 C7H14COZ+R4CH3=>CH4+CH2COZ+R10C2H3V+2C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8165 C7H14COZ+R8CH3OO=>CH3OOH+CH2COZ+R10C2H3V+2C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8166 C7H14COZ+R11C2H5=>C2H6+CH2COZ+R10C2H3V+2C2H4Z 6.0E+0011 0.000 11000.0 ! FCO 8167 C8H18CO+R1H=>H2+CH2COZ+R4CH3+3C2H4Z 2.7E+0007 2.000 5000.0 ! FCO 8168 C8H18CO+R2OH=>H2O+CH2COZ+R4CH3+3C2H4Z 7.8E+0006 2.000 -765.0 ! FCO 8169 C8H18CO+R3OOH=>H2O2+CH2COZ+R4CH3+3C2H4Z 1.2E+0012 0.000 15500.0 ! FCO 8170 C8H18CO+R4CH3=>CH4+CH2COZ+R4CH3+3C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8171 C8H18CO+R8CH3OO=>CH3OOH+CH2COZ+R4CH3+3C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8172 C8H18CO+R11C2H5=>C2H6+CH2COZ+R4CH3+3C2H4Z 6.0E+0011 0.000 11000.0 ! FCO 8173 C5H10COZ+R1H=>H2+CH2COZ+R10C2H3V+C2H4Z 2.7E+0007 2.000 5000.0 ! FCO 8174 C5H10COZ+R2OH=>H2O+CH2COZ+R10C2H3V+C2H4Z 7.8E+0006 2.000 -765.0 ! FCO 8175 C5H10COZ+R3OOH=>H2O2+CH2COZ+R10C2H3V+C2H4Z 1.2E+0012 0.000 15500.0 ! FCO 8176 C5H10COZ+R4CH3=>CH4+CH2COZ+R10C2H3V+C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8177 C5H10COZ+R8CH3OO=>CH3OOH+CH2COZ+R10C2H3V+C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8178 C5H10COZ+R11C2H5=>C2H6+CH2COZ+R10C2H3V+C2H4Z 6.0E+0011 0.000 11000.0 ! FCO 8179 C4H10CO+R1H=>H2+CH2COZ+R4CH3+C2H4Z 2.7E+0007 2.000 5000.0 ! FCO 8180 C4H10CO+R2OH=>H2O+CH2COZ+R4CH3+C2H4Z 7.8E+0006 2.000 -765.0 ! FCO 8181 C4H10CO+R3OOH=>H2O2+CH2COZ+R4CH3+C2H4Z 1.2E+0012 0.000 15500.0 ! FCO 8182 C4H10CO+R4CH3=>CH4+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8183 C4H10CO+R8CH3OO=>CH3OOH+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8184 C4H10CO+R11C2H5=>C2H6+CH2COZ+R4CH3+C2H4Z 6.0E+0011 0.000 11000.0 ! FCO 8185 C5H12CO+R1H=>H2+CH2COZ+R11C2H5+C2H4Z 2.7E+0007 2.000 5000.0 ! FCO 8186 C5H12CO+R2OH=>H2O+CH2COZ+R11C2H5+C2H4Z 7.8E+0006 2.000 -765.0 ! FCO 8187 C5H12CO+R3OOH=>H2O2+CH2COZ+R11C2H5+C2H4Z 1.2E+0012 0.000 15500.0 ! FCO 8188 C5H12CO+R4CH3=>CH4+CH2COZ+R11C2H5+C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8189 C5H12CO+R8CH3OO=>CH3OOH+CH2COZ+R11C2H5+C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8190 C5H12CO+R11C2H5=>C2H6+CH2COZ+R11C2H5+C2H4Z 6.0E+0011 0.000 11000.0 ! FCO 8191 C6H14CO+R1H=>H2+CH2COZ+R4CH3+2C2H4Z 2.7E+0007 2.000 5000.0 ! FCO 8192 C6H14CO+R2OH=>H2O+CH2COZ+R4CH3+2C2H4Z 7.8E+0006 2.000 -765.0 ! FCO 8193 C6H14CO+R3OOH=>H2O2+CH2COZ+R4CH3+2C2H4Z 1.2E+0012 0.000 15500.0 ! FCO 8194 C6H14CO+R4CH3=>CH4+CH2COZ+R4CH3+2C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8195 C6H14CO+R8CH3OO=>CH3OOH+CH2COZ+R4CH3+2C2H4Z 6.0E+0011 0.000 9600.0 ! FCO 8196 C6H14CO+R11C2H5=>C2H6+CH2COZ+R4CH3+2C2H4Z 6.0E+0011 0.000 11000.0 ! FCO 8197 C4H8COZ+R1H=>H2+C2H2T+CH2COZ+R4CH3 2.7E+0007 2.000 5000.0 ! FCO 8198 C4H8COZ+R2OH=>H2O+C2H2T+CH2COZ+R4CH3 7.8E+0006 2.000 -765.0 ! FCO 8199 C4H8COZ+R3OOH=>H2O2+C2H2T+CH2COZ+R4CH3 1.2E+0012 0.000 15500.0 ! FCO 8200 C4H8COZ+R4CH3=>CH4+C2H2T+CH2COZ+R4CH3 6.0E+0011 0.000 9600.0 ! FCO 8201 C4H8COZ+R8CH3OO=>CH3OOH+C2H2T+CH2COZ+R4CH3 6.0E+0011 0.000 9600.0 ! FCO 8202 C4H8COZ+R11C2H5=>C2H6+C2H2T+CH2COZ+R4CH3 6.0E+0011 0.000 11000.0 ! FCO 8203 C3H6COZ+R1H=>H2+CH2COZ+R10C2H3V 2.7E+0007 2.000 5000.0 ! FCO 8204 C3H6COZ+R2OH=>H2O+CH2COZ+R10C2H3V 7.8E+0006 2.000 -765.0 ! FCO 8205 C3H6COZ+R3OOH=>H2O2+CH2COZ+R10C2H3V 1.2E+0012 0.000 15500.0 ! FCO 8206 C3H6COZ+R4CH3=>CH4+CH2COZ+R10C2H3V 6.0E+0011 0.000 9600.0 ! FCO 8207 C3H6COZ+R8CH3OO=>CH3OOH+CH2COZ+R10C2H3V 6.0E+0011 0.000 9600.0 ! FCO 8208 C3H6COZ+R11C2H5=>C2H6+CH2COZ+R10C2H3V 6.0E+0011 0.000 11000.0 ! FCO 8209 ! Alkohol ene to dienes C3H5OHZ+R1H=>H2+R2OH+C3H4Z2 9.0E+0006 2.000 5000.0 ! ROH 8210 C3H5OHZ+R2OH=>H2O+R2OH+C3H4Z2 1.3E+0006 2.000 -765.0 ! ROH 8211 C3H5OHZ+R3OOH=>H2O2+R2OH+C3H4Z2 4.0E+0011 0.000 15500.0 ! ROH 8212 C3H5OHZ+R4CH3=>CH4+R2OH+C3H4Z2 2.0E+0011 0.000 9600.0 ! ROH 8213 !C3H5OHZ+R8CH3OO=>CH3OOH+R2OH+C3H4Z2 0.0E+0000 0.000 0.0 ! ROH 8214 C3H5OHZ+R11C2H5=>C2H6+R2OH+C3H4Z2 2.0E+0011 0.000 11000.0 ! ROH 8215 C8H15OHZ+R1H=>H2+R2OH+C8H14Z2 9.0E+0006 2.000 5000.0 ! ROH 8216 C8H15OHZ+R2OH=>H2O+R2OH+C8H14Z2 1.3E+0006 2.000 -765.0 ! ROH 8217 C8H15OHZ+R3OOH=>H2O2+R2OH+C8H14Z2 4.0E+0011 0.000 15500.0 ! ROH 8218 C8H15OHZ+R4CH3=>CH4+R2OH+C8H14Z2 2.0E+0011 0.000 9600.0 ! ROH 8219 !C8H15OHZ+R8CH3OO=>CH3OOH+R2OH+C8H14Z2 0.0E+0000 0.000 0.0 ! ROH 8220 C8H15OHZ+R11C2H5=>C2H6+R2OH+C8H14Z2 2.0E+0011 0.000 11000.0 ! ROH 8221 C6H11OHZ+R1H=>H2+R2OH+C6H10Z2 9.0E+0006 2.000 5000.0 ! ROH 8222 C6H11OHZ+R2OH=>H2O+R2OH+C6H10Z2 1.3E+0006 2.000 -765.0 ! ROH 8223 C6H11OHZ+R3OOH=>H2O2+R2OH+C6H10Z2 4.0E+0011 0.000 15500.0 ! ROH 8224 C6H11OHZ+R4CH3=>CH4+R2OH+C6H10Z2 2.0E+0011 0.000 9600.0 ! ROH 8225 !C6H11OHZ+R8CH3OO=>CH3OOH+R2OH+C6H10Z2 0.0E+0000 0.000 0.0 ! ROH 8226 C6H11OHZ+R11C2H5=>C2H6+R2OH+C6H10Z2 2.0E+0011 0.000 11000.0 ! ROH 8227 C7H13OHZ+R1H=>H2+R2OH+C7H12Z2 9.0E+0006 2.000 5000.0 ! ROH 8228 C7H13OHZ+R2OH=>H2O+R2OH+C7H12Z2 1.3E+0006 2.000 -765.0 ! ROH 8229 C7H13OHZ+R3OOH=>H2O2+R2OH+C7H12Z2 4.0E+0011 0.000 15500.0 ! ROH 8230 C7H13OHZ+R4CH3=>CH4+R2OH+C7H12Z2 2.0E+0011 0.000 9600.0 ! ROH 8231 !C7H13OHZ+R8CH3OO=>CH3OOH+R2OH+C7H12Z2 0.0E+0000 0.000 0.0 ! ROH 8232 C7H13OHZ+R11C2H5=>C2H6+R2OH+C7H12Z2 2.0E+0011 0.000 11000.0 ! ROH 8233 C5H9OHZ+R1H=>H2+R2OH+C5H8Z2 9.0E+0006 2.000 5000.0 ! ROH 8234 C5H9OHZ+R2OH=>H2O+R2OH+C5H8Z2 1.3E+0006 2.000 -765.0 ! ROH 8235 C5H9OHZ+R3OOH=>H2O2+R2OH+C5H8Z2 4.0E+0011 0.000 15500.0 ! ROH 8236 C5H9OHZ+R4CH3=>CH4+R2OH+C5H8Z2 2.0E+0011 0.000 9600.0 ! ROH 8237 !C5H9OHZ+R8CH3OO=>CH3OOH+R2OH+C5H8Z2 0.0E+0000 0.000 0.0 ! ROH 8238 C5H9OHZ+R11C2H5=>C2H6+R2OH+C5H8Z2 2.0E+0011 0.000 11000.0 ! ROH 8239 C4H7OHZ+R1H=>H2+R2OH+C4H6Z2 9.0E+0006 2.000 5000.0 ! ROH 8240 C4H7OHZ+R2OH=>H2O+R2OH+C4H6Z2 1.3E+0006 2.000 -765.0 ! ROH 8241 C4H7OHZ+R3OOH=>H2O2+R2OH+C4H6Z2 4.0E+0011 0.000 15500.0 ! ROH 8242 C4H7OHZ+R4CH3=>CH4+R2OH+C4H6Z2 2.0E+0011 0.000 9600.0 ! ROH 8243 !C4H7OHZ+R8CH3OO=>CH3OOH+R2OH+C4H6Z2 0.0E+0000 0.000 0.0 ! ROH 8244 C4H7OHZ+R11C2H5=>C2H6+R2OH+C4H6Z2 2.0E+0011 0.000 11000.0 ! ROH 8245 C3H5OHY+R1H=>H2+R2OH+C3H4YZ 9.0E+0006 2.000 5000.0 ! ROH 8246 C3H5OHY+R2OH=>H2O+R2OH+C3H4YZ 1.3E+0006 2.000 -765.0 ! ROH 8247 C3H5OHY+R3OOH=>H2O2+R2OH+C3H4YZ 4.0E+0011 0.000 15500.0 ! ROH 8248 C3H5OHY+R4CH3=>CH4+R2OH+C3H4YZ 2.0E+0011 0.000 9600.0 ! ROH 8249 !C3H5OHY+R8CH3OO=>CH3OOH+R2OH+C3H4YZ 0.0E+0000 0.000 0.0 ! ROH 8250 C3H5OHY+R11C2H5=>C2H6+R2OH+C3H4YZ 2.0E+0011 0.000 11000.0 ! ROH 8251 C4H7OHY+R1H=>H2+R2OH+C4H6YZ 9.0E+0006 2.000 5000.0 ! ROH 8252 C4H7OHY+R2OH=>H2O+R2OH+C4H6YZ 1.3E+0006 2.000 -765.0 ! ROH 8253 C4H7OHY+R3OOH=>H2O2+R2OH+C4H6YZ 4.0E+0011 0.000 15500.0 ! ROH 8254 C4H7OHY+R4CH3=>CH4+R2OH+C4H6YZ 2.0E+0011 0.000 9600.0 ! ROH 8255 !C4H7OHY+R8CH3OO=>CH3OOH+R2OH+C4H6YZ 0.0E+0000 0.000 0.0 ! ROH 8256 C4H7OHY+R11C2H5=>C2H6+R2OH+C4H6YZ 2.0E+0011 0.000 11000.0 ! ROH 8257 C9H17OHZ+R1H=>H2+R2OH+C9H16Z2 9.0E+0006 2.000 5000.0 ! ROH 8258 C9H17OHZ+R2OH=>H2O+R2OH+C9H16Z2 1.3E+0006 2.000 -765.0 ! ROH 8259 C9H17OHZ+R3OOH=>H2O2+R2OH+C9H16Z2 4.0E+0011 0.000 15500.0 ! ROH 8260 C9H17OHZ+R4CH3=>CH4+R2OH+C9H16Z2 2.0E+0011 0.000 9600.0 ! ROH 8261 !C9H17OHZ+R8CH3OO=>CH3OOH+R2OH+C9H16Z2 0.0E+0000 0.000 0.0 ! ROH 8262 C9H17OHZ+R11C2H5=>C2H6+R2OH+C9H16Z2 2.0E+0011 0.000 11000.0 ! ROH 8263 ! Additions on dienes !Rates changed to that of !Liu et al. JPC 1988, 92, 131-134 C4H6Z2+R2OH=>R25C3H5Y+HCHO 8.43E+0012 0.000 -874.3 ! AD 8264 !C8H14Z2 is treated mostly 1,4 ! < lr21 > R1757C7H13Z .ch2/ch2/ch//ch/ch2/ch2/ch3 C8H14Z2+R2OH=>R1757C7H13Z+HCHO 8.43E+0012 0.000 -874.3 ! AD 8265 R1757C7H13Z=>C2H4Z+R54C5H9V 2.0E+0013 0.000 35500.0 ! DE 6820 CN C8H14Z213+R2OH=>R45C7H13X+HCHO 8.43E+0012 0.000 -874.3 ! AD 8265 !C5H8Z2 is mostly 1,4 C5H8Z2+R2OH=>R24C4H7Z+HCHO 8.43E+0012 0.000 -874.3 ! AD 8266 !C6H10Z2 is mostly 1,5 C6H10Z2+R2OH=>R23C5H9Z+HCHO 8.43E+0012 0.000 -874.3 ! AD 8267 !C7H12Z2 is mostly 1,6 C7H12Z2+R2OH=>R22C6H11Z+HCHO 8.43E+0012 0.000 -874.3 ! AD 8268 C3H4Z2+R2OH=>R10C2H3V+HCHO 8.43E+0012 0.000 -874.3 ! AD 8269 C9H16Z2+R2OH=>RC8H15Y+HCHO 8.43E+0012 0.000 -874.3 ! AD 8270 !Anology to C4H6Z2 !Liu et al. JPC 1988, 92, 131-134 C8H14Z2+R2OH=CH3CHO+R49C6H11X 8.43E+0012 0.000 -874.3 C8H14Z2+R1H=R49C6H11X+C2H4Z 4.0E+13 0.0 5000. ! Hidaka et al. C8H14Z213+R2OH=CH3CHO+R51C6H11V 8.43E+0012 0.000 -874.3 C8H14Z213+R1H=R51C6H11V+C2H4Z 4.0E+13 0.0 5000. ! Hidaka et al. C5H8Z2+R2OH=CH3CHO+R25C3H5Y 8.43E+0012 0.000 -874.3 C5H8Z2+R1H=R25C3H5Y+C2H4Z 4.0E+13 0.0 5000. ! Hidaka et al. C6H10Z2+R2OH=CH3CHO+R24C4H7Z 8.43E+0012 0.000 -874.3 C6H10Z2+R1H=R24C4H7Z+C2H4Z 4.0E+13 0.0 5000. ! Hidaka et al. C7H12Z2+R2OH=CH3CHO+R23C5H9Z 8.43E+0012 0.000 -874.3 C7H12Z2+R1H=R23C5H9Z+C2H4Z 4.0E+13 0.0 5000. ! Hidaka et al. !REACTIONS DE C4H6Z2 ***** 1,3 Butadiene (CH2CHCHCH2) ***** R10C2H3V+R10C2H3V=C4H6Z2 9.8E14 -0.5 0.0 !! C4H6Z2+R2OH=CH3CHO+R10C2H3V 8.43E+0012 0.000 -874.3 C4H6Z2+R1H=R10C2H3V+C2H4Z 4.0E+13 0.0 5000. ! Hidaka et al. C4H6Z2+R10C2H3V=dC6H9Z#6 7.7E+13 -1.35 3994. ! Westmoreland 1989 ! Diels Alder C4H6Z2+C2H4Z=>C6H10Z#6 3.0E+0010 0.000 27500.0 ! DA 8271 ! One more path to form C6H10Z#6 ! Sirjean et al. JPCA 2008, 112, 11598–11610 .C6H11#6=R22C6H11Z 2.75E+12 0.624 30810.0 ! Sirjean et al. JPCA 2008, 112, 11598–11610 .C6H11#6=C6H10Z#6+R1H 8.90E+11 0.834 36340.0 !Para Ref: Z. Serinyel et al. / Combustion and Flame 160 (2013) 2319–2332 .C6H11#6+O2=>C6H10Z#6+R3OOH 7.90E+12 0.00 5000. ! (10 x 2° alkylic H) C8H14Z2+C2H4Z=>C10H18Z#6 3.0E+0010 0.000 27500.0 ! DA 8272 C8H14Z213+C2H4Z=>C10H18Z#6 3.0E+0010 0.000 27500.0 ! DA 8272 C5H8Z2+C2H4Z=>C7H12Z#6 3.0E+0010 0.000 27500.0 ! DA 8273 C6H10Z2+C2H4Z<=>C8H14Z#6 3.0E+0010 0.000 27500.0 ! DA 8274 ! One more path to form C8H14Z#6 of little importance ! Sirjean et al. JPCA 2008, 112, 11598–11610 !RC8H15#6-2<=>R33C8H15Z 2.75E+12 0.624 30810.0 !RC8H15#6-2<=>C8H14#6Z+R1H 8.90E+11 0.834 36340.0 !RC8H15#6-2+O2=>C8H14#6Z+R3OOH 4.5E+11 0.00 5000. ! (3° alkylic H) ! Sirjean et al. JPCA 2008, 112, 11598–11610 !RC8H15#6-1<=>R32C8H15Z 2.75E+12 0.624 30810.0 !Wang et al. J. Phys. Chem. A 2015, 119, 7205−7221 !R32C8H15Z<=>RC8H15#6-1 2.79E+06 0.960 6000.0 !Reduced by 2 to reduce the inhibitting effect R32C8H15Z<=>RC8H15#6-1 1.40E+06 0.960 6000.0 ! Sirjean et al. JPCA 2008, 112, 11598–11610 RC8H15#6-1<=>C8H14Z#6+R1H 8.90E+11 0.834 36340.0 RC8H15#6-1+O2=>C8H14Z#6+R3OOH 15.8E+11 0.00 5000. ! (2 x 2° alkylic H) !Wang et al. Combustion and Flame 162 (2015) 2873–2892 C8H14Z#6=C4H8Y+C4H6Z2 5.0E+78 -18.94 98386 ! ref to cC6H10 = C4H6+C2H4 PLOG / 0.039 5.0E+78 -18.94 98386 / PLOG / 0.197 2.60E+70 -16.36 95510 / PLOG / 1.0 3.81E+25 -3.58 64034 / PLOG / 1.0E+5 8.31E+13 0.387 64116 / C8H14Z#6 = dC6H9Z#6+R11C2H5 1.00 0.00 0.00 ! Ref to CH3cC6H11 = cC6H11+CH3 PLOG / 0.01 1.85E+105 -26.15 129214 / PLOG / 0.0395 1.19E+92 -22.23 122595 / PLOG / 0.197 1.50E+80 -18.67 116938 / PLOG / 0.395 8.65E+63 -13.89 108211 / PLOG / 1 5.93E+64 -14.15 108486 / PLOG / 10 3.59E+45 -8.56 97430 / PLOG / 100 1.66E+33 -4.99 90100 / PLOG / 1.0E+5 1.10E+27 -3.20 86385 / ! Reference to C4H6Z2+R10C2H3V=dC6H9Z#6 C6H10Z2+R10C2H3V=.C8H13Z#6 7.7E+13 -1.35 3994. !Wang et al. J. Phys. Chem. A 2015, 119, 7205−7221 R33C8H15Z<=>RC8H15#7-1 3.98E+04 1.270 6200.0 ! Sirjean et al. JPCA 2008, 112, 11598–11610 RC8H15#7-1<=>C8H14Z#7+R1H 8.90E+11 0.834 36340.0 RC8H15#7-1+O2=>C8H14Z#7+R3OOH 15.8E+11 0.00 5000. ! (2 x 2° alkylic H) C7H12Z2+C2H4Z=>C9H16Z#6 3.0E+0010 0.000 27500.0 ! DA 8275 C4H6YZ+C2H4Z=>C6H10Z#6 3.0E+0010 0.000 27500.0 ! DA 8276 C9H16Z2+C2H4Z=>C11H20Z#6 3.0E+0010 0.000 27500.0 ! DA 8277 ! .Y termination RC7H13Y+R1H=>C7H14Y 1.0E+0013 0.000 0.0 ! TER 8278 RC7H13Y+R2OH=>C7H13OHY 1.0E+0013 0.000 0.0 ! TER 8279 RC7H13Y+R3OOH=>C7H13OOHY 5.0E+0012 0.000 0.0 ! TER 8280 RC7H13Y+R4CH3=>C8H16Y 1.0E+0013 0.000 0.0 ! TER 8281 RC7H13Y+R5CHO=>C7H13CHOY 1.0E+0013 0.000 0.0 ! TER 8282 RC7H13Y+R6CH2OH=>C8H15OHY 1.0E+0013 0.000 0.0 ! TER 8283 RC7H13Y+R8CH3OO=>C8H16OOY 1.0E+0013 0.000 0.0 ! TER 8284 RC7H13Y+R11C2H5=>C9H18Y 1.0E+0013 0.000 0.0 ! TER 8285 RC6H11Y+R1H=>C6H12Y 1.0E+0013 0.000 0.0 ! TER 8286 RC6H11Y+R2OH=>C6H11OHY 1.0E+0013 0.000 0.0 ! TER 8287 RC6H11Y+R3OOH=>C6H11OOHY 5.0E+0012 0.000 0.0 ! TER 8288 RC6H11Y+R4CH3=>C7H14Y 1.0E+0013 0.000 0.0 ! TER 8289 RC6H11Y+R5CHO=>C6H11CHOY 1.0E+0013 0.000 0.0 ! TER 8290 RC6H11Y+R6CH2OH=>C7H13OHY 1.0E+0013 0.000 0.0 ! TER 8291 RC6H11Y+R8CH3OO=>C7H14OOY 1.0E+0013 0.000 0.0 ! TER 8292 RC6H11Y+R11C2H5=>C8H16Y 1.0E+0013 0.000 0.0 ! TER 8293 RC9H17Y+R1H=>C9H18Y 1.0E+0013 0.000 0.0 ! TER 8294 RC9H17Y+R2OH=>C9H17OHY 1.0E+0013 0.000 0.0 ! TER 8295 RC9H17Y+R3OOH=>C9H17OOHY 5.0E+0012 0.000 0.0 ! TER 8296 RC9H17Y+R4CH3=>C10H20Y 1.0E+0013 0.000 0.0 ! TER 8297 RC9H17Y+R5CHO=>C9H17CHOY 1.0E+0013 0.000 0.0 ! TER 8298 RC9H17Y+R6CH2OH=>C10H19OHY 1.0E+0013 0.000 0.0 ! TER 8299 RC9H17Y+R8CH3OO=>C10H20OOY 1.0E+0013 0.000 0.0 ! TER 8300 RC9H17Y+R11C2H5=>C11H22Y 1.0E+0013 0.000 0.0 ! TER 8301 RC8H15Y+R1H=>C8H16Y 1.0E+0013 0.000 0.0 ! TER 8302 RC8H15Y+R2OH=>C8H15OHY 1.0E+0013 0.000 0.0 ! TER 8303 RC8H15Y+R3OOH=>C8H15OOHY 5.0E+0012 0.000 0.0 ! TER 8304 RC8H15Y+R4CH3=>C9H18Y 1.0E+0013 0.000 0.0 ! TER 8305 RC8H15Y+R5CHO=>C8H15CHOY 1.0E+0013 0.000 0.0 ! TER 8306 RC8H15Y+R6CH2OH=>C9H17OHY 1.0E+0013 0.000 0.0 ! TER 8307 RC8H15Y+R8CH3OO=>C9H18OOY 1.0E+0013 0.000 0.0 ! TER 8308 RC8H15Y+R11C2H5=>C10H20Y 1.0E+0013 0.000 0.0 ! TER 8309 RC7H13Y+RC7H13Y=>C14H26Y2 1.0E+0013 0.000 0.0 ! TER 8310 RC7H13Y+RC6H11Y=>C13H24Y2 1.0E+0013 0.000 0.0 ! TER 8311 RC7H13Y+RC9H17Y=>C16H30Y2 1.0E+0013 0.000 0.0 ! TER 8312 RC7H13Y+RC8H15Y=>C15H28Y2 1.0E+0013 0.000 0.0 ! TER 8313 RC6H11Y+RC6H11Y=>C12H22Y2 1.0E+0013 0.000 0.0 ! TER 8314 RC6H11Y+RC9H17Y=>C15H28Y2 1.0E+0013 0.000 0.0 ! TER 8315 RC6H11Y+RC8H15Y=>C14H26Y2 1.0E+0013 0.000 0.0 ! TER 8316 RC9H17Y+RC9H17Y=>C18H34Y2 1.0E+0013 0.000 0.0 ! TER 8317 RC9H17Y+RC8H15Y=>C17H32Y2 1.0E+0013 0.000 0.0 ! TER 8318 RC8H15Y+RC8H15Y=>C16H30Y2 1.0E+0013 0.000 0.0 ! TER 8319 ! Pascal C0 C2 lumped data base ********************************************* ! VERSION X.X 01/2002 ************************************************** !REACTIONS DE LA MATRICE O(0)C(y)H(z)! !REACTIONS DE H2! R1H+R1H+M=H2+M 1.87E18 -1.00 0.0 !(1,-1)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ H2/0.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ !REACTIONS DE B4CH! B4CH+R1H=B3C+H2 7.8E13 0. 0. !(2,-2)! !REACTIONS DE B6CH2! B6CH2+M=B5CH2+M 1.51E13 0.0 0.0 !(3,-3)! N2/.4/ O2/.4/ B2CO/.75/ CO2/1.5/ H2O/6.5/ CH4/.48/ HE/0.35/ C2H4Z/1.6/ AR/.24/ B6CH2+R1H=B4CH+H2 3.0E13 0. 0. !(4,-4)! !REACTIONS DE B5CH2! B5CH2+R1H=B4CH+H2 6.0E12 0. -1.8E3 !(5,-5)! B5CH2+B3C=R9C2HT+R1H 5.0E13 0. 0. !(6,-6)! B5CH2+B5CH2=>C2H2T+R1H+R1H 1.2E14 0. 0.8E3 !(7)! !REACTIONS DE R4CH3! R4CH3+M=B5CH2+R1H+M 2.91E16 0.0 90.7E3 !(8,-8)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ R4CH3+R1H=B6CH2+H2 6.0E13 0. 15.0E3 !(9,-9)! R4CH3+B4CH=R10C2H3V+R1H 3.0E13 0. 0. !(10,-10) R4CH3+B6CH2=C2H4Z+R1H 1.8E13 0. 0. !(11,-11)! R4CH3+B5CH2=C2H4Z+R1H 4.2E13 0. 0. !(12,-12)! R4CH3+B3C=C2H2T+R1H 5.0E13 0. 0. !(13,-13)! R4CH3+R4CH3(+M)=>C2H6(+M) 3.61E13 0. 0. !(14)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ LOW / 3.63E41 -7.0 2.76E3 / TROE / 0.62 73 1180 / C2H6(+M)=>R4CH3+R4CH3(+M) 1.8E21 -1.24 90.9E3 !(-14)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ LOW / 1.89E49 -8.24 93.7E3/ TROE / 0.62 73 1180 / R4CH3+R4CH3=R11C2H5+R1H 3.0E13 0. 13.5E3 !(15,-15)! R4CH3+R4CH3=C2H4Z+H2 2.1E14 0. 19.3E3 !(16,-16)! !REACTIONS DE CH4! R1H+R4CH3(+M)=>CH4(+M) 1.67E14 0. 0. !(17)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ LOW / 1.408E24 -1.8 0.0 / TROE / 0.37 3315 61 / CH4(+M)=>R4CH3+R1H(+M) 2.4E16 0. 105.0E3 !(-17)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/0.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ LOW / 1.29E18 0.00 90.9E3 / TROE / 0 1350 1 7830 / CH4(+CH4)=>R4CH3+R1H(+CH4) 2.4E16 0. 105.0E3 !(-17')! LOW / 8.43E17 0.00 90.9E3 / TROE / 0.69 90 2210 / CH4+R1H=R4CH3+H2 1.3E04 3. 8.0E3 !(18,-18)! CH4+B4CH=C2H4Z+R1H 3.0E13 0. -0.4E3 !(19,-19)! CH4+B6CH2=R4CH3+R4CH3 4.2E13 0. 0. !(20,-20)! !REACTIONS DE R9C2HT! R9C2HT+B6CH2=C2H2T+B4CH 1.8E13 0. 0. !(21,-21)! R9C2HT+B5CH2=C2H2T+B4CH 1.8E13 0. 0. !(22,-22)! R9C2HT+CH4=C2H2T+R4CH3 1.2E12 0. 0. !(23,-23)! !REACTIONS DE C2H2T! C2H2T+M=R9C2HT+R1H+M 1.14E17 0. 107.0E3 !(24,-24)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ C2H2T+R1H=R9C2HT+H2 6.6E13 0. 27.7E3 !(25,-25)! !REACTIONS DE R10C2H3V! R10C2H3V(+M)=C2H2T+R1H(+M) 2.0E14 0. 39.8E3 !(26,-26)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ LOW / 1.19E42 -7.50 45.55E3 / TROE /0.35 1.0 1.E8/ R10C2H3V+R1H=C2H2T+H2 1.2E13 0. 0. !(27,-27)! R10C2H3V+B6CH2=C2H2T+R4CH3 1.8E13 0. 0. !(28,-28)! R10C2H3V+B5CH2=C2H2T+R4CH3 1.8E13 0. 0. !(29,-29)! R10C2H3V+R4CH3=CH4+C2H2T 3.9E11 0. 0. !(30,-30)! R10C2H3V+R9C2HT=2C2H2T 9.6E11 0. 0. !(31,-31)! R10C2H3V+R10C2H3V=C2H4Z+C2H2T 9.6E11 0. 0. !(32,-32)! !REACTIONS DE C2H4Z! C2H4Z+M=C2H2T+H2+M 9.97E16 0. 71.6E3 !(33,-33)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ C2H4Z+M=R10C2H3V+R1H+M 7.40E17 0. 96.7E3 !(34,-34)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ C2H4Z+R1H=R10C2H3V+H2 5.0E7 1.93 13.0E3 !(35,-35)SLAGLE96! C2H4Z+R4CH3=CH4+R10C2H3V 6.3E11 0. 16.0E3 !(36,-36)BACK89! !REACTIONS DE R11C2H5! R11C2H5(+M)=C2H4Z+R1H(+M) 8.2E13 0. 40.0E3 !(37,-37) BAULCH94! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ LOW / 3.40E17 0.00 33.4E3 / TROE / 0.75 97 1379/ R11C2H5+R1H=C2H4Z+H2 1.8E12 0. 0. !(38,-38)! R11C2H5+R1H=C2H6 3.6E13 0. 0. !(39,-39>! R11C2H5+B6CH2=C2H4Z+R4CH3 9.0E12 0. 0. !(40,-40)! R11C2H5+B5CH2=C2H4Z+R4CH3 1.8E13 0. 0. !(41,-41)! R11C2H5+R4CH3=C2H4Z+CH4 1.1E12 0. 0. !(42,-42)! R11C2H5+R9C2HT=C2H2T+C2H4Z 1.8E12 0 0. !(43,-43)! R11C2H5+R10C2H3V=2C2H4Z 4.8E11 0. 0. !(44,-44)! R11C2H5+R10C2H3V=C2H2T+C2H6 4.8E11 0. 0. !(45,-45)! R11C2H5+R11C2H5=C2H4Z+C2H6 1.4E12 0. 0. !(46,-46)! !REACTIONS DE C2H6! C2H6+M=C2H4Z+H2+M 2.3E17 0. 67.4E3 !(47,-47)! C2H6+R1H=R11C2H5+H2 1.4E9 1.5 7.4E3 !(48,-48)! C2H6+B6CH2=R4CH3+R11C2H5 1.1E14 0. 0. !(49,-49)! C2H6+R4CH3=R11C2H5+CH4 1.5E-7 6.0 5.8E3 !(50,-50)! C2H6+R9C2HT=C2H2T+R11C2H5 3.6E12 0. 0. !(51,-51)! C2H6+R10C2H3V=R11C2H5+C2H4Z 6.0E2 3.3 10.5E3 !(52,-52)! !***************************************************************************! !***************************************************************************! !REACTIONS DE LA MATRICE O(x)C(y)H(z) x>0 ! !REACTIONS DE B1O! B1O+H2=R2OH+R1H 5.1E4 2.67 6.2E3 !(53,-53)! B1O+B4CH=B2CO+R1H 3.9E13 0. 0. !(54,-54)! B1O+B4CH=B3C+R2OH 1.5E13 0. 4.7E3 !(55,-55)! B1O+B6CH2=>B2CO+2R1H 1.5E13 0. 0. !(56) ! B1O+B6CH2=B2CO+H2 1.5E13 0. 0. !(57,-57) ! B1O+B5CH2=>B2CO+2R1H 7.2E13 0. 0. !(58) ! B1O+B5CH2=B2CO+H2 4.8E13 0. 0. !(59,-59)! B1O+R4CH3=HCHO+R1H 8.4E13 0. 0. !(60,-60)! B1O+R4CH3=R7CH3O 8.0E15 -2.12 0.6E3 !(61,-61)! B1O+CH4=R4CH3+R2OH 7.2E8 1.56 8.4E3 !(62,-62)! B1O+R9C2HT=B4CH+B2CO 1.0E13 0. 0. !(63,-63)! B1O+C2H2T=B5CH2+B2CO 2.17E06 2.1 1.6E3 !(64,-64)! B1O+C2H2T=R12CHCOV+R1H 5.06E06 2.1 1.6E3 !(65,-65)! B1O+R10C2H3V=R4CH3+B2CO 3.0E13 0. 0. !(66,-66)! B1O+R10C2H3V=CH2COZ+R1H 9.6E13 0. 0. !(67,-67)! B1O+C2H4Z=R4CH3+R5CHO 8.1E6 1.88 0.2E3 !(68,-68)! B1O+C2H4Z=HCHO+B5CH2 4.00E5 1.88 0.2E3 !(69,-69)! B1O+C2H4Z=CH2COZ+H2 6.6E5 1.88 0.2E3 !(70,-70)! B1O+C2H4Z=R13CH2CHO+R1H 4.7E6 1.88 0.2E3 !(71,-71)! B1O+C2H4Z=R2OH+R10C2H3V 1.5E7 1.91 3.7E3 !(72,-72)! B1O+R11C2H5=HCHO+R4CH3 1.1E13 0. 0. !(73,-73)! B1O+R11C2H5=CH3CHO+R1H 5.5e13 0. 0. !(74,-74)! B1O+R11C2H5=C2H4Z+R2OH 3.0E13 0. 0. !(75,-75)! B1O+C2H6=R11C2H5+R2OH 1.0E9 1.5 5.8E3 !(76,-76)! !REACTIONS DE R2OH! R1H+B1O+M=R2OH+M 1.18E19 -1.0 0.0 !(77,-77)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ R1H+R2OH+M=H2O+M 5.53E+22 -2.0 0.0 !(78,-78)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/2.55/ CH4/3.0/ C2H6/3.0/ AR/0.15/ N2/0.4/ HE/0.35/ R2OH+H2=R1H+H2O 1.0E8 1.6 3.3E3 !(79,-79)! R2OH+B3C=B2CO+R1H 5.0E13 0. 0. !(80,-80)! R2OH+B4CH=R5CHO+R1H 3.0E13 0. 0. !(81,-81)! R2OH+B6CH2=HCHO+R1H 3.0E13 0. 0. !(82,-82)! R2OH+B5CH2=HCHO+R1H 1.8E13 0. 0. !(83,-83)! R2OH+R4CH3=B6CH2+H2O 7.2E13 0. 2.7E3 !(84,-84)! R2OH+R4CH3(+M)=CH3OH(+M) 6.0E13 0. 0. !(85,-85)! LOW /1.4E44 -8.2 0./ TROE /0.82 200. 1438./ R2OH+R4CH3=HCHO+H2 3.2E12 -0.53 10.8E3 !(86,-86)! R2OH+R4CH3=R7CH3O+R1H 5.7E12 -0.23 13.9E3 !(87,-87)! R2OH+CH4=R4CH3+H2O 1.6E7 1.83 2.7E3 !(88,-88)! R2OH+R9C2HT=C2H2T+B1O 1.8E13 0. 0. !(89,-89)! R2OH+R9C2HT=B5CH2+B2CO 1.8E13 0. 0. !(90,-90)! R2OH+R9C2HT=R12CHCOV+R1H 2.0E13 0. 0. !(91,-91)! R2OH+C2H2T=R9C2HT+H2O 1.4E4 2.68 12.0E3 !(92,-92)! R2OH+C2H2T=CH2COZ+R1H 2.2E-4 4.5 -1.0E3 !(93,-93)! R2OH+C2H2T=R4CH3+B2CO 4.8E-4 4. -2.0E3 !(94,-94)! R2OH+R10C2H3V=C2H2T+H2O 3.0E13 0. 0. !(95,-95)! R2OH+R10C2H3V=CH3CHO 3.0E13 0. 0. !(96,-96)! R2OH+C2H4Z=R10C2H3V+H2O 2.0E13 0. 5.9E3 !(97,-97)! R2OH+C2H4Z=R4CH3+HCHO 2.0E12 0. 0.9E3 !(98,-98)! R2OH+R11C2H5=C2H4Z+H2O 2.4E13 0. 0. !(99,-99)! R2OH+R11C2H5=>R4CH3+R1H+HCHO 2.4E13 0. 0. !(100) ! R2OH+C2H6=R11C2H5+H2O 7.2E6 2. 0.9E3 !(101,-101)! R2OH+R2OH=H2O+B1O 1.5E9 1.14 0.1E3 !(102,-102)! !REACTIONS DE H2O! H2O+B4CH=R6CH2OH 5.7E12 0. -0.8E3 !(103,-103)! H2O+B6CH2=CH3OH 1.8E13 0. 0. !(104,-104)! !REACTIONS DE B2CO! B2CO+R4CH3(+M)=R14CH3CO(+M) 5.0E11 0. 6.9E3 !(105,-105)! LOW /1.1E14 0. 3.8E3/ TROE /0.5 1.0 1.0E8/ B2CO+B1O+M=CO2+M 1.54E15 0.0 3.0E3 !(106,-106)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ B2CO+R2OH=CO2+R1H 6.3E6 1.5 -0.5E3 !(107,-107)! !REACTIONS DE R5CHO! R5CHO+M=R1H+B2CO+M 1.9E17 -1. 17.0E3 !(108,-108)! H2/2.0/ B2CO/1.5/ CO2/2.0/ H2O/6.0/ R5CHO+R1H=H2+B2CO 9.0E13 0. 0. !(109,-109)! R5CHO+R1H=B1O+B5CH2 4.0E13 0. 102.5E3 !(110,-110)! R5CHO+B6CH2=R4CH3+B2CO 1.8E13 0. 0. !(111,-111)! R5CHO+B5CH2=R4CH3+B2CO 1.8E13 0. 0. !(112,-112)! R5CHO+R4CH3=CH4+B2CO 1.2E14 0. 0. !(113,-113)! R5CHO+R4CH3=CH3CHO 1.8E13 0. 0. !(114,-114)! R4CH3+HCHO=R5CHO+CH4 7.7E-8 6.1 1.97E3 !(115,-115)! R5CHO+R9C2HT=C2H2T+B2CO 6.0E13 0. 0. !(116,-116)! R5CHO+R10C2H3V=C2H4Z+B2CO 9.0E13 0. 0. !(117,-117)! !The following is commented, it has been accounted in R25C3H5Y ALLYL + HO2 MECHANISM !R10C2H3V+HCHO=R5CHO+C2H4Z 5.4E3 2.81 5.9E3 !(118,-118)! R5CHO+R11C2H5=C2H6+B2CO 1.2E14 0. 0. !(119,-119)! R11C2H5+HCHO=R5CHO+C2H6 5.57E3 2.81 5.86E3 !(120,-120)! R5CHO+B1O=R1H+CO2 3.0E13 0. 0. !(121,-121)! R5CHO+B1O=R2OH+B2CO 3.0E13 0. 0. !(122,-122)! R5CHO+R2OH=H2O+B2CO 1.1E14 0. 0. !(123,-123)! R5CHO+R5CHO=HCHO+B2CO 3.0E13 0. 0. !(124,-124)! !REACTIONS DE HCHO! HCHO+M=R5CHO+R1H+M 1.40E36 -5.54 96.8E3 !(125,-125)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ HCHO+M=H2+B2CO+M 3.26E36 -5.54 96.8E3 !(126,-126)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ HCHO+R1H=R5CHO+H2 1.3E8 1.62 2.1E3 !(127,-127)! HCHO+B4CH=R13CH2CHO 9.6E13 0. -0.5E3 !(128,-128)! HCHO+B6CH2=R4CH3+R5CHO 1.2E12 0. 0. !(129,-129)! HCHO+B1O=R5CHO+R2OH 4.1E11 0.57 2.7E3 !(130,-130)! HCHO+R2OH=R5CHO+H2O 3.4E9 1.18 -0.4E3 !(131,-131)! !REACTIONS DE R7CH3O! R7CH3O+M=HCHO+R1H+M 1.55E14 0.00 13.5E3 !(132,-132)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ R7CH3O+R1H=HCHO+H2 1.8E13 0. 0. !(133,-133)! R7CH3O+B6CH2=R4CH3+HCHO 1.8E13 0. 0. !(134,-134)! R7CH3O+B5CH2=R4CH3+HCHO 1.8E13 0. 0. !(135,-135)! R7CH3O+R4CH3=HCHO+CH4 2.4E13 0. 0. !(136,-136)! R7CH3O+CH4=R4CH3+CH3OH 1.6E11 0. 8.8E3 !(137,-137)! R7CH3O+R9C2HT=HCHO+C2H2T 2.4E13 0. 0. !(138,-138)! R7CH3O+R10C2H3V=HCHO+C2H4Z 2.4E13 0. 0. !(139,-139)! R7CH3O+C2H4Z=HCHO+R11C2H5 1.2E11 0. 6.7E3 !(140,-140)! R7CH3O+R11C2H5=HCHO+C2H6 2.4E13 0. 0. !(141,-141)! R7CH3O+C2H6=R11C2H5+CH3OH 2.4E11 0. 7.0E3 !(142,-142)! R7CH3O+B1O=HCHO+R2OH 1.8E12 0. 0. !(143,-143)! R7CH3O+R2OH=HCHO+H2O 1.8E13 0. 0. !(144,-144)! R7CH3O+B2CO=R4CH3+CO2 1.6E13 0. 11.7E3 !(145,-145)! R7CH3O+R5CHO=CH3OH+B2CO 9.1E13 0. 0. !(146,-146)! R7CH3O+HCHO=CH3OH+R5CHO 1.0E11 0. 3.0E3 !(147,-147)! R7CH3O+R7CH3O=CH3OH+HCHO 6.0E13 0. 0. !(148,-148)! !REACTIONS DE R6CH2OH! R6CH2OH+M=HCHO+R1H+M 1.26E16 0.00 30.0E3 !(149,-149)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ R6CH2OH+R1H=R4CH3+R2OH 9.6E13 0. 0. !(150,-150)! R6CH2OH+R1H=HCHO+H2 6.0E12 0. 0. !(151,-151)! R6CH2OH+H2=CH3OH+R1H 6.7E5 2. 13.4E3 !(152,-152)! R6CH2OH+B6CH2=CH3CHO+R1H 1.8E13 0. 0. !(153,-153)! R6CH2OH+B5CH2=C2H4Z+R2OH 2.4E13 0. 0. !(154,-154)! R6CH2OH+B5CH2=R4CH3+HCHO 1.2E12 0. 0. !(155,-155)! R6CH2OH+R4CH3=C2H5OH 1.2E13 0. 0. !(156,-156)! R6CH2OH+R4CH3=CH4+HCHO 2.4E12 0. 0. !(157,-157)! R6CH2OH+CH4=CH3OH+R4CH3 21.7 3.1 16.2E3 !(158,-158)! R6CH2OH+R9C2HT=C2H2T+HCHO 4.8E13 0. 0. !(159,-159)! !la constante de vitesse du processus 159 est globalisee! !R6CH2OH+R9C2HT=C3H3+R2OH 1.2E13 0. 0. !(159a,-159a)! !R6CH2OH+R9C2HT=C2H2T+HCHO 3.6E13 0. 0. !(159b,-159b)! R6CH2OH+C2H2T=R10C2H3V+HCHO 7.2E11 0. 9.0E3 !(160,-160)! R6CH2OH+R10C2H3V=C2H4Z+HCHO 4.2E13 0. 0. !(161,-161)! !La constante de vitesse du processus 161 est globalisee! R6CH2OH+R11C2H5=C2H4Z+CH3OH 2.4E12 0. 0. !(162,-162)! R6CH2OH+R11C2H5=C2H6+HCHO 2.4E12 0. 0. !(163,-163)! R6CH2OH+C2H6=CH3OH+R11C2H5 199. 3. 14.0E3 !(164,-164)! R6CH2OH+B1O=HCHO+R2OH 4.2E13 0. 0. !(165,-165)! R6CH2OH+R2OH=H2O+HCHO 2.4E13 0. 0. !(166,-166)! R6CH2OH+R5CHO=CH3OH+B2CO 1.2E14 0. 0. !(168,-168)! R6CH2OH+R5CHO=HCHO+HCHO 1.8E14 0. 0. !(169,-169)! R6CH2OH+HCHO=CH3OH+R5CHO 5.5E3 2.8 5.9E3 !(170,-170)! R6CH2OH+R7CH3O=CH3OH+HCHO 2.4E13 0. 0. !(171,-171)! R6CH2OH+R6CH2OH=CH3OH+HCHO 1.4E13 0. 0. !(172,-172)! !la constante de vitesse du processus 172 est globalisee! !R6CH2OH+R6CH2OH=CH3OH+HCHO 4.8E12 0. 0. !(172a,-172a)! !R6CH2OH+R6CH2OH=HOCH2CH2OH 9.6E12 0. 0. !(172b,-172b)! !REACTIONS DE CH3OH! CH3OH+R1H=R4CH3+H2O 2.0E14 0. 5.3E3 !(173,-173)! CH3OH+R1H=R7CH3O+H2 4.2E6 2.1 4.9E3 !(174,-174)! CH3OH+B6CH2=R6CH2OH+R4CH3 1.5E12 0. 0. !(175,-175)! CH3OH+B5CH2=R4CH3+R6CH2OH 31.9 3.2 7.2E3 !(176,-176)! CH3OH+B5CH2=R4CH3+R7CH3O 14.4 3.1 6.9E3 !(177,-177)! CH3OH+R9C2HT=C2H2T+R6CH2OH 6.0E12 0. 0. !(178,-178)! CH3OH+R9C2HT=C2H2T+R7CH3O 1.2E12 0. 0. !(179,-179)! CH3OH+R10C2H3V=C2H4Z+R6CH2OH 31.9 3.2 7.2E3 !(180,-180)! CH3OH+R10C2H3V=C2H4Z+R7CH3O 14.4 3.1 6.9E3 !(181,-181)! CH3OH+B1O=R6CH2OH+R2OH 3.4E13 0. 5.5E3 !(182,-182)! CH3OH+B1O=R7CH3O+R2OH 1.0E13 0. 4.7E3 !(183,-183)! CH3OH+R2OH=R6CH2OH+H2O 3.1E06 2. -3.4E2 !(184a,-184a)85%! CH3OH+R2OH=R7CH3O+H2O 5.4E05 2. -3.4E2 !(184b,-184b)15%! CH3OH+R7CH3O=CH3OH+R6CH2OH 3.0E11 0. 4.1E3 !(185,-185)! !REACTIONS DE R12CHCOVD! R12CHCOV+M=B4CH+B2CO+M 6.0E15 0. 58.8E3 !(186,-186)! R12CHCOV+R1H=B5CH2+B2CO 1.5E14 0. 0. !(187a,-187a)! R12CHCOV+R1H=B6CH2+B2CO 1.3E14 0. 0. !(187b,-187b)! R12CHCOV+B5CH2=R9C2HT+HCHO 1.0E13 0. 2.0E3 !(188,-188)! R12CHCOV+B5CH2=R10C2H3V+B2CO 3.0E13 0. 0. !(189,-189)! R12CHCOV+B1O=>B2CO+B2CO+R1H 9.6E13 0. 0. !(190)! R12CHCOV+R2OH=>R5CHO+B2CO+R1H 1.0E13 0. 0. !(191)! !REACTIONS DE CH2COZD! CH2COZ+M=B6CH2+B2CO+M 6.57E15 0.0 57.6E3 !(192,-192)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ CH2COZ+M=R12CHCOV+R1H+M 2.7E17 0. 87.0E3 !(193,-193)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ CH2COZ+R1H=R4CH3+B2CO 1.8E13 0. 3.4E3 !(194,-194)! CH2COZ+R1H=R12CHCOV+H2 5.0E13 0. 8.0E3 !(195,-195)! CH2COZ+B5CH2=C2H4Z+B2CO 1.3E14 0. 0. !(196,-196)! CH2COZ+B1O=B5CH2+CO2 1.8E12 0. 1.3E3 !(197,-197)! CH2COZ+B1O=R12CHCOV+R2OH 1.0E13 0. 8.0E3 !(198,-198)! CH2COZ+R2OH=R12CHCOV+H2O 7.5E12 0. 2.0E3 !(199,-199)! CH2COZ+R2OH=R4CH3+CO2 2.52E12 0. 0. !(200a,-200a)! CH2COZ+R2OH=R6CH2OH+B2CO 4.68E12 0. 0. !(200b,-200b)! !REACTIONS DE R14CH3CO! R14CH3CO+R1H=R4CH3+R5CHO 9.6E13 0. 0. !(201,-201)! R14CH3CO+B6CH2=R4CH3+CH2COZ 1.8E13 0. 0. !(202,-202)! R14CH3CO+B5CH2=R4CH3+CH2COZ 1.8E13 0. 0. !(203,-203)! R14CH3CO+B1O=R4CH3+CO2 9.6E12 0. 0. !(204,-204)! R14CH3CO+R2OH=CH2COZ+H2O 1.2E13 0. 0. !(205,-205)! R14CH3CO+R2OH=>R4CH3+B2CO+R2OH 3.0E13 0. 0. !(206)! R14CH3CO+R5CHO=CH3CHO+B2CO 9.0E12 0. 0. !(207,-207)! R14CH3CO+HCHO=CH3CHO+R5CHO 1.8E11 0. 12.9E3!(208,-208)! R14CH3CO+R7CH3O=CH3OH+CH2COZ 6.0E12 0. 0. !(209,-209)! R14CH3CO+R7CH3O=HCHO+CH3CHO 6.0E12 0. 0. !(210,-210)! R14CH3CO+CH3OH=CH3CHO+R6CH2OH 4.85E3 3. 12.3E3!(211,-211)! R14CH3CO+R14CH3CO=CH2COZ+CH3CHO 1.2E13 0. 0. !(212,-212)! !REACTIONS DE R13CH2CHO! R13CH2CHO=R14CH3CO 1.0E13 0. 47.0E3!(213,-213)! R13CH2CHO=R1H+CH2COZ 1.6E13 0. 35.0E3!(214,-214)! !REACTIONS DE CH3CHO! CH3CHO+R1H=H2+R14CH3CO 4.0E13 0. 4.2E3 !(215,-215)! CH3CHO+R4CH3=R14CH3CO+CH4 2.0E-6 5.6 2.5E3 !(216,-216)! CH3CHO+R10C2H3V=C2H4Z+R14CH3CO 8.1E10 0. 3.7E3 !(217,-217)! CH3CHO+R11C2H5=C2H6+R14CH3CO 1.3E12 0. 8.5E3 !(218,-218)! CH3CHO+B1O=R14CH3CO+R2OH 1.4E13 0. 2.3E3 !(219,-219)! CH3CHO+R2OH=R14CH3CO+H2O 4.2E12 0. 0.5E3 !(220,-220)! CH3CHO+R7CH3O=R14CH3CO+CH3OH 2.4E11 0. 1.8E3 !(221,-221)! CH3CHO+R13CH2CHO=CH3CHO+R14CH3CO 2.5E7 0. 0. !(222,-222)! !REACTIONS DE C2H4O#! C2H4O#3=CH4+B2CO 1.2E13 0. 57.2E3 !(223,-223)! C2H4O#3=CH3CHO 7.3E13 0. 57.2E3 !(224,-224)! C2H4O#3=R4CH3+R5CHO 3.6E13 0. 57.2E3 !(225,-225)! C2H4O#3+R1H=H2+R13CH2CHO 2.0E13 0. 8.3E3 !(226,-226)! C2H4O#3+R1H=H2O+R10C2H3V 5.0E9 0. 5.0E3 !(227,-227)! C2H4O#3+R1H=C2H4Z+R2OH 9.5E10 0. 5.0E3 !(228,-228)! C2H4O#3+R4CH3=CH4+R13CH2CHO 1.1E12 0. 11.8E3 !(229,-229)! C2H4O#3+R4CH3=R11C2H5+HCHO 1.4E11 0. 7.6E3 !(230,-230)! C2H4O#3+R4CH3=C2H4Z+R7CH3O 1.5E10 0. 7.6E3 !(231,-231)! C2H4O#3+R9C2HT=C2H2T+R13CH2CHO 1.2E12 0. 9.8E3 !(232,-232)! C2H4O#3+R10C2H3V=C2H4Z+R13CH2CHO 2.0E12 0. 9.3E3 !(233,-233)! C2H4O#3+R11C2H5=C2H6+R13CH2CHO 6.8E11 0. 11.4E3 !(234,-234)! C2H4O#3+B1O=R2OH+R13CH2CHO 1.9E12 0. 5.2E3 !(235,-235)! C2H4O#3+R2OH=H2O+R13CH2CHO 1.8E13 0. 3.6E3 !(236,-236)! C2H4O#3+R5CHO=HCHO+R13CH2CHO 3.7E12 0. 15.8E3 !(237,-237)! C2H4O#3+R7CH3O=CH3OH+R13CH2CHO 1.3E12 0. 5.8E3 !(238,-238)! C2H4O#3+R6CH2OH=CH3OH+R13CH2CHO 8.4E11 0. 13.4E3 !(239,-239)! C2H4O#3+R14CH3CO=CH3CHO+R13CH2CHO 4.0E12 0. 17.5E3 !(240,-240)! C2H4O#3+R13CH2CHO=CH3CHO+R13CH2CHO 6.8E11 0. 15.4E3 !(241,-241)! !* assuming that C2H3O decompose rapidly to R13CH2CHO! !REACTIONS DE R15C2H5O! R15C2H5O=HCHO+R4CH3 8.0E13 0. 21.5E3 !(242,-242)! R15C2H5O=CH3CHO+R1H 2.0E14 0. 23.3E3 !(243,-243)! !REACTIONS DE C2H5OH! !Sous-mecanisme repris de Marinov, IJCK 1999 C2H5OH(+M)=R11C2H5+R2OH(+M) 1.2E+23 -1.54 96.0E3 !! C2H5OH+B1O=R2OH+R15C2H5O 1.6E+07 2.0 4.45E+3 !! C2H5OH+R2OH=H2O+R15C2H5O 7.5E+11 0.3 1.6E+3 !! C2H5OH+R3OOH=H2O2+R15C2H5O 2.5E+12 0. 24.0E+3 !! C2H5OH+R4CH3=CH4+R15C2H5O 1.4E+02 2.99 7.65E+3 !! C2H5OH+R1H=H2+R2OH+C2H4Z 1.2E+07 1.8 5.1E+3 !! C2H5OH+B1O=R2OH+R2OH+C2H4Z 9.4E+07 1.7 5.46E+3 !! C2H5OH+R2OH=H2O+R2OH+C2H4Z 1.7E+11 0.27 0.6E+3 !! C2H5OH+R3OOH=H2O2+R2OH+C2H4Z 1.2E+04 2.55 15.7E+3 !! C2H5OH+R4CH3=CH4+R2OH+C2H4Z 2.2E+02 3.18 9.6E+3 !! C2H5OH+R1H=H2+CH3CHO+R1H 2.6E+07 1.65 2.8E+3 !! C2H5OH+B1O=R2OH+CH3CHO+R1H 1.9E+07 1.85 1.82E+3 !! C2H5OH+R2OH=H2O+CH3CHO+R1H 4.6E+11 0.15 0. !! C2H5OH+R3OOH=H2O2+CH3CHO+R1H 8.2E+03 2.55 10.7E+3 !! C2H5OH+R4CH3=CH4+CH3CHO+R1H 7.3E+02 2.99 7.9E+3 !! !REACTIONS DE O2! B1O+B1O+M=O2+M 5.40E13 0. -1.79E3 !(244,-244)! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ N2/0.4/ HE/0.35/ O2+R1H=R2OH+B1O 9.8E13 0. 14.8E3 !(245,-245)! O2+R1H(+M)=R3OOH(+M) 4.52E13 0. 0. !(246,-246)! LOW /1.8E18 -0.8 0.00/ !k0 BAULCH94! TROE /0.5 1.0 1.0E8/ O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/0.0/ CH4/3.0/ C2H6/3.0/ AR/0.29/ HE/0.35/ N2/0.67/ O2+R1H(+H2O)=R3OOH(+H2O) 4.52E13 0. 0. !(246b,-246b)! LOW /6.9E15 0.0 -2080/ TROE /0.45 1.0 1.0E8/ O2+B3C=B2CO+B1O 1.2E14 0. 0. !(247,-247)! O2+B4CH=R5CHO+B1O 3.3E13 0. 0. !(248,-248)! O2+B4CH=B2CO+R2OH 3.2E13 0. 0. !(249,-249)! O2+B6CH2=>B2CO+R2OH+R1H 3.1E12 0. 0. !(250)! O2+B5CH2=R5CHO+R2OH 4.3E10 0. -0.5E3 !(251,-251)! O2+B5CH2=CO2+H2 6.9E11 0. 0.5E3 !(252,-252)! O2+B5CH2=>CO2+R1H+R1H 1.6E12 0. 1.0E3 !(253)! O2+B5CH2=B2CO+H2O 1.9E10 0. -1.0E3 !(254,-254)! O2+B5CH2=>B2CO+R2OH+R1H 8.6E10 0. -0.5E3 !(255)! O2+B5CH2=HCHO+B1O 1.0E14 0. 4.5E3 !(256,-256)! O2+R4CH3(+M)=R8CH3OO(+M) 7.8E8 1.2 0. !(257,-257)! LOW /5.6E25 -3.3 0./ TROE /0.36 1.0 1.0E8/ O2+R4CH3=R7CH3O+B1O 1.3E14 0. 31.3E3 !(258,-258)! O2+R4CH3=HCHO+R2OH 3.0E30 -4.69 36.6E3 !(259,-259)! O2+CH4=R4CH3+R3OOH 4.0E13 0. 56.7E3 !(260,-260)! O2+R9C2HT=B2CO+R5CHO 3.8E13 -0.16 0. !(261,-261)! O2+R9C2HT=R12CHCOV+B1O 9.0E12 -0.16 0. !(262,-262)! O2+C2H2T=R9C2HT+R3OOH 1.2E13 0. 74.5E3 !(263,-263)! O2+C2H2T=R5CHO+R5CHO 7.0E7 1.8 30.6E3 !(264,-264)! O2+R10C2H3V=C2H2T+R3OOH 1.34E6 1.61 -0.4E3 !(265,-265)! O2+R10C2H3V=HCHO+R5CHO 4.5E16 -1.39 1.0E3 !(266a,-266a)! O2+R10C2H3V=B1O+R13CH2CHO 3.3E11 -0.29 10. !(266b,-266b)! O2+C2H4Z=R10C2H3V+R3OOH 4.2E13 0. 57.4E3 !(267,-267)! O2+R11C2H5=R17C2H5OO 2.2E10 0.77 -0.6E3 !(268,-268)! O2+R11C2H5=C2H4Z+R3OOH 8.4E11 0. 3.9E3 !(269,-269)! O2+R11C2H5=R15C2H5O+B1O 1.2E13 -0.2 27.9E3 !(270,-270)! O2+R11C2H5=CH3CHO+R2OH 6.0E10 0. 6.9E3 !(271,-271)! O2+C2H6=R11C2H5+R3OOH 6.0E13 0. 51.7E3 !(272,-272)! O2+R2OH=R3OOH+B1O 2.2E13 0. 52.5E3 !(273,-273)! O2+B2CO=CO2+B1O 2.5E12 0. 47.7E3 !(274,-274)! O2+R5CHO=B2CO+R3OOH 7.6E12 0. 0.41E3 !(275,-275)! O2+HCHO=R5CHO+R3OOH 2.0E13 0. 38.8E3 !(276,-276)! O2+R6CH2OH=HCHO+R3OOH 1.2E12 0. 0. !(278,-278)! O2+CH3OH=R6CH2OH+R3OOH 2.0E13 0. 44.9E3 !(279,-279)! O2+R12CHCOV=>B2CO+B2CO+R2OH 1.5E12 0. 2.5E3 !(280) ! O2+R14CH3CO=R18CH3COOO 2.4E12 0. 0. !(282,-282)! O2+R13CH2CHO=>HCHO+R2OH+B2CO 5.9E9 0. -1.4E3 !(283) ! O2+R13CH2CHO=CH2COZ+R3OOH 1.0E10 0. -1.4E3 !(284,-284)! O2+CH3CHO=R14CH3CO+R3OOH 5.0E13 0. 36.4E3 !(285,-285)! O2+CH3CHO=R13CH2CHO+R3OOH 1.0E13 0.5 46.0E3 !(285',-285)! O2+C2H4O#3=R3OOH+R13CH2CHO 5.0E13 0. 48.0E3 !(286,-286)! O2+R15C2H5O=CH3CHO+R3OOH 6.0E10 0. 1.7E3 !(287,-287)! !REACTIONS DE R3OOH! R3OOH+R1H=H2+O2 4.3E13 0. 1.4E3 !(288,-288)! R3OOH+R1H=2R2OH 1.7E14 0. 0.9E3 !(289,-289)! R3OOH+R1H=H2O+B1O 3.0E13 0. 1.7E3 !(290,-290)! R3OOH+B6CH2=HCHO+R2OH 3.0E13 0. 0. !(291,-291)! R3OOH+B5CH2=HCHO+R2OH 1.8E13 0. 0. !(292,-292)! R3OOH+R4CH3=R7CH3O+R2OH 1.8E13 0. 0. !(293,-293)! !R3OOH+R4CH3=R7CH3O+R2OH 4.0E13 0. 5.0E3 !(293,-293) R3OOH+CH4=R4CH3+H2O2 9.0E12 0. 24.6E3 !(294,-294)! R3OOH+R9C2HT=R12CHCOV+R2OH 1.8E13 0. 0. !(295,-295)! R3OOH+C2H2T=CH2COZ+R2OH 6.0E9 0. 8.0E3 !(296,-296)! !incertitude au moins un facteur 10 R3OOH+R10C2H3V=>R2OH+R4CH3+B2CO 3.0E13 0. 0. !(297) ! R3OOH+C2H4Z=CH3CHO+R2OH 6.0E9 0. 7.9E3 !(298,-298)! R3OOH+C2H4Z=C2H4O#3+R2OH 2.2E12 0. 17.2E3 !(299,-299)! R3OOH+R11C2H5=>R4CH3+HCHO+R2OH 2.4E13 0. 0. !(300) ! R3OOH+R11C2H5=C2H4Z+H2O2 3.0E11 0. 0. !(301,-301)! R3OOH+C2H6=R11C2H5+H2O2 1.3E13 0. 20.4E3 !(302,-302)! R3OOH+R2OH=H2O+O2 2.9E13 0. -0.5E3 !(303,-303)! R3OOH+B2CO=CO2+R2OH 1.5E14 0. 23.6E3 !(304,-304)! R3OOH+R5CHO=>R2OH+R1H+CO2 3.0E13 0. 0. !(305) ! R3OOH+HCHO=R5CHO+H2O2 3.0E12 0. 13.0E3 !(306,-306)! R3OOH+R7CH3O=HCHO+H2O2 3.0E11 0. 0. !(307,-307)! R3OOH+R6CH2OH=HCHO+H2O2 1.2E13 0. 0. !(308,-308)! R3OOH+CH3OH=R6CH2OH+H2O2 9.6E10 0. 12.6E3 !(309,-309)! R3OOH+R14CH3CO=>R4CH3+CO2+R2OH 3.0E13 0. 0. !(310)! R3OOH+CH3CHO=R14CH3CO+H2O2 1.0E12 0. 10.0E3 !(311,-311)! R3OOH+C2H4O#3=H2O2+R13CH2CHO 1.6E12 0. 15.0E3 !(312,-312) R3OOH+R3OOH=H2O2+O2 1.3E11 0. -1.63E3 !(313,-313)! DUPLICATE R3OOH+R3OOH=H2O2+O2 4.2E14 0. 11.98E3 !(313,-313)! DUPLICATE !REACTIONS DE H2O2! !R2OH+R2OH(+ M)=>H2O2 (+ M) 7.23E13 -0.37 0.00 !(314)! ! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ ! N2/0.4/ HE/0.35/ ! LOW /5.53E19 -0.76 0.00 / ! TROE /0.5 1 1.E8/ !H2O2(+M)=>R2OH+R2OH(+M) 3.00E14 0.00 48.5E3 !(-314)! ! O2/0.4/ B2CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ ! N2/0.4/ HE/0.35/ ! LOW /3.0E17 0.0 45.5E3/ ! TROE /0.5 1. 1.E8/ !updated 04/01/2016 Ref:TROE, COMBUST. FLAME, 158:594-601 (2011) with correction by Galway H2O2(+H2O)=R2OH+R2OH(+H2O) 2.00E12 0.90 48749.0 ! Troe (2011) LOW /1.865E+025 -2.30 48749.0/ TROE /5.100E-001 1.000E-030 1.000E+030/ H2O2(+M)=R2OH+R2OH(+M) 2.00E12 0.90 48749.0 ! Troe (2011) LOW /2.490E+024 -2.30 48749.0/ TROE /4.300E-001 1.000E-030 1.000E+030/ H2O/ 0.00/ CO2/ 1.60/ N2/ 1.50/ O2/ 1.20/ HE/ 0.65/ H2O2/ 7.70/ H2O2+R1H=H2+R3OOH 1.7E12 0. 3.7E3 !(315,-315)! H2O2+R1H=H2O+R2OH 1.0E13 0. 3.6E3 !(316,-316)! H2O2+B6CH2=R7CH3O+R2OH 3.0E13 0. 0. !(317,-317)! H2O2+R10C2H3V=C2H4Z+R3OOH 1.2E10 0. -0.6E3 !(318,-318)! H2O2+B1O=R2OH+R3OOH 6.6E11 0. 4.0E3 !(319,-319)! H2O2+R2OH=H2O+R3OOH 7.8E12 0. 1.3E3 !(320,-320)! !REACTIONS DE CO2! CO2+B5CH2=HCHO+B2CO 2.3E10 0. 0. !(321,-321)! !REACTIONS DE R8CH3OO! R8CH3OO=HCHO+R2OH 1.5E13 0. 47.0E3 !(322,-322)! R8CH3OO+R1H=R7CH3O+R2OH 9.6E13 0. 0. !(323,-323)! R8CH3OO+H2=CH3OOH+R1H 3.0E13 0. 26.0E3 !(324,-324)! R8CH3OO+B6CH2=HCHO+R7CH3O 1.8E13 0. 0. !(325,-325)! R8CH3OO+B5CH2=HCHO+R7CH3O 1.8E13 0. 0. !(326,-326)! R8CH3OO+R4CH3=R7CH3O+R7CH3O 5.0E12 0. -1.4E3 !(327,-327)! R8CH3OO+CH4=CH3OOH+R4CH3 1.8E11 0. 18.5E3 !(328,-328)! R8CH3OO+R9C2HT=R7CH3O+R12CHCOV 2.4E13 0. 0. !(329,-329)! R8CH3OO+C2H2T=CH3OOH+R9C2HT 5.6E11 0. 24.5E3 !(330,-330)! R8CH3OO+R10C2H3V=R7CH3O+R13CH2CHO 2.4E13 0. 0. !(331,-331)! !* assuming that C2H3O decompose rapidly to R13CH2CHO! R8CH3OO+C2H4Z=R7CH3O+C2H4O#3 1.1E15 0. 20.0E3 !(332,-332)! R8CH3OO+C2H4Z=CH3OOH+R10C2H3V 3.9E12 0. 24.5E3 !(333,-333)! R8CH3OO+R11C2H5=R7CH3O+R15C2H5O 2.4E13 0. 0. !(334,-334)! R8CH3OO+C2H6=CH3OOH+R11C2H5 2.9E11 0. 14.9E3 !(335,-335)! R8CH3OO+B1O=R7CH3O+O2 3.6E13 0. 0. !(336,-336)! R8CH3OO+R2OH=CH3OH+O2 6.0E13 0. 0. !(337,-337)! R8CH3OO+R2OH=R7CH3O+R3OOH 3.0E12 0. 0. !(338,-338)! R8CH3OO+B2CO=R7CH3O+CO2 1.0E14 0. 24.0E3 !(339,-339)! R8CH3OO+R5CHO=>R7CH3O+R1H+CO2 3.0E13 0. 0. !(340) ! R8CH3OO+HCHO=CH3OOH+R5CHO 1.0E12 0. 12.1E3 !(341,-341)! R8CH3OO+R7CH3O=HCHO+CH3OOH 3.0E11 0. 0. !(342,-342)! R8CH3OO+R6CH2OH=>R7CH3O+R2OH+HCHO 1.2E13 0. 0. !(343)! R8CH3OO+CH3OH=CH3OOH+R6CH2OH 1.8E12 0. 13.7E3 !(344,-344)! R8CH3OO+CH3OH=CH3OOH+R7CH3O 2.8E11 0. 18.8E3 !(345,-345)! R8CH3OO+CH2COZ=CH3OOH+R12CHCOV 1.7E12 0. 27.0E3 !(346,-346)! R8CH3OO+R14CH3CO=R4CH3+CO2+R7CH3O 2.4E13 0. 0. !(347,-347)! R8CH3OO+CH3CHO=CH3OOH+R14CH3CO 1.0E12 0. 12.1E3 !(348,-348)! R8CH3OO+CH3CHO=CH3OOH+R13CH2CHO 1.7E12 0. 19.2E3 !(349,-349)! R8CH3OO+C2H4O#3=CH3OOH+R13CH2CHO 2.2E12 0. 16.0E3 !(350,-350)! R8CH3OO+R3OOH=CH3OOH+O2 2.5E11 0. -1.6E3 !(351,-351)! R8CH3OO+R3OOH=>O2+HCHO+H2O 5.0E10 0. 0. !(352)! R8CH3OO+H2O2=CH3OOH+R3OOH 2.4E12 0. 9.9E3 !(353,-353)! R8CH3OO+R8CH3OO=CH3OH+HCHO+O2 2.5E10 0. -0.8E3 !(354,-354)! R8CH3OO+R8CH3OO=R7CH3O+R7CH3O+O2 2.5E10 0. -0.8E3 !(355,-355)! !REACTIONS DE CH3OOH! CH3OOH=R7CH3O+R2OH 6.0E14 0. 42.3E3 !(356,-356)! CH3OOH+B1O=R8CH3OO+R2OH 2.0E13 0. 4.8E3 !(357,-357)! CH3OOH+R2OH=H2O+R8CH3OO 1.8E12 0. -0.37E3 !(358,-358)! CH3OOH+R7CH3O=>CH3OH+R2OH+HCHO 1.5E11 0. 6.5E3 !(359)! !REACTIONS DE R17C2H5OO! R17C2H5OO=R16C2H4OOH 4.2E12 0. 36.9E3 !(360,-360)! R17C2H5OO+H2=C2H5OOH+R1H 7.9E12 0. 21.0E3 !(361,-361)! R17C2H5OO+R4CH3=R15C2H5O+R7CH3O 2.0E12 0. -1.2E3 !(362,-362)! R17C2H5OO+CH4=C2H5OOH+R4CH3 3.9E12 0. 24.0E3 !(363,-363)! R17C2H5OO+C2H2T=C2H5OOH+R9C2HT 5.6E11 0. 24.4E3 !(364,-364)! R17C2H5OO+C2H4Z=C2H5OOH+R10C2H3V 3.9E12 0. 24.4E3 !(365,-365)! R17C2H5OO+C2H4Z=R15C2H5O+C2H4O#3 2.3E16 0. 21.9E3 !(366,-366)! R17C2H5OO+C2H6=C2H5OOH+R11C2H5 5.1E12 0. 19.5E3 !(367,-367)! R17C2H5OO+H2O=C2H5OOH+R2OH 5.6E12 0. 30.6E3 !(368,-368)! R17C2H5OO+B2CO=CO2+R15C2H5O 1.0E14 0. 24.0E3 !(369,-369)! R17C2H5OO+HCHO=C2H5OOH+R5CHO 4.5E12 0. 14.4E3 !(370,-370)! R17C2H5OO+CH3OH=C2H5OOH+R7CH3O 2.8E11 0. 18.4E3 !(371,-371)! R17C2H5OO+CH3OH=C2H5OOH+R6CH2OH 2.8E12 0. 19.5E3 !(372,-372)! R17C2H5OO+CH2COZ=C2H5OOH+R12CHCOV 1.7E12 0. 24.4E3 !(373,-373)! R17C2H5OO+CH3CHO=C2H5OOH+R14CH3CO 3.9E12 0. 14.4E3 !(374,-374)! R17C2H5OO+CH3CHO=C2H5OOH+R13CH2CHO 1.7E12 0. 19.5E3 !(375,-375)! R17C2H5OO+C2H4O#3=C2H5OOH+R13CH2CHO 2.2E12 0. 16.3E3 !(376,-376)! R17C2H5OO+R3OOH=O2+C2H5OOH 3.9E11 0. -1.3E3 !(377,-377)! !Rate constant measured between 240 and 380K! R17C2H5OO+H2O2=C2H5OOH+R3OOH 4.5E11 0. 10.8E3 !(378,-378)! R17C2H5OO+R8CH3OO=>R15C2H5O+R7CH3O+O2 2.0E11 0. 0. !(379)! R17C2H5OO+CH3OOH=C2H5OOH+R8CH3OO 1.1E12 0. 16.3E3 !(380,-380)! R17C2H5OO+R17C2H5OO=2R15C2H5O+O2 4.1E10 0. 0.2E3 !(381,-381)! R17C2H5OO+R17C2H5OO=C2H5OH+CH3CHO+O2 1.8E10 0. 0.2E3 !(382,-382)! !REACTIONS DE R16C2H4OOH! R16C2H4OOH=C2H4O#3+R2OH 1.5E11 0. 20.0E3 !(383,-383)! R16C2H4OOH=R6CH2OH+HCHO 2.5E13 0. 27.5E3 !(384,-384)! R16C2H4OOH=C2H4Z+R3OOH 2.0E13 0. 23.5E3 !(385,-385)! !REACTIONS DE C2H5OOH C2H5OOH=R15C2H5O+R2OH 4.0E15 0. 42.9E3 !(386,-386)! C2H5OOH+R1H=>CH3CHO+R2OH+H2 3.2E13 0. 7.7E3 !(387)! C2H5OOH+R4CH3=>CH3CHO+R2OH+CH4 5.7E11 0. 8.7E3 !(388)! C2H5OOH+R9C2HT=>CH3CHO+R2OH+C2H2T 6.0E11 0. 9.2E3 !(389)! C2H5OOH+R10C2H3V=>CH3CHO+R2OH+C2H4Z 1.0E12 0. 8.7E3 !(390)! C2H5OOH+R11C2H5=>CH3CHO+R2OH+C2H6 3.4E11 0. 11.4E3 !(391)! C2H5OOH+R2OH=>CH3CHO+R2OH+H2O 5.9E12 0. 0.9E3 !(392)! C2H5OOH+R5CHO=>CH3CHO+R2OH+HCHO 1.8E12 0. 16.7E3 !(393)! C2H5OOH+R7CH3O=>CH3CHO+R2OH+CH3OH 6.3E11 0. 5.5E3 !(394)! C2H5OOH+R6CH2OH=>CH3CHO+R2OH+CH3OH 4.2E11 0. 13.6E3 !(395)! C2H5OOH+R14CH3CO=>2CH3CHO+R2OH 2.0E12 0. 18.5E3 !(396)! C2H5OOH+R13CH2CHO=>2CH3CHO+R2OH 3.4E11 0. 15.7E3 !(397)! C2H5OOH+R3OOH=>CH3CHO+R2OH+H2O2 8.0E11 0. 16.2E3 !(398)! C2H5OOH+R8CH3OO=>CH3CHO+R2OH+CH3OOH 1.1E12 0. 16.7E3 !(399)! C2H5OOH+R17C2H5OO=>CH3CHO+R2OH+C2H5OOH 1.1E12 0. 16.7E3 !(400)! !REACTIONS DE R18CH3COOO! R18CH3COOO+C2H4O#3=CH3COOOH+R13CH2CHO 1.0E12 0. 9.3E3 !(401,-402)! R18CH3COOO+R3OOH=CH3COOOH+O2 5.5E10 0. -2.6E3 !(402,-402)! R18CH3COOO+C2H5OOH=CH3COOOH+R17C2H5OO 5.0E11 0. 9.2E3 !(403,-403)! R18CH3COOO+C2H5OOH=>CH3CHO+R2OH+CH3COOOH 5.0E11 0. 9.2E3 !(404)! R18CH3COOO+R18CH3COOO=>2R4CH3+O2+2CO2 1.7E12 0. -1.0E3 !(405)! !REACTIONS DE CH3COOOH! CH3COOOH=>R4CH3+CO2+R2OH 1.0E16 0. 40.0E3 !(406)! !******************************************************** !REACTIONS PRODUISANT DES C2+ RADICALAIRES C2H4Z+R4CH3=>R19C3H7 2.1E11 0. 7.35E3 !(407)! R11C2H5+C2H4Z=>R20C4H9 1.1E11 0. 7.3E3 !(408)! !REACTIONS PRODUISANT DES C2+ MOLECULAIRES !REACTIONS DE R9C2HT! !R9C2HT+R9C2HT=>C4H2 1.8E13 0. 0. !(24,-24)! !REACTIONS DE C2H2T! !C2H2T+B6CH2=>C3H4 1.7E14 0. 0. !(27,-27)! !C2H2T+B5CH2=>C3H4 3.5E12 0. 0. !(28,-28)! !C2H2T+R4CH3=>C3H4+R1H 6.7E19 -2.08 31.6E3 !(29,-29)! !C2H2T+R9C2HT=>C4H2+R1H 9.0E13 0. 0. !(30,-30)! !C2H2T+C2H2T=>C4H4 5.5E12 0. 37.0E3 !(31,-31)! !REACTIONS DE C2H3! !R10C2H3V+R4CH3=>C3H6Y 2.5E13 0. 0. !(37,-37)! !R10C2H3V+R9C2HT=>C4H4 1.8E13 0. 0. !(38,-38)! !R10C2H3V+C2H2T=>C4H4+R1H 2.0E12 0. 5.0E3 !(40,-40)! !R10C2H3V+R10C2H3V=>C4H6YZ 9.6E12 0. 0. !(41,-41)! !REACTIONS DE C2H4! !C2H4Z+B4CH=>C3H4+R1H 1.3E14 0. -0.3E3 !(46,-46)! !C2H4Z+B6CH2=>C3H6Y 9.6E13 0. 0. !(47,-47)! !C2H4Z+B5CH2=>C3H6Y 3.2E12 0. 5.1E3 !(48,-48)! !C2H4Z+R9C2HT=>C4H4+R1H 1.2E13 0. 0. !(50,-50)! !C2H4Z+R4CH3=>C3H6Y+R1H 6.6E11 0. 15.9E3 !! !C2H4Z+R10C2H3V=>C4H6YZ+R1H 5.0E11 0. 7.3E3 !(51,-51)! !REACTIONS DE C2H5! R11C2H5+R10C2H3V=>C4H8Y 1.5E13 0. 0. !(61,-61)! R11C2H5+R11C2H5=>C4H10 1.1E13 0. 0. !(65,-65)! !REACTIONS DE HCO! R5CHO+R10C2H3V=>C2H3CHOZ 1.8E13 0. 0. !(138,-138)! R5CHO+R11C2H5=>C2H5CHO 1.8E13 0. 0. !(141,-141)! !REACTIONS DE CH3O! !R7CH3O+R4CH3=CH3OCH3 1.2E13 0. 0. !(159,-159)! !R7CH3O+R7CH3O=>CH3OOCH3 1.8E12 0. 0. !(172,-172)! !REACTIONS DE CH2OH! R6CH2OH+R11C2H5=C3H7OH 1.2E13 0. 0. !(189,-189)! !REACTIONS DE CH3CO! R14CH3CO+R4CH3=>C2H6CO 4.0E15 -0.8 0. !(231,-231)! R14CH3CO+R11C2H5=>C3H8CO 3.1E14 -0.5 0. !(232,-232)! !R14CH3CO+R5CHO=>CH3COCHO 1.8E13 0. 0. !(237,-237)! !R14CH3CO+R6CH2OH=>CH3COCH2OH 1.2E13 0. 0. !(241,-241)! !R14CH3CO+R14CH3CO=>CH3COCOCH3 1.2E13 0. 12.3E3 !(243,-243)! !REACTIONS RAJOUTEES POUR TENIR COMPTE DE L ACROLEINE !C3H6Y+B1O=CH3CHCO+2R1H 5.0E7 1.76 -1.22E3 !! !CH3CHCO+R2OH=B2CO+R10C2H3V+H2O 4.0E6 2.0 0.0 !! !CH3CHCO+B1O=B2CO+R10C2H3V+R2OH 7.2E12 0.0 2.0E3 !! !CH3CHCO+R1H=B2CO+R10C2H3V+H2 2.0E5 2.5 2.5E3 !! !CH3CHCO+R1H=R11C2H5+B2CO 2.0E13 0.0 2.0E3 !! !CH3CHCO+B1O=R4CH3+R5CHO+B2CO 3.0E7 2.0 0.0 !! !tC3H5+O2=CH3CHCO+R1H+B1O 1.6E15 -0.78 3.1E3 !! !tC3H5+B1O=CH3CHCO+R1H 1.0E14 0.0 0.0E3 !! !aC4H5+O2=CH3CHCO+R5CHO 4.2E10 0.0 2.5E3 !! C2H3CHOZ+R2OH=B2CO+R10C2H3V+H2O 1.0E13 0.0 0.0 !! C2H3CHOZ+B1O=B2CO+R10C2H3V+R2OH 7.2E12 0.0 2.0E3 !! C2H3CHOZ+B1O=CH2COZ+R5CHO+R1H 5.0E7 1.76 0.08E3 !! C2H3CHOZ+R1H=B2CO+R10C2H3V+H2 4.0E13 0.0 4.2E3 !! C2H3CHOZ+R1H=C2H4Z+R5CHO 2.0E13 0.0 3.5E3 !! C2H3CHOZ+O2=B2CO+R10C2H3V+R3OOH 3.0E13 0.0 36.0E3 !! !.C3H5Y+R3OOH=C2H3CHOZ+R1H+R2OH 7.0E18 -2.0 0.0 !! !.C3H5Y+O2=C2H3CHOZ+R2OH 1.8E13 -0.41 22.9E3 !! !.C3H5Y+B1O=C2H3CHOZ+R1H 1.8E14 0.0 0.0 !! END