0 B20R1.31096 OC(=O)CCCCCCCCCCCC[C@@H]1CCC=C1 Amb21856064 [0,0,0,0,0,0|0,0,0]=0 1 B19R0.149 C#CCCCCCCCCCCCCCCCC(O)=O Amb19930518 [0,0,1,0,0,0|0,0,2]=3 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl Amb16232724 [0,0,1,0,0,0|1,0,2]=4 3 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22336663 [0,0,1,0,0,0|0,0,2]=3 4 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22352822 [0,0,1,0,0,0|0,0,2]=3 5 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22353520 [0,0,1,0,0,0|0,0,2]=3 6 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360658 [0,0,1,0,0,0|0,0,2]=3 7 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360670 [0,0,1,0,0,0|0,0,2]=3 8 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22731026 [0,0,1,0,0,0|0,0,2]=3 9 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22735002 [0,0,1,0,0,0|0,0,2]=3 10 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb20246452 [0,0,1,0,0,0|0,0,3]=4 11 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb21962914 [0,0,1,0,0,0|0,0,3]=4 12 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22045499 [0,0,1,0,0,0|0,0,3]=4 13 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22052433 [0,0,1,0,0,0|0,0,3]=4 14 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22168327 [0,0,1,0,0,0|0,0,3]=4 15 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22276139 [0,0,1,0,0,0|0,0,3]=4 16 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22360648 [0,0,1,0,0,0|0,0,3]=4 17 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22552492 [0,0,1,0,0,0|0,0,3]=4 18 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22729061 [0,0,1,0,0,0|0,0,3]=4 19 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22729091 [0,0,1,0,0,0|0,0,3]=4 20 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22730641 [0,0,1,0,0,0|0,0,3]=4 21 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22730931 [0,0,1,0,0,0|0,0,3]=4 22 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22731292 [0,0,1,0,0,0|0,0,3]=4 23 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22731742 [0,0,1,0,0,0|0,0,3]=4 24 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22732275 [0,0,1,0,0,0|0,0,3]=4 25 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22732705 [0,0,1,0,0,0|0,0,3]=4 26 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22733869 [0,0,1,0,0,0|0,0,3]=4 27 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22733890 [0,0,1,0,0,0|0,0,3]=4 28 B19R0.149 CCCCCCCCCCCCCCCCC[13C](=O)O Amb17620144 [0,0,1,0,0,0|0,0,2]=3 29 B19R0.149 CCCCCCCCCCCCCCCCC[14C](O)=O Amb22352519 [0,0,1,0,0,0|0,0,2]=3 30 B19R0.149 CCCCCCCCCCCCCCCC[13CH2]C(O)=O Amb22367350 [0,0,1,0,0,0|0,0,2]=3 31 B19R0.149 CCCCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22367511 [0,0,1,0,0,0|0,0,2]=3 32 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O Amb1150949 [0,0,1,0,0,0|1,0,2]=4 33 B19R0.149 ICCCCCCCCCCCCCCCCC(=O)O Amb10071542 [0,0,1,0,0,0|1,0,1]=3 34 B19R0.149 OC(=O)CCCCCCCCCCCCCCCCBr Amb19887564 [0,0,1,0,0,0|1,0,1]=3 35 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353668 [0,0,1,0,0,0|0,0,2]=3 36 B19R0.3040 CCCC(F)CCCCCCCSCCCCC(O)=O Amb20241157 [0,0,1,0,0,0|2,0,1]=4 37 B21R1.35032 OC(=O)CCCCCCCCCCCCc1ccccc1 Amb21935958 [0,0,0,0,0,1|0,0,3]=4 38 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O Amb10071540 [1,0,1,0,0,0|0,0,0]=2 39 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl Amb20672053 [1,0,1,0,0,0|1,0,1]=4 40 B18R0.176 CCCCCCCCCCCCCCCCC(C)=O Amb22350513 [1,0,1,0,0,0|1,0,1]=4 41 B18R0.176 CCCCCCCCCCCCCCCCC(O)=O Amb22338458 [1,0,1,0,0,0|0,0,1]=3 42 B18R0.176 CCCCCCCCCCCCCCCCC([O-])=O Amb22357986 [1,0,1,0,0,0|0,0,2]=4 43 B18R0.176 CCCCCCCCCCCCCCCCC([O-])=O Amb22728751 [1,0,1,0,0,0|0,0,2]=4 44 B18R0.176 OC(=O)CCCCCCCCCCCCCCCS Amb22336970 [1,0,1,0,0,0|1,0,0]=3 45 B18R0.221 C=CCCCCCCCCCCCCCCCC=C Amb22641572 [1,0,1,0,0,0|1,0,0]=3 46 B18R0.221 C=CCCCCCCCCCCCCCCCCBr Amb24323318 [1,0,1,0,0,0|1,0,1]=4 47 B18R0.221 CCCCCCCCCCCCCCCCCC=O Amb17673738 [1,0,1,0,0,0|0,0,2]=4 48 B18R0.114 CCC(C)CCCCCCCCCCCCC(O)=O Amb21928810 [1,0,1,0,0,0|0,0,1]=3 49 B18R0.114 OC(=O)CCCCCCCCCCCCC(F)CBr Amb22547627 [1,0,1,0,0,0|2,0,0]=4 50 B20R0.68 CCCCCCCCC(C)CCCCCCCCC(O)=O Amb21928871 [0,1,1,0,0,0|0,0,2]=4 51 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(O)=O Amb21935949 [0,1,1,0,0,0|0,0,2]=4 52 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(O)=O Amb22832001 [0,1,1,0,0,0|0,0,2]=4 53 B20R0.3034 BrCCCCCCCCCCCCCCCCC(=O)OC Amb10071546 [0,1,1,0,0,0|1,0,1]=4 54 B20R0.3034 CCCCCCCCCCCCCCCCC[13C](=O)OC Amb17617764 [0,1,1,0,0,0|0,0,2]=4 55 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO Amb21928828 [0,1,1,0,0,0|1,0,1]=4 56 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(O)=O Amb21520312 [0,1,1,0,0,0|0,0,2]=4 57 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](O)C(O)=O Amb22801224 [0,1,1,0,0,0|0,0,2]=4 58 B20R0.22238 CCCCCCCCCCCCC(CCCCC(=O)O)O Amb10810452 [0,1,1,0,0,0|0,0,2]=4 59 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(O)=O Amb21928872 [0,1,1,0,0,0|0,0,2]=4 60 B20R0.26099 ClCC(CCCCCCCCCCCCCCC(=O)O)Cl Amb10071529 [0,1,1,0,0,0|1,0,1]=4 61 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(O)=O Amb21928873 [0,1,1,0,0,0|0,0,2]=4 62 B20R0.35227 OC(=O)CCCCCCCCCCCCCCCC(O)=O Amb24184044 [0,1,1,0,0,0|1,0,0]=3 63 B22R1.58447 CCOC(=O)CCCCCCCCCCCC[C@@H]1CCC=C1 Amb22801202 [0,2,0,0,0,0|0,0,0]=2 64 B20R2.2298692 CCCCCCCCCCCCC1CC2CC1C=C2 Amb24089376 [1,0,0,1,0,0|1,0,1]=4