0 B19R0.182 CCCCCCCCCCCCCCCC(=O)OC=C Amb17672566 [0,0,0,0,0,0|0,0,2]=2 1 B19R0.182 CCCCCC\C=C\CCCCCCCC(=O)OCC Amb22352470 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.182 CCOC(=O)\C=C\CCCCCCCCCCCCC Amb22055378 [0,0,0,0,0,0|0,0,2]=2 3 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC Amb22360676 [1,0,0,0,0,0|0,0,0]=1 4 B18R0.110 CCCCCCCCCCCCCOC(=O)CCS Amb22731884 [1,0,0,0,0,0|3,0,0]=4 5 B18R0.171 CCCCCCCCCCCCCCNC(=O)CCl Amb22345972 [1,0,0,0,0,0|2,0,0]=3 6 B18R0.171 CCCCCCCCCCCCCCOC(=O)C=C Amb24325453 [1,0,0,0,0,0|1,0,2]=4 7 B18R0.171 CCCCCCCCC\C=C/CCCCC(=O)OC Amb21928728 [1,0,0,0,0,0|0,0,2]=3 8 B18R0.171 CCCCCCCC\C=C/CCCCCC(=O)OC Amb21928815 [1,0,0,0,0,0|0,0,2]=3 9 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC Amb22263078 [1,0,0,0,0,0|0,0,2]=3 10 B18R0.171 CCCCCC\C=C\CCCCCCCC(=O)OC Amb22352262 [1,0,0,0,0,0|0,0,2]=3 11 B18R0.171 CCCC\C=C\CCCCCCCCCC(=O)OC Amb22264661 [1,0,0,0,0,0|0,0,2]=3 12 B18R0.171 COC(=O)CCCCCCCCCCCCCCO Amb21928838 [1,0,0,0,0,0|1,0,0]=2 13 B18R0.171 OCCCCCCCCCCCCCCC(=O)NN Amb1778664 [1,0,0,0,0,0|3,0,0]=4 14 B18R0.221 CCCCCCCCCCCCCCCCCCC Amb1785843 [1,0,0,0,0,0|1,0,1]=3 15 B18R0.221 CCCCCCCCCCCCCCCCCCN Amb22730201 [1,0,0,0,0,0|2,0,1]=4 16 B18R0.221 CCCCCCCCCCCCCCCCCCO Amb22735007 [1,0,0,0,0,0|2,0,1]=4 17 B18R0.221 CCCCCCCCCCCCCCCCCC[SiH3] Amb19893969 [1,0,0,0,0,0|1,1,1]=4 18 B18R0.221 CCCCCCCCCCCCCCCCNCC Amb20076173 [1,0,0,0,0,0|1,0,1]=3 19 B18R0.221 CCCCCCCCCCCCCCC\C=C\C=O Amb17618788 [1,0,0,0,0,0|2,0,1]=4 20 B18R0.221 CCCCCCCCCCCCCCC\C=C\CO Amb24053094 [1,0,0,0,0,0|2,0,0]=3 21 B18R0.221 CCCCCCCCCNCCCCCCCCC Amb15740839 [1,0,0,0,0,0|2,0,1]=4 22 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OC=C Amb22366886 [0,1,0,0,0,0|0,0,2]=3 23 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC Amb21618906 [0,1,0,0,0,0|0,0,0]=1 24 B20R0.112 CCCCCCCCCCCCCCCC(=O)C(N)CO Amb21928768 [0,1,0,0,0,0|2,0,0]=3 25 B20R0.146 CCOC(=O)CCCCCCCCCCCC(=O)OCC Amb22359891 [0,1,0,0,0,0|1,0,1]=3 26 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(C)C Amb17619085 [0,1,0,0,0,0|1,0,0]=2 27 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(N)=O Amb22366210 [0,1,0,0,0,0|2,0,1]=4 28 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C Amb22045162 [0,1,0,0,0,0|0,0,0]=1 29 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCC=C Amb17933935 [0,1,0,0,0,0|0,0,1]=2 30 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCC Amb22730653 [0,1,0,0,0,0|0,0,0]=1 31 B20R0.32384 CCCCCCCCCCCCOC(=S)NC(=O)OCC Amb10559366 [0,1,0,0,0,0|2,0,1]=4 32 B17R0.117 CCCCCCCCCCCCCCCCCC Amb22338200 [2,0,0,0,0,0|0,0,1]=3 33 B17R0.117 CCCCCCCCCCCCCCCCCN Amb17674227 [2,0,0,0,0,0|1,0,1]=4 34 B17R0.117 CCCCCCCCCCCCCCCCC[14CH3] Amb22731702 [2,0,0,0,0,0|0,0,1]=3 35 B17R0.117 CCCCCCCCCCCCCCCCNC Amb22369363 [2,0,0,0,0,0|1,0,1]=4 36 B17R0.117 CCCCCCCCCCCCOCCNCC Amb23967633 [2,0,0,0,0,0|2,0,0]=4 37 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr Amb22047393 [2,0,0,0,0,0|1,0,0]=3 38 B17R0.195 CCCCCCCCCCCCCNC(=O)CCl Amb22345971 [2,0,0,0,0,0|2,0,0]=4 39 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb20622600 [2,0,0,0,0,0|1,0,0]=3 40 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb22157193 [2,0,0,0,0,0|1,0,0]=3 41 B17R0.195 CCCC\C=C/CCCCCCCCC(=O)OC Amb21928878 [2,0,0,0,0,0|0,0,2]=4 42 B17R0.195 CCCC\C=C\CCCCCCCCC(=O)OC Amb21928879 [2,0,0,0,0,0|0,0,2]=4 43 B17R0.250 CCCCCCCCCCCCCC(=O)COC Amb23967688 [2,0,0,0,0,0|2,0,0]=4 44 B17R0.250 CCCCCCCCCCCCCC(=O)NCC Amb22357779 [2,0,0,0,0,0|1,0,0]=3 45 B17R0.250 CCCCCCCCCCCCCC(=O)OC=C Amb17672565 [2,0,0,0,0,0|0,0,2]=4 46 B17R0.250 CCCCCCCCCCCCNC(=O)CCC Amb10568869 [2,0,0,0,0,0|2,0,0]=4 47 B17R0.250 CCCCCCCCCCNCCC(=O)OCC Amb23967912 [2,0,0,0,0,0|1,0,0]=3 48 B17R0.43 BrCCCCCCCCCCCCCCC(=O)O Amb16231526 [2,0,0,0,0,0|1,0,0]=3 49 B17R0.43 C#CCCCCCCCCCCCCCC(O)=O Amb22642012 [2,0,0,0,0,0|0,0,2]=4 50 B17R0.43 CCCCCCCCCCCCCCCC(=O)S Amb22056243 [2,0,0,0,0,0|0,1,0]=3 51 B17R0.43 CCCCCCCCCCCCCCCC(=S)O Amb15691801 [2,0,0,0,0,0|0,1,0]=3 52 B17R0.43 CCCCCCCCCCCCCCCC(C)C Amb22730066 [2,0,0,0,0,0|1,0,1]=4 53 B17R0.43 CCCCCCCCCCCCCCCC(O)=O Amb22348427 [2,0,0,0,0,0|0,0,0]=2 54 B17R0.43 CCCCCCCCCCCCCCCC(O)=O Amb22349954 [2,0,0,0,0,0|0,0,0]=2 55 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22350518 [2,0,0,0,0,0|0,0,1]=3 56 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22361255 [2,0,0,0,0,0|0,0,1]=3 57 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22730103 [2,0,0,0,0,0|0,0,1]=3 58 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22732179 [2,0,0,0,0,0|0,0,1]=3 59 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22732274 [2,0,0,0,0,0|0,0,1]=3 60 B17R0.43 CCCCCCCCCCCCCCC[13C](O)=O Amb21928730 [2,0,0,0,0,0|0,0,0]=2 61 B17R0.43 CCCCCCCCCCCCCCC[13C]([O-])=O Amb22338989 [2,0,0,0,0,0|0,0,1]=3 62 B17R0.43 CCCCCCCCCCCCCCC[14C](O)=O Amb22352207 [2,0,0,0,0,0|0,0,0]=2 63 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl Amb22002450 [2,0,0,0,0,0|2,0,0]=4 64 B17R0.43 CCCCCCCCCCCCCC[13CH2]C(O)=O Amb22337967 [2,0,0,0,0,0|0,0,0]=2 65 B17R0.43 CCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22363190 [2,0,0,0,0,0|0,0,0]=2 66 B17R0.43 CCCCCCCCCCCCC\C=C\C(O)=O Amb22732588 [2,0,0,0,0,0|0,0,2]=4 67 B17R0.43 CCCCCCCCCCCCSCCC(=O)N Amb1150923 [2,0,0,0,0,0|2,0,0]=4 68 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [2,0,0,0,0,0|1,0,0]=3 69 B17R0.43 CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22369000 [2,0,0,0,0,0|0,0,0]=2 70 B17R0.43 CCCCCCCCC\C=C/CCCCC(O)=O Amb21928725 [2,0,0,0,0,0|0,0,2]=4 71 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [2,0,0,0,0,0|1,0,0]=3 72 B17R0.43 CCCCCCCC\C=C/CCCCCC(O)=O Amb21928726 [2,0,0,0,0,0|0,0,2]=4 73 B17R0.43 CCCCCC\C=C\CCCCCCCC(O)=O Amb22729016 [2,0,0,0,0,0|0,0,2]=4 74 B17R0.43 CCCC\C=C/CCCCCCCCCC(O)=O Amb21928729 [2,0,0,0,0,0|0,0,2]=4 75 B17R0.43 OC(=O)CCCCCCCCCCCCCCS Amb22336885 [2,0,0,0,0,0|1,0,0]=3 76 B17R0.43 [13CH3]CCCCCCCCCCCCCCC(O)=O Amb22367411 [2,0,0,0,0,0|0,0,0]=2 77 B17R0.43 [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C(O)=O Amb22367412 [2,0,0,0,0,0|0,0,0]=2 78 B17R0.43 [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C([O-])=O Amb22362703 [2,0,0,0,0,0|0,0,1]=3 79 B17R0.43 [13CH3][13CH2]CCCCCCCCCCCCCC(O)=O Amb22367398 [2,0,0,0,0,0|0,0,0]=2 80 B17R0.43 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353663 [2,0,0,0,0,0|0,0,0]=2 81 B19R0.25 CCOC(=O)CCCCCCCCCCC(=O)OCC Amb17614054 [1,1,0,0,0,0|1,0,1]=4 82 B19R0.148 BrCCCCCCCCCCCCCCCC(=O)OC Amb10071547 [1,1,0,0,0,0|0,0,0]=2 83 B19R0.148 CCCCCCCCCCCCCCCCC(=O)C=C Amb10562279 [1,1,0,0,0,0|0,0,2]=4 84 B19R0.148 CCCCCCCCCC\C=C/CCCCC(=O)OC Amb22731087 [1,1,0,0,0,0|0,0,1]=3 85 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC Amb22352444 [1,1,0,0,0,0|0,0,1]=3 86 B19R0.153 CC(=C)C(=O)OCCCCCCCCCCCCCC Amb22730906 [1,1,0,0,0,0|1,0,1]=4 87 B19R0.3096 CCCCCCCCCCCCCC(O)CC(=O)OC Amb21928830 [1,1,0,0,0,0|0,0,0]=2 88 B19R0.14260 CCCCCCC(C)CCCCCCCCC(=O)OC Amb21928855 [1,1,0,0,0,0|0,0,0]=2 89 B19R0.21221 CCC(C)CCCCCCCCCCCCC(=O)OC Amb21928856 [1,1,0,0,0,0|0,0,0]=2 90 B19R0.21221 COC(=O)CCCCCCCCCCCCC(=O)OC Amb21928654 [1,1,0,0,0,0|1,0,1]=4 91 B19R0.21384 COC(=O)CCCCCCCCCCCCCC(C)C Amb21928857 [1,1,0,0,0,0|0,0,0]=2 92 B19R0.25811 CCCCCCCCCCCCCCCC(OC)OC Amb17940230 [1,1,0,0,0,0|0,0,2]=4 93 B19R0.36 CCCCCCCCCCCCCCCCCCCBr Amb22359552 [1,1,0,0,0,0|1,0,1]=4 94 B19R0.36 CCCCCCCCCCCCCCCCCCCN Amb22729932 [1,1,0,0,0,0|1,0,1]=4 95 B19R0.36 CCCCCCCCCCCCCCCCCCNC Amb16224854 [1,1,0,0,0,0|1,0,1]=4 96 B19R0.36 CCCCCCCCCCCCCCCCNCCC Amb20076260 [1,1,0,0,0,0|1,0,1]=4 97 B19R0.36 CCCCCCCCCCCCCCCCOCCO Amb22264987 [1,1,0,0,0,0|0,0,1]=3 98 B19R0.149 CCCCCCCCCCCCCCCCCC(C)C Amb22730064 [1,1,0,0,0,0|1,0,1]=4 99 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N Amb21953726 [1,1,0,0,0,0|1,0,1]=4 100 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O Amb22369070 [1,1,0,0,0,0|1,0,1]=4 101 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C Amb16224853 [1,1,0,0,0,0|1,0,1]=4 102 B19R0.23229 CCCCCCCCCCC(CCCCCCCC)O Amb10564568 [1,1,0,0,0,0|1,0,1]=4 103 B19R0.26208 CCCCCCCCCC(CCCCCCCCC)O Amb10555978 [1,1,0,0,0,0|1,0,1]=4 104 B21R0.2907 CCCCCCCC/C=C/CCCCCCCC(=O)OC=C Amb17672569 [0,2,0,0,0,0|0,0,2]=4 105 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCO Amb22002301 [0,2,0,0,0,0|2,0,0]=4 106 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OC=C Amb17672567 [0,2,0,0,0,0|0,0,2]=4 107 B21R0.2907 CCCCCCCCCCC\C=C\CCCCC(=O)OCC Amb22350169 [0,2,0,0,0,0|0,0,0]=2 108 B21R0.2907 CCCCCC\C=C\C=C/CCCCCCCC(=O)OCC Amb21928588 [0,2,0,0,0,0|0,0,2]=4 109 B21R0.2907 CNCC(=O)NCCCCCCCCCCCCCCCC Amb20141781 [0,2,0,0,0,0|2,0,0]=4 110 B21R0.30591 CC(=O)OCCCCCCCCCCCC(Cl)C(=O)OCC Amb22367978 [0,2,0,0,0,0|1,0,1]=4 111 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CO Amb22747787 [0,2,0,0,0,0|1,0,0]=3 112 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCCC Amb22040073 [0,2,0,0,0,0|0,0,0]=2 113 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCSC Amb21618714 [0,2,0,0,0,0|0,0,0]=2 114 B21R0.36773 CCCCCCCCCCCCCCCC(=O)OCC(C)C Amb22733423 [0,2,0,0,0,0|0,0,0]=2 115 B21R0.36773 CCCCCCCCCCCCCCCC(=O)OCC(O)=O Amb17939795 [0,2,0,0,0,0|0,0,1]=3 116 B21R0.25346 CCCCCCCCCCCCS(=O)(=O)CCC(=O)OCC Amb1150934 [0,2,0,0,0,0|1,0,0]=3 117 B19R1.274 CCCCCCCCCCCCC[C@@H]1CCC(=O)O1 Amb24309496 [1,0,0,1,0,0|1,0,0]=3 118 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O Amb22731416 [1,0,0,1,0,0|0,0,0]=2 119 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 Amb22732441 [1,0,0,1,0,0|1,0,1]=4 120 B21R1.106916 CCCCCCCCCCCCCCC1CC(=O)OC1=O Amb1953670 [0,1,0,1,0,0|0,0,1]=3