0 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O S573027 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O CDS003411 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [0,0,0,0,0,0|0,0,0]=0 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S825972 [0,0,0,0,0,0|0,0,0]=0 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S825980 [0,0,0,0,0,0|0,0,0]=0 5 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CDS003888 [0,0,0,0,0,0|0,0,1]=1 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] S836826 [0,0,0,0,0,0|0,0,1]=1 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=S)N S553670 [0,0,0,0,0,0|1,1,0]=2 8 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O S454699 [0,0,0,0,0,0|1,0,1]=2 9 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N S810681 [0,0,0,0,0,0|2,0,0]=2 10 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C R579807 [0,0,0,0,0,0|3,0,1]=4 11 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C S505897 [0,0,0,0,0,0|3,0,1]=4 12 B19R0.149 CCCCCCCCCCCCCCCCSC(=O)C S387207 [0,0,0,0,0,0|2,0,0]=2 13 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [1,0,0,0,0,0|0,0,1]=2 14 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S233501 [1,0,0,0,0,0|1,0,0]=2 15 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S605379 [1,0,0,0,0,0|1,0,0]=2 16 B18R0.221 C=COCCCCCCCCCCCCCCCC S399736 [1,0,0,0,0,0|2,0,0]=3 17 B18R0.221 CCCCCCCCCCCCCCCCCCN R580139 [1,0,0,0,0,0|1,0,1]=3 18 B18R0.221 CCCCCCCCCCCCCCCCCCN S825921 [1,0,0,0,0,0|1,0,1]=3 19 B18R0.221 CCCCCCCCCCCCCCCCCCN S825948 [1,0,0,0,0,0|1,0,1]=3 20 B18R0.221 CCCCCCCCCCCCCCCCCCN S825999 [1,0,0,0,0,0|1,0,1]=3 21 B18R0.221 CCCCCCCCCCCCCCCCCCN S826979 [1,0,0,0,0,0|1,0,1]=3 22 B18R0.221 CCCCCCCCCCCCCCCCCCN S826995 [1,0,0,0,0,0|1,0,1]=3 23 B18R0.221 CCCCCCCCCCCCCCCCCCN S827029 [1,0,0,0,0,0|1,0,1]=3 24 B18R0.221 CCCCCCCCCCCCCCCCCCN S827037 [1,0,0,0,0,0|1,0,1]=3 25 B18R0.221 CCCCCCCCCCCCCCCCCCN S833215 [1,0,0,0,0,0|1,0,1]=3 26 B18R0.221 CCCCCCCCCCCCCCCCCCN S833223 [1,0,0,0,0,0|1,0,1]=3 27 B18R0.221 CCCCCCCCCCCCCCCCCCN S833258 [1,0,0,0,0,0|1,0,1]=3 28 B18R0.221 CCCCCCCCCCCCCCNCCCN PH003653 [1,0,0,0,0,0|2,0,1]=4 29 B18R0.221 CCCCCCCCCSCCCCCCCCC S570281 [1,0,0,0,0,0|2,0,1]=4 30 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(=O)N S821128 [0,1,0,0,0,0|2,0,1]=4 31 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)NO PH011209 [0,1,0,0,0,0|0,0,2]=3 32 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC S573000 [0,1,0,0,0,0|1,0,0]=2 33 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O S415863 [0,1,0,0,0,0|0,0,0]=1 34 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C PH016122 [0,1,0,0,0,0|3,0,0]=4 35 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C R580090 [0,1,0,0,0,0|3,0,0]=4 36 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] CDS000697 [0,1,0,0,0,0|2,0,1]=4 37 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O S874922 [0,1,0,0,0,0|0,0,1]=2 38 B20R1.66772 CCCCCCCC/C=C/C1CCCCCCC(=O)O1 S722138 [0,0,0,1,0,0|0,0,2]=3 39 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [2,0,0,0,0,0|0,0,2]=4 40 B17R0.43 CCCCCCCCCCCCCCCC(=O)C S762911 [2,0,0,0,0,0|1,0,0]=3 41 B17R0.43 CCCCCCCCCCCCCCCC(=O)O S833266 [2,0,0,0,0,0|0,0,0]=2 42 B17R0.43 CCCCCCCCCCCCCCNC(=O)N S811866 [2,0,0,0,0,0|2,0,0]=4 43 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S28291 [2,0,0,0,0,0|2,0,0]=4 44 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S43193 [2,0,0,0,0,0|2,0,0]=4 45 B17R0.43 CCCCCCCCCCCCSCCC(=O)O S537306 [2,0,0,0,0,0|1,0,0]=3 46 B17R0.43 CCCCCCCCSCCCCCCC(=O)O R395536 [2,0,0,0,0,0|1,0,0]=3 47 B17R0.43 CCCCSCCCCCCCCCCC(=O)O S537659 [2,0,0,0,0,0|1,0,0]=3 48 B17R0.117 CCCCCCCCCCCCCCCCNC S595799 [2,0,0,0,0,0|1,0,1]=4 49 B17R0.117 CCCCCCCCCCCCCCCC[Hg]Br S835145 [2,0,0,0,0,0|2,0,0]=4 50 B17R0.117 CCCCCCCCCCCCCCNCCN PH000759 [2,0,0,0,0,0|2,0,0]=4 51 B19R0.35 CCCCCCCCCCCCCCC(C)NC(=O)C S27155 [1,1,0,0,0,0|2,0,0]=4 52 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O CDS007442 [1,1,0,0,0,0|1,0,1]=4 53 B19R0.157 CCCCCCCCCCCCOC(=O)CCC(=O)O S568503 [1,1,0,0,0,0|1,0,1]=4 54 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(C)C S254150 [1,1,0,0,0,0|2,0,0]=4 55 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] S605018 [1,1,0,0,0,0|1,0,1]=4 56 B19R0.36 CCCCCCCCCCCCCCCCCCC#N S439959 [1,1,0,0,0,0|1,0,1]=4 57 B19R0.36 CCCCCCCCCCCCCCCCCCNC R428248 [1,1,0,0,0,0|1,0,1]=4 58 B19R0.36 CCCCCCCCCCCCCCCCCC[Hg]Br S835153 [1,1,0,0,0,0|1,0,1]=4 59 B19R0.36 CCCCCCCCCCCCCCCCCC[Hg]Cl S572624 [1,1,0,0,0,0|1,0,1]=4 60 B19R0.36 CCCCCCCCCCCCCCCCNCCN PH000856 [1,1,0,0,0,0|1,0,1]=4 61 B19R0.36 CCCCCCCCCCCCCCCCSCCO S507377 [1,1,0,0,0,0|0,0,1]=3 62 B21R0.21192 CCCCCCC(O)C/C=C/CCCCCCCC(=O)NO PH003655 [0,2,0,0,0,0|0,0,2]=4 63 B21R0.2907 CCCCCCCC/C=C/CCCCCCCC(=O)OCC S570710 [0,2,0,0,0,0|0,0,2]=4 64 B21R0.36769 CCCCCCCCCCCCCCCCOC(=O)C(C)O CDS003289 [0,2,0,0,0,0|1,0,0]=3 65 B21R0.25377 NCCCCCCCCCCCC(=O)CCCCCC(=O)O S871974 [0,2,0,0,0,0|0,0,1]=3 66 B21R0.81 CCCCCCCC/C=C\CCCCCCCCOC(=O)N S354171 [0,2,0,0,0,0|1,0,1]=4 67 B21R0.81 CCCCCCCCSCCCCCCCCCCC(=O)[O-] S233463 [0,2,0,0,0,0|0,0,1]=3 68 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O S812463 [0,1,0,1,0,0|0,0,0]=2 69 B21R1.75647 CCCCCCCCCCCCN1CCCC(C1)C(=O)N S422266 [0,1,0,1,0,0|2,0,0]=4