0 B18R0.221 C=COCCCCCCCCCCCCCCCC S399736 [0,0,0,0,0,0|2,0,1]=3 1 B18R0.221 CCCCCCCCCCCCCCCCCCN R580139 [0,0,0,0,0,0|1,0,0]=1 2 B18R0.221 CCCCCCCCCCCCCCCCCCN S825921 [0,0,0,0,0,0|1,0,0]=1 3 B18R0.221 CCCCCCCCCCCCCCCCCCN S825948 [0,0,0,0,0,0|1,0,0]=1 4 B18R0.221 CCCCCCCCCCCCCCCCCCN S825999 [0,0,0,0,0,0|1,0,0]=1 5 B18R0.221 CCCCCCCCCCCCCCCCCCN S826979 [0,0,0,0,0,0|1,0,0]=1 6 B18R0.221 CCCCCCCCCCCCCCCCCCN S826995 [0,0,0,0,0,0|1,0,0]=1 7 B18R0.221 CCCCCCCCCCCCCCCCCCN S827029 [0,0,0,0,0,0|1,0,0]=1 8 B18R0.221 CCCCCCCCCCCCCCCCCCN S827037 [0,0,0,0,0,0|1,0,0]=1 9 B18R0.221 CCCCCCCCCCCCCCCCCCN S833215 [0,0,0,0,0,0|1,0,0]=1 10 B18R0.221 CCCCCCCCCCCCCCCCCCN S833223 [0,0,0,0,0,0|1,0,0]=1 11 B18R0.221 CCCCCCCCCCCCCCCCCCN S833258 [0,0,0,0,0,0|1,0,0]=1 12 B18R0.221 CCCCCCCCCCCCCCNCCCN PH003653 [0,0,0,0,0,0|2,0,0]=2 13 B18R0.221 CCCCCCCCCCCCOCCOCCN S383910 [0,0,0,0,0,0|3,0,0]=3 14 B18R0.221 CCCCCCCCCSCCCCCCCCC S570281 [0,0,0,0,0,0|2,0,0]=2 15 B18R0.221 CCCCCCCCS[Hg]SCCCCCCCC S741809 [0,0,0,0,0,0|4,0,0]=4 16 B17R0.117 CCCCCCCCCCCCCCCCNC S595799 [1,0,0,0,0,0|1,0,0]=2 17 B17R0.117 CCCCCCCCCCCCCCCC[Hg]Br S835145 [1,0,0,0,0,0|2,0,0]=3 18 B17R0.117 CCCCCCCCCCCCCCNCCN PH000759 [1,0,0,0,0,0|2,0,0]=3 19 B19R0.36 CCCCCCCCCCCCCCCCCCC#N S439959 [0,1,0,0,0,0|1,0,0]=2 20 B19R0.36 CCCCCCCCCCCCCCCCCCNC R428248 [0,1,0,0,0,0|1,0,0]=2 21 B19R0.36 CCCCCCCCCCCCCCCCCC[Hg]Br S835153 [0,1,0,0,0,0|1,0,0]=2 22 B19R0.36 CCCCCCCCCCCCCCCCCC[Hg]Cl S572624 [0,1,0,0,0,0|1,0,0]=2 23 B19R0.36 CCCCCCCCCCCCCCCCNCCN PH000856 [0,1,0,0,0,0|1,0,0]=2 24 B19R0.36 CCCCCCCCCCCCCCCCSCCO S507377 [0,1,0,0,0,0|0,0,0]=1 25 B19R0.36 CCCCCCCCCCCCCC[NH2+]CCOCC L498572 [0,1,0,0,0,0|2,0,0]=3 26 B19R0.36 NCCCOCCCCCCCCCCOCCCN S516546 [0,1,0,0,0,0|3,0,0]=4 27 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O CDS003411 [0,1,0,0,0,0|0,0,3]=4 28 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [0,1,0,0,0,0|0,0,1]=2 29 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S825972 [0,1,0,0,0,0|0,0,1]=2 30 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S825980 [0,1,0,0,0,0|0,0,1]=2 31 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CDS003888 [0,1,0,0,0,0|0,0,2]=3 32 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] S836826 [0,1,0,0,0,0|0,0,2]=3 33 B19R0.149 CCCCCCCCCCCCCCCCCC(=S)N S553670 [0,1,0,0,0,0|0,1,1]=3 34 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O S454699 [0,1,0,0,0,0|0,0,0]=1 35 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N S810681 [0,1,0,0,0,0|1,0,2]=4 36 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C R579807 [0,1,0,0,0,0|2,0,0]=3 37 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C S505897 [0,1,0,0,0,0|2,0,0]=3 38 B19R0.149 CCCCCCCCCCCCCCCCSC(=O)C S387207 [0,1,0,0,0,0|1,0,2]=4 39 B19R0.23229 CCCCCCCCCCC(=O)CCCCCCCC S828432 [0,1,0,0,0,0|1,0,1]=3 40 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCC PH000407 [0,1,0,0,0,0|2,0,1]=4 41 B19R0.25648 CCCCCCCCCCCCCC(=O)OCCCC CDS007175 [0,1,0,0,0,0|2,0,1]=4 42 B19R0.26208 CCCCCCCCCC(=O)CCCCCCCCC R462454 [0,1,0,0,0,0|1,0,1]=3 43 B19R1.28373 CCCCCCCCC1OC1CCCCCCCC S672637 [0,0,0,1,0,0|2,0,0]=3 44 B19R1.289469 CCCCCCCCCCCCN1CCCCCC1 S236225 [0,0,0,1,0,0|2,0,0]=3 45 B16R0.303 CCCCCCCCCCCCCC#CCO PH007957 [2,0,0,0,0,0|0,0,2]=4 46 B16R0.303 CCCCCCCCCCCCNCCCC PH008445 [2,0,0,0,0,0|1,0,0]=3 47 B16R0.303 CCCCCCCCCCCCNCCCN PH000051 [2,0,0,0,0,0|2,0,0]=4 48 B16R0.303 CCCCCCCCCCCCOCCCN S392081 [2,0,0,0,0,0|2,0,0]=4 49 B16R0.303 CCCCCCCCCCCCSCCCC S840947 [2,0,0,0,0,0|1,0,0]=3 50 B16R0.303 CCCCCCCCCCCCSCCCCl S840939 [2,0,0,0,0,0|2,0,0]=4 51 B16R0.303 CCCCCCCCCCCCSCCCN S403563 [2,0,0,0,0,0|2,0,0]=4 52 B16R0.303 CCCCCCCCCCCCSCCCO S572314 [2,0,0,0,0,0|1,0,0]=3 53 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC S540188 [1,1,0,0,0,0|0,0,1]=3 54 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [1,1,0,0,0,0|0,0,2]=4 55 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S233501 [1,1,0,0,0,0|1,0,1]=4 56 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S605379 [1,1,0,0,0,0|1,0,1]=4 57 B18R0.3155 CCCCCCCCCCCCCC(=O)CCCC S540218 [1,1,0,0,0,0|0,0,1]=3 58 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC R467529 [1,1,0,0,0,0|1,0,1]=4 59 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCO R548340 [1,1,0,0,0,0|1,0,1]=4 60 B18R0.11621 CCCCCCCCCC(=O)CCCCCCCC S540250 [1,1,0,0,0,0|0,0,1]=3 61 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC CDS000284 [0,2,0,0,0,0|1,0,1]=4 62 B20R0.39 CCCCCCCCCCCCCCCCS(=O)CCO S540269 [0,2,0,0,0,0|0,0,0]=2 63 B20R0.2932 CCCCCCCCCCCCCCCCCC[Hg]C#N S839310 [0,2,0,0,0,0|1,0,0]=3 64 B20R0.2932 CCCCCCCCCCCCCCCCNCCCN PH000539 [0,2,0,0,0,0|1,0,0]=3 65 B20R0.2932 CCCCCCCCCCOCCCCCCCCCC S345237 [0,2,0,0,0,0|1,0,0]=3 66 B20R0.2932 [SiH2](CCCC)CCCCCCCCCCCCCCCC S831476 [0,2,0,0,0,0|1,0,0]=3 67 B20R0.2932 [SiH2](CCCCCCCCCC)CCCCCCCCCC S837784 [0,2,0,0,0,0|1,0,0]=3 68 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC S573000 [0,2,0,0,0,0|1,0,0]=3 69 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C PH016122 [0,2,0,0,0,0|1,0,0]=3 70 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C R580090 [0,2,0,0,0,0|1,0,0]=3 71 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC R594830 [0,2,0,0,0,0|1,0,1]=4 72 B20R0.112 CCCCCCCCCCCCCC#CC(O)C(N)CO PH006270 [0,2,0,0,0,0|0,0,2]=4 73 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O S415863 [0,2,0,0,0,0|0,0,1]=3 74 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O S874922 [0,2,0,0,0,0|0,0,2]=4 75 B18R1.1261 CCCCCCCCCCCCN1CCCCC1 S983586 [1,0,0,1,0,0|1,0,0]=3 76 B18R1.1261 CCCCCCCCCCCCN1CCOCC1 R787876 [1,0,0,1,0,0|2,0,0]=4 77 B20R1.8322 [NH+]1(CCCC1)CCOCCCCCCCCCCCC R738077 [0,1,0,1,0,0|2,0,0]=4