0 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O Amb19930518 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl Amb16232724 [0,0,0,0,0,0|1,0,2]=3 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O Amb2708782 [0,0,0,0,0,0|0,0,2]=2 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O Amb34195662 [0,0,0,0,0,0|0,0,2]=2 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb20246452 [0,0,0,0,0,0|0,0,3]=3 5 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb21962914 [0,0,0,0,0,0|0,0,3]=3 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb22276139 [0,0,0,0,0,0|0,0,3]=3 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb6366566 [0,0,0,0,0,0|0,0,3]=3 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb8516681 [0,0,0,0,0,0|0,0,3]=3 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb8517289 [0,0,0,0,0,0|0,0,3]=3 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb9787727 [0,0,0,0,0,0|0,0,3]=3 11 B19R0.149 CCCCCCCCCCCCCCCCCC(C)=O Amb6366421 [0,0,0,0,0,0|1,0,2]=3 12 B19R0.149 CCCCCCCCCCCCCCCCNC(C)=O Amb3734342 [0,0,0,0,0,0|2,0,2]=4 13 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl Amb19944676 [0,0,0,0,0,0|2,0,2]=4 14 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O Amb9787518 [0,0,0,0,0,0|2,0,2]=4 15 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(=O)O Amb22732392 [0,0,0,0,0,0|0,0,4]=4 16 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O Amb22432561 [0,0,0,0,0,0|0,0,4]=4 17 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O Amb6600107 [0,0,0,0,0,0|0,0,4]=4 18 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O Amb33987863 [0,0,0,0,0,0|0,0,4]=4 19 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O Amb7809233 [0,0,0,0,0,0|0,0,4]=4 20 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O Amb6297192 [0,0,0,0,0,0|0,0,0]=0 21 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O Amb6307468 [0,0,0,0,0,0|0,0,4]=4 22 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O Amb33961505 [0,0,0,0,0,0|0,0,4]=4 23 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr Amb19887564 [0,0,0,0,0,0|1,0,2]=3 24 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl Amb20672053 [1,0,0,0,0,0|1,0,1]=3 25 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O Amb8515709 [1,0,0,0,0,0|0,0,1]=2 26 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] Amb22728751 [1,0,0,0,0,0|0,0,2]=3 27 B18R0.176 CCCCCCCCCCCCCCCNC(C)=O Amb31031069 [1,0,0,0,0,0|2,0,1]=4 28 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O Amb8390847 [1,0,0,0,0,0|1,0,1]=3 29 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr Amb9788803 [1,0,0,0,0,0|1,0,1]=3 30 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO Amb2701869 [1,0,0,0,0,0|1,0,1]=3 31 B18R0.221 CCCCCCCCCCCCCCCCCC=O Amb17673738 [1,0,0,0,0,0|0,0,2]=3 32 B18R0.221 CCCCCCCCCCCCCCCCCCO Amb8396381 [1,0,0,0,0,0|0,0,3]=4 33 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O Amb5718338 [0,1,0,0,0,0|0,0,3]=4 34 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O Amb5718337 [0,1,0,0,0,0|0,0,2]=3 35 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O Amb8517578 [0,1,0,0,0,0|0,0,2]=3 36 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] Amb28974725 [0,1,0,0,0,0|0,0,3]=4 37 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(N)=O Amb3987182 [0,1,0,0,0,0|1,0,2]=4 38 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC Amb21618725 [0,1,0,0,0,0|1,0,2]=4 39 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC Amb7092027 [0,1,0,0,0,0|1,0,2]=4 40 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC Amb8517030 [0,1,0,0,0,0|0,0,2]=3 41 B20R0.3034 CCCCCC\C=C/CCCCCCCCCC(=O)OC Amb6297210 [0,1,0,0,0,0|0,0,0]=1 42 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCBr Amb10071546 [0,1,0,0,0,0|1,0,2]=4 43 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O Amb6366311 [0,1,0,0,0,0|0,0,2]=3 44 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(=O)O Amb21520312 [0,1,0,0,0,0|0,0,2]=3 45 B20R0.17440 CCCCCCCCCC(O)CCCCCCCC(=O)O Amb5718340 [0,1,0,0,0,0|0,0,2]=3 46 B20R0.22238 CCCCCCCCCCCCC(O)CCCCC(=O)O Amb10810452 [0,1,0,0,0,0|0,0,2]=3 47 B20R0.26099 O=C(O)CCCCCCCCCCCCCCC(Cl)CCl Amb10071529 [0,1,0,0,0,0|1,0,2]=4 48 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O Amb8514349 [0,1,0,0,0,0|0,0,2]=3 49 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 Amb32405129 [0,0,0,1,0,0|0,0,2]=3 50 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O Amb22642012 [2,0,0,0,0,0|0,0,2]=4 51 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl Amb8515345 [2,0,0,0,0,0|1,0,0]=3 52 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb2708781 [2,0,0,0,0,0|0,0,0]=2 53 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb32414662 [2,0,0,0,0,0|0,0,0]=2 54 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb34915028 [2,0,0,0,0,0|0,0,0]=2 55 B17R0.43 CCCCCCCCCCCCCCCC(N)=O Amb9787492 [2,0,0,0,0,0|1,0,0]=3 56 B17R0.43 CCCCCCCCCCCCCCOC(C)=O Amb9787312 [2,0,0,0,0,0|2,0,0]=4 57 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [2,0,0,0,0,0|1,0,0]=3 58 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O Amb21928725 [2,0,0,0,0,0|0,0,2]=4 59 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [2,0,0,0,0,0|1,0,0]=3 60 B17R0.43 CCCCCCCC\C=C\CCCCCC(=O)O Amb31031047 [2,0,0,0,0,0|0,0,2]=4 61 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O Amb33723687 [2,0,0,0,0,0|0,0,0]=2 62 B17R0.43 NCCCCCCCCCCCCCCC(=O)O Amb33624987 [2,0,0,0,0,0|1,0,0]=3 63 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr Amb16231526 [2,0,0,0,0,0|1,0,0]=3 64 B17R0.117 CCCCCCCCCCCCCCCCCO Amb8514599 [2,0,0,0,0,0|0,0,2]=4 65 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC Amb9825438 [1,1,0,0,0,0|0,0,1]=3 66 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC Amb22352444 [1,1,0,0,0,0|0,0,0]=2 67 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr Amb10071547 [1,1,0,0,0,0|1,0,1]=4 68 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O Amb5718336 [0,2,0,0,0,0|0,0,2]=4 69 B21R0.9111 CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)O Amb22799607 [0,2,0,0,0,0|0,0,2]=4 70 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC Amb17672567 [0,2,0,0,0,0|0,0,2]=4 71 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC Amb9787597 [0,2,0,0,0,0|0,0,2]=4 72 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI Amb32413738 [0,2,0,0,0,0|0,0,2]=4 73 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC Amb18511748 [0,2,0,0,0,0|0,0,2]=4 74 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O Amb569790 [0,2,0,0,0,0|0,0,2]=4 75 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(=O)O Amb22337523 [0,2,0,0,0,0|0,0,0]=2 76 B21R0.81 CCCCC\C=C\C\C=C\CCCCCCCCCC(=O)O Amb21928664 [0,2,0,0,0,0|0,0,0]=2 77 B21R0.81 CCCCC\C=C\C\C=C\C\C=C\CCCCCCC(=O)O Amb30594182 [0,2,0,0,0,0|0,0,2]=4 78 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCBr Amb10071516 [0,2,0,0,0,0|0,0,2]=4 79 B21R0.81 O=C(O)CCCCCOCCCCCOCCCCCCCl Amb33719429 [0,2,0,0,0,0|1,0,1]=4 80 B19R1.46541 CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O Amb33931323 [1,0,0,1,0,0|0,0,1]=3 81 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O Amb3986889 [0,1,0,1,0,0|0,0,2]=4