0 B21R0.2907 CCCCCCCC/C=C/CCCCCCCC(=O)OC=C Amb17672569 [0,0,0,0,0,0|0,0,2]=2 1 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCO Amb22002301 [0,0,0,0,0,0|2,0,2]=4 2 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OC=C Amb17672567 [0,0,0,0,0,0|0,0,4]=4 3 B21R0.2907 CCCCCCCCCCC\C=C\CCCCC(=O)OCC Amb22350169 [0,0,0,0,0,0|0,0,4]=4 4 B21R0.2907 CCCCCC\C=C\C=C/CCCCCCCC(=O)OCC Amb21928588 [0,0,0,0,0,0|0,0,2]=2 5 B21R0.2907 CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OCC Amb22362863 [0,0,0,0,0,0|0,0,4]=4 6 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OC=C Amb22366886 [1,0,0,0,0,0|0,0,3]=4 7 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC Amb21618906 [1,0,0,0,0,0|0,0,1]=2 8 B20R0.2932 CCCCCCCCCCC\C=C/CCCCCCCC Amb22347888 [1,0,0,0,0,0|1,0,1]=3 9 B20R0.2932 CCCCCCCC\C=C/CCCCCCCCCCO Amb22732536 [1,0,0,0,0,0|2,0,1]=4 10 B20R0.3034 BrCCCCCCCCCCCCCCCCC(=O)OC Amb10071546 [1,0,0,0,0,0|1,0,2]=4 11 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC Amb21618725 [1,0,0,0,0,0|0,0,2]=3 12 B20R0.3034 CCCCCCCCCCCCCCCCC[13C](=O)OC Amb17617764 [1,0,0,0,0,0|0,0,2]=3 13 B20R0.3034 CCCCCCCCCSCCCCCCCC(=O)OC Amb22352249 [1,0,0,0,0,0|1,0,1]=3 14 B20R0.3034 CCCCCCCC\C=C/CCCCCCC[13C](=O)OC Amb17618859 [1,0,0,0,0,0|0,0,0]=1 15 B20R0.3034 CCCCCCCC\C=C/CC\C=C/CCCC(=O)OC Amb21928943 [1,0,0,0,0,0|0,0,2]=3 16 B20R0.3034 CCCCCCCC\C=C/C\C=C/CCCCC(=O)OC Amb21928940 [1,0,0,0,0,0|0,0,2]=3 17 B20R0.3034 CCCCCCC\C=C\C=C\CCCCCCC(=O)OC Amb21928941 [1,0,0,0,0,0|0,0,2]=3 18 B20R0.3034 CCCCCC\C=C\C=C/CCCCCCCC(=O)OC Amb21928875 [1,0,0,0,0,0|0,0,2]=3 19 B20R0.3034 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC Amb10807622 [1,0,0,0,0,0|0,0,2]=3 20 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO Amb21928828 [1,0,0,0,0,0|1,0,2]=4 21 B22R0.54 CCNC(=O)CNCCCCCCCCCCCCCCCC Amb19967289 [0,1,0,0,0,0|1,0,2]=4 22 B22R0.37842 CCCCCCCCCCCCCCCCCC(=O)OC(C)C Amb22359885 [0,1,0,0,0,0|0,0,2]=3 23 B22R0.37842 CCCCCCCCCCCCCCCCCC(=O)O[Al](C)C Amb22734330 [0,1,0,0,0,0|1,0,2]=4 24 B22R0.37842 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(C)C Amb22730690 [0,1,0,0,0,0|0,0,2]=3 25 B22R0.38211 CCCCCCC(O)CCCCCCCCCCC(=O)OCC Amb22349987 [0,1,0,0,0,0|0,0,2]=3 26 B22R0.38211 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC Amb22801008 [0,1,0,0,0,0|0,0,0]=1 27 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCC#C Amb22359184 [0,1,0,0,0,0|0,0,3]=4 28 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCC=C Amb17933939 [0,1,0,0,0,0|0,0,3]=4 29 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCC Amb22387526 [0,1,0,0,0,0|0,0,2]=3 30 B22R0.38515 CCCCCCCC\C=C/CCCCCCCC(=O)NCCO Amb13883677 [0,1,0,0,0,0|1,0,0]=2 31 B22R0.38515 CCCCCCCC\C=C\CCCCCCCC(=O)OCCC Amb22733443 [0,1,0,0,0,0|0,0,0]=1 32 B22R1.5535 CCCCCCCCCCCCCCCC1CC(=O)CCC1 Amb22369378 [0,0,0,1,0,0|1,0,2]=4 33 B19R0.148 BrCCCCCCCCCCCCCCCC(=O)OC Amb10071547 [2,0,0,0,0,0|1,0,1]=4 34 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC Amb22352444 [2,0,0,0,0,0|0,0,2]=4 35 B19R0.182 CCCCCCCCCCCCCCCC(=O)OC=C Amb17672566 [2,0,0,0,0,0|0,0,2]=4 36 B19R0.182 CCCCCC\C=C\CCCCCCCC(=O)OCC Amb22352470 [2,0,0,0,0,0|0,0,0]=2 37 B19R0.182 CCOC(=O)\C=C\CCCCCCCCCCCCC Amb22055378 [2,0,0,0,0,0|0,0,2]=4 38 B19R0.149 CCCCCC#CC\C=C/CCCCCCCC(O)=O Amb21928954 [2,0,0,0,0,0|0,0,2]=4 39 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22336663 [2,0,0,0,0,0|0,0,2]=4 40 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22352822 [2,0,0,0,0,0|0,0,2]=4 41 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22353520 [2,0,0,0,0,0|0,0,2]=4 42 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360658 [2,0,0,0,0,0|0,0,2]=4 43 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360670 [2,0,0,0,0,0|0,0,2]=4 44 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22731026 [2,0,0,0,0,0|0,0,2]=4 45 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22735002 [2,0,0,0,0,0|0,0,2]=4 46 B19R0.149 CCCCCCCCCCCCCCCCC[13C](=O)O Amb17620144 [2,0,0,0,0,0|0,0,2]=4 47 B19R0.149 CCCCCCCCCCCCCCCCC[14C](O)=O Amb22352519 [2,0,0,0,0,0|0,0,2]=4 48 B19R0.149 CCCCCCCCCCCCCCCC[13CH2]C(O)=O Amb22367350 [2,0,0,0,0,0|0,0,2]=4 49 B19R0.149 CCCCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22367511 [2,0,0,0,0,0|0,0,2]=4 50 B19R0.149 CCCCCCCCC\C=C/CCCCCCC(O)=O Amb21928953 [2,0,0,0,0,0|0,0,2]=4 51 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)N Amb17618835 [2,0,0,0,0,0|1,0,0]=3 52 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22337682 [2,0,0,0,0,0|0,0,0]=2 53 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22351280 [2,0,0,0,0,0|0,0,0]=2 54 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22360659 [2,0,0,0,0,0|0,0,0]=2 55 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22432561 [2,0,0,0,0,0|0,0,0]=2 56 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22730958 [2,0,0,0,0,0|0,0,0]=2 57 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22733375 [2,0,0,0,0,0|0,0,0]=2 58 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22734450 [2,0,0,0,0,0|0,0,0]=2 59 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb19960036 [2,0,0,0,0,0|0,0,1]=3 60 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb20246443 [2,0,0,0,0,0|0,0,1]=3 61 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb21520391 [2,0,0,0,0,0|0,0,1]=3 62 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22338064 [2,0,0,0,0,0|0,0,1]=3 63 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22349267 [2,0,0,0,0,0|0,0,1]=3 64 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729194 [2,0,0,0,0,0|0,0,1]=3 65 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729375 [2,0,0,0,0,0|0,0,1]=3 66 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729952 [2,0,0,0,0,0|0,0,1]=3 67 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22730357 [2,0,0,0,0,0|0,0,1]=3 68 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22730716 [2,0,0,0,0,0|0,0,1]=3 69 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22731019 [2,0,0,0,0,0|0,0,1]=3 70 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22733452 [2,0,0,0,0,0|0,0,1]=3 71 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22733454 [2,0,0,0,0,0|0,0,1]=3 72 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22734062 [2,0,0,0,0,0|0,0,1]=3 73 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22734215 [2,0,0,0,0,0|0,0,1]=3 74 B19R0.149 CCCCCCCC\C=C/CCCCCCC[13C](=O)O Amb17618858 [2,0,0,0,0,0|0,0,0]=2 75 B19R0.149 CCCCCCCC\C=C/CCCCCCOC(C)=O Amb22740020 [2,0,0,0,0,0|1,0,0]=3 76 B19R0.149 CCCCCCCC\C=C/C\C=C/CCCCC(O)=O Amb21928932 [2,0,0,0,0,0|0,0,2]=4 77 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl Amb20001478 [2,0,0,0,0,0|1,0,0]=3 78 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(O)=O Amb22369201 [2,0,0,0,0,0|0,0,0]=2 79 B19R0.149 CCCCCCCC\[13CH]=[13CH]/CCCCCCC[13C](O)=O Amb22353961 [2,0,0,0,0,0|0,0,0]=2 80 B19R0.149 CCCCCCCC\[13CH]=[13CH]/[13CH2][13CH2]CCC[13CH2][13CH2][13C](O)=O Amb22353878 [2,0,0,0,0,0|0,0,0]=2 81 B19R0.149 CCCCCCC\C=C\C=C\CCCCCCC(O)=O Amb21928936 [2,0,0,0,0,0|0,0,2]=4 82 B19R0.149 CCCCCCC\C=C\CCCCCCCCC(O)=O Amb22040077 [2,0,0,0,0,0|0,0,2]=4 83 B19R0.149 CCCCCC\C=C/C=C\CCCCCCCC(O)=O Amb21928933 [2,0,0,0,0,0|0,0,2]=4 84 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(O)=O Amb21928935 [2,0,0,0,0,0|0,0,2]=4 85 B19R0.149 CCCCCC\C=C\C=C\CCCCCCCC(O)=O Amb21928938 [2,0,0,0,0,0|0,0,2]=4 86 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(O)=O Amb22359883 [2,0,0,0,0,0|0,0,2]=4 87 B19R0.149 [13CH3]C[13CH2]C[13CH2]C[13CH2]C\[13CH]=C/[13CH2]C[13CH2]C[13CH2]C[13CH2]C([O-])=O Amb22367644 [2,0,0,0,0,0|0,0,1]=3 88 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353668 [2,0,0,0,0,0|0,0,2]=4 89 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]C(O)=O Amb21928779 [2,0,0,0,0,0|0,0,0]=2 90 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22366940 [2,0,0,0,0,0|0,0,0]=2 91 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC Amb22336641 [1,1,0,0,0,0|0,0,1]=3 92 B21R0.21192 CCCCCCC(O)CCCCCCCCCCC(=O)OC Amb21928839 [1,1,0,0,0,0|0,0,2]=4 93 B21R0.21192 CCCCCCC(O)C\C=C\CCCCCCCC(=O)OC Amb22350251 [1,1,0,0,0,0|0,0,0]=2 94 B21R0.24664 CCC(C)CCCCCCCCCCCCCCC(=O)OC Amb21928859 [1,1,0,0,0,0|0,0,2]=4 95 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(C)C Amb21928854 [1,1,0,0,0,0|0,0,2]=4 96 B21R0.36393 CCCCCCCCCCCCCCCC(O)CC(=O)OC Amb21928834 [1,1,0,0,0,0|0,0,2]=4 97 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)OCC Amb22349623 [0,2,0,0,0,0|0,0,2]=4 98 B23R0.36661 CCCCCCCCCCCCCCCCNCCC(=O)OCC Amb20171941 [0,2,0,0,0,0|0,0,2]=4 99 B23R0.36661 CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC Amb22362807 [0,2,0,0,0,0|0,0,2]=4 100 B23R0.37240 CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CO)C Amb13883671 [0,2,0,0,0,0|1,0,0]=3 101 B23R0.37252 CCCCCCCC\C=C/CCCCCCCC(=O)O[Sn](C)(C)O Amb22731680 [0,2,0,0,0,0|1,0,0]=3 102 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)OCC(C)C Amb22732707 [0,2,0,0,0,0|0,0,2]=4 103 B23R0.9276 CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)O Amb22492452 [0,2,0,0,0,0|0,0,0]=2