0 B18R0.221 CCCCC/C=C/C/C=C/CCCCCCCCBr S761931 [0,0,0,0,0,0|1,0,2]=3 1 B18R0.221 CCCCCCCCCCCCCCCCCCN R580139 [0,0,0,0,0,0|1,0,2]=3 2 B18R0.221 CCCCCCCCCCCCCCCCCCN S825921 [0,0,0,0,0,0|1,0,2]=3 3 B18R0.221 CCCCCCCCCCCCCCCCCCN S825948 [0,0,0,0,0,0|1,0,2]=3 4 B18R0.221 CCCCCCCCCCCCCCCCCCN S825999 [0,0,0,0,0,0|1,0,2]=3 5 B18R0.221 CCCCCCCCCCCCCCCCCCN S826979 [0,0,0,0,0,0|1,0,2]=3 6 B18R0.221 CCCCCCCCCCCCCCCCCCN S826995 [0,0,0,0,0,0|1,0,2]=3 7 B18R0.221 CCCCCCCCCCCCCCCCCCN S827029 [0,0,0,0,0,0|1,0,2]=3 8 B18R0.221 CCCCCCCCCCCCCCCCCCN S827037 [0,0,0,0,0,0|1,0,2]=3 9 B18R0.221 CCCCCCCCCCCCCCCCCCN S833215 [0,0,0,0,0,0|1,0,2]=3 10 B18R0.221 CCCCCCCCCCCCCCCCCCN S833223 [0,0,0,0,0,0|1,0,2]=3 11 B18R0.221 CCCCCCCCCCCCCCCCCCN S833258 [0,0,0,0,0,0|1,0,2]=3 12 B18R0.221 CCCCCCCCCCCCCCNCCCN PH003653 [0,0,0,0,0,0|2,0,2]=4 13 B18R0.221 CCCCCCCCCSCCCCCCCCC S570281 [0,0,0,0,0,0|2,0,1]=3 14 B18R0.221 CCCCCCCCS[Hg]SCCCCCCCC S741809 [0,0,0,0,0,0|4,0,0]=4 15 B17R0.117 CCCCCCCCCCCCCCCCNC S595799 [1,0,0,0,0,0|1,0,2]=4 16 B17R0.117 CCCCCCCCCCCCCCCC[Hg]Br S835145 [1,0,0,0,0,0|2,0,1]=4 17 B17R0.117 CCCCCCCCCCCCCCNCCN PH000759 [1,0,0,0,0,0|2,0,1]=4 18 B19R0.36 CCCCCCCCCCCCCCCCCCC#N S439959 [0,1,0,0,0,0|1,0,2]=4 19 B19R0.36 CCCCCCCCCCCCCCCCCCNC R428248 [0,1,0,0,0,0|1,0,2]=4 20 B19R0.36 CCCCCCCCCCCCCCCCCC[Hg]Br S835153 [0,1,0,0,0,0|1,0,2]=4 21 B19R0.36 CCCCCCCCCCCCCCCCCC[Hg]Cl S572624 [0,1,0,0,0,0|1,0,2]=4 22 B19R0.36 CCCCCCCCCCCCCCCCNCCN PH000856 [0,1,0,0,0,0|1,0,2]=4 23 B19R0.36 CCCCCCCCCCCCCCCCSCCO S507377 [0,1,0,0,0,0|0,0,2]=3 24 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O S573027 [0,1,0,0,0,0|0,0,3]=4 25 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O CDS003411 [0,1,0,0,0,0|0,0,1]=2 26 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [0,1,0,0,0,0|0,0,3]=4 27 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S825972 [0,1,0,0,0,0|0,0,3]=4 28 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S825980 [0,1,0,0,0,0|0,0,3]=4 29 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O S454699 [0,1,0,0,0,0|0,0,2]=3 30 B19R0.23229 CCCCCCCCCCC(=O)CCCCCCCC S828432 [0,1,0,0,0,0|1,0,1]=3 31 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCC PH000407 [0,1,0,0,0,0|2,0,0]=3 32 B19R0.26208 CCCCCCCCCC(=O)CCCCCCCCC R462454 [0,1,0,0,0,0|1,0,1]=3 33 B19R0.26208 CCCCCCCCNC(=S)NCCCCCCCC S361232 [0,1,0,0,0,0|3,0,0]=4 34 B19R1.28373 CCCCCCCCC1OC1CCCCCCCC S672637 [0,0,0,1,0,0|2,0,1]=4 35 B16R0.303 CCCCCCCCCCCCCC#CCO PH007957 [2,0,0,0,0,0|0,0,2]=4 36 B16R0.303 CCCCCCCCCCCCNCCCC PH008445 [2,0,0,0,0,0|1,0,1]=4 37 B16R0.303 CCCCCCCCCCCCNCCCN PH000051 [2,0,0,0,0,0|2,0,0]=4 38 B16R0.303 CCCCCCCCCCCCOCCCN S392081 [2,0,0,0,0,0|2,0,0]=4 39 B16R0.303 CCCCCCCCCCCCSCCCC S840947 [2,0,0,0,0,0|1,0,1]=4 40 B16R0.303 CCCCCCCCCCCCSCCCCl S840939 [2,0,0,0,0,0|2,0,0]=4 41 B16R0.303 CCCCCCCCCCCCSCCCN S403563 [2,0,0,0,0,0|2,0,0]=4 42 B16R0.303 CCCCCCCCCCCCSCCCO S572314 [2,0,0,0,0,0|1,0,0]=3 43 B18R0.11621 CCCCCCCCCC(=O)CCCCCCCC S540250 [1,1,0,0,0,0|0,0,1]=3 44 B20R0.39 CCCCCCCCCCCCCCCCS(=O)CCO S540269 [0,2,0,0,0,0|0,0,2]=4 45 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)NO PH011209 [0,2,0,0,0,0|0,0,1]=3 46 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC R594830 [0,2,0,0,0,0|1,0,1]=4 47 B20R1.66772 CCCCCCCC/C=C/C1CCCCCCC(=O)O1 S722138 [0,1,0,1,0,0|0,0,1]=3