0 B19R0.182 CCCCCCCCCCCCNCCC(=O)OCC S553638 [0,0,0,0,0,0|1,0,0]=1 1 B18R0.110 CCCCCCCCCCCCSCC(=O)OCC S578029 [1,0,0,0,0,0|1,0,0]=2 2 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC S540188 [1,0,0,0,0,0|0,0,0]=1 3 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN S628476 [1,0,0,0,0,0|2,0,0]=3 4 B18R0.171 CCCCCCCCCCCCCCNC(=O)CCl S383708 [1,0,0,0,0,0|2,0,0]=3 5 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC PH005282 [1,0,0,0,0,0|1,0,0]=2 6 B18R0.221 C=COCCCCCCCCCCCCCCCC S399736 [1,0,0,0,0,0|0,0,3]=4 7 B18R0.221 CCCCCCCCCCCCCCCCCCN R580139 [1,0,0,0,0,0|2,0,1]=4 8 B18R0.221 CCCCCCCCCCCCCCCCCCN S825921 [1,0,0,0,0,0|2,0,1]=4 9 B18R0.221 CCCCCCCCCCCCCCCCCCN S825948 [1,0,0,0,0,0|2,0,1]=4 10 B18R0.221 CCCCCCCCCCCCCCCCCCN S825999 [1,0,0,0,0,0|2,0,1]=4 11 B18R0.221 CCCCCCCCCCCCCCCCCCN S826979 [1,0,0,0,0,0|2,0,1]=4 12 B18R0.221 CCCCCCCCCCCCCCCCCCN S826995 [1,0,0,0,0,0|2,0,1]=4 13 B18R0.221 CCCCCCCCCCCCCCCCCCN S827029 [1,0,0,0,0,0|2,0,1]=4 14 B18R0.221 CCCCCCCCCCCCCCCCCCN S827037 [1,0,0,0,0,0|2,0,1]=4 15 B18R0.221 CCCCCCCCCCCCCCCCCCN S833215 [1,0,0,0,0,0|2,0,1]=4 16 B18R0.221 CCCCCCCCCCCCCCCCCCN S833223 [1,0,0,0,0,0|2,0,1]=4 17 B18R0.221 CCCCCCCCCCCCCCCCCCN S833258 [1,0,0,0,0,0|2,0,1]=4 18 B18R0.221 CCCCCCCCCSCCCCCCCCC S570281 [1,0,0,0,0,0|2,0,1]=4 19 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC CDS000284 [0,1,0,0,0,0|0,0,0]=1 20 B20R0.39 CCCCCCCCCCCCCCCCS(=O)CCO S540269 [0,1,0,0,0,0|3,0,0]=4 21 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(=O)N S821128 [0,1,0,0,0,0|2,0,1]=4 22 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(=S)N S813451 [0,1,0,0,0,0|2,0,1]=4 23 B17R0.117 CCCCCCCCCCCCCCCCNC S595799 [2,0,0,0,0,0|1,0,1]=4 24 B17R0.195 CCCCCCCCCCCCCNC(=O)CCl S383457 [2,0,0,0,0,0|2,0,0]=4 25 B17R0.250 CCCCCCCCCCCCCC(=O)CCC S543926 [2,0,0,0,0,0|1,0,0]=3 26 B17R0.250 CCCCCCCCCCCCCC(=O)NCC R425567 [2,0,0,0,0,0|1,0,0]=3 27 B17R0.250 CCCCCCCCCCCCNC(=O)CCC R343277 [2,0,0,0,0,0|2,0,0]=4 28 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [2,0,0,0,0,0|0,0,2]=4 29 B17R0.43 CCCCCCCCCCCCCCCC(=O)C S762911 [2,0,0,0,0,0|0,0,0]=2 30 B17R0.43 CCCCCCCCCCCCCCCC(=O)O S833266 [2,0,0,0,0,0|0,0,0]=2 31 B17R0.43 CCCCCCCCCCCCCCNC(=O)N S811866 [2,0,0,0,0,0|2,0,0]=4 32 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S28291 [2,0,0,0,0,0|2,0,0]=4 33 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S43193 [2,0,0,0,0,0|2,0,0]=4 34 B17R0.43 CCCCCCCCCCCCSCCC(=O)O S537306 [2,0,0,0,0,0|1,0,0]=3 35 B17R0.43 CCCCCCCCSCCCCCCC(=O)O R395536 [2,0,0,0,0,0|1,0,0]=3 36 B17R0.43 CCCCSCCCCCCCCCCC(=O)O S537659 [2,0,0,0,0,0|1,0,0]=3 37 B19R0.36 CCCCCCCCCCCCCCCCCCNC R428248 [1,1,0,0,0,0|1,0,1]=4 38 B19R0.36 CCCCCCCCCCCCCCCCNCCN PH000856 [1,1,0,0,0,0|1,0,1]=4 39 B19R0.36 CCCCCCCCCCCCCCCCSCCO S507377 [1,1,0,0,0,0|0,1,1]=4 40 B19R0.36 CCCCCCCCCCCCCC[NH2+]CCOCC L498572 [1,1,0,0,0,0|0,0,1]=3 41 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O S454699 [1,1,0,0,0,0|1,0,1]=4 42 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C R579807 [1,1,0,0,0,0|1,0,1]=4 43 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C S505897 [1,1,0,0,0,0|1,0,1]=4 44 B21R0.2907 CCCCCCCC/C=C/CCCCCCCC(=O)OCC S570710 [0,2,0,0,0,0|0,0,0]=2 45 B21R0.30591 CCOC(=O)C(Cl)CCCCCCCCCCCOC(=O)C S943193 [0,2,0,0,0,0|1,0,1]=4 46 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCSC S375764 [0,2,0,0,0,0|0,0,0]=2 47 B21R0.25346 CCCCCCCCCCCCS(=O)(=O)CCC(=O)OCC R152390 [0,2,0,0,0,0|1,0,0]=3 48 B19R1.37817 CCOC(=O)C1CCCCCCCCCCCC1=O T197505 [1,0,0,1,0,0|1,0,1]=4 49 B21R1.106916 CCCCCCCCCCCCCCC1CC(=O)OC1=O S370673 [0,1,0,1,0,0|0,0,1]=3