0 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl 358448 [0,0,0,0,0,0|1,0,0]=1 1 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O 102341 [0,0,0,0,0,0|0,0,0]=0 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O 237888 [0,0,0,0,0,0|0,0,0]=0 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 361951 [0,0,0,0,0,0|0,0,1]=1 4 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O 098830 [0,0,0,0,0,0|0,0,2]=2 5 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] 103844 [0,0,0,0,0,0|0,0,3]=3 6 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] 105989 [0,0,0,0,0,0|0,0,3]=3 7 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O 003426 [0,0,0,0,0,0|0,0,2]=2 8 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O 103815 [0,0,0,0,0,0|0,0,2]=2 9 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O 046840 [0,0,0,0,0,0|0,0,4]=4 10 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl 477761 [1,0,0,0,0,0|1,0,0]=2 11 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O 240381 [1,0,0,0,0,0|0,0,0]=1 12 B18R0.176 CCCCCCCCCCCCCCCCN(C)C 134700 [1,0,0,0,0,0|3,0,0]=4 13 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr 465265 [1,0,0,0,0,0|1,0,0]=2 14 B18R0.221 CCCCCCCCCCCCCCCCCCBr 463265 [1,0,0,0,0,0|1,0,1]=3 15 B18R0.221 CCCCCCCCCCCCCCCCCCN 320187 [1,0,0,0,0,0|1,0,1]=3 16 B18R0.221 CCCCCCCCCCCCCCCCCCO 240948 [1,0,0,0,0,0|0,0,1]=2 17 B18R0.221 CCCCCCCCCCCCCCCCCCS 463402 [1,0,0,0,0,0|0,1,1]=3 18 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO 240960 [1,0,0,0,0,0|0,0,3]=4 19 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O 231087 [0,1,0,0,0,0|0,0,2]=3 20 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC 099628 [0,1,0,0,0,0|0,0,0]=1 21 B20R0.3034 CCCCCCCC\C=C\CCCCCCCC(=O)OC 098909 [0,1,0,0,0,0|0,0,2]=3 22 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl 099061 [2,0,0,0,0,0|1,0,0]=3 23 B17R0.43 CCCCCCCCCCCCCCCC(=O)O 225490 [2,0,0,0,0,0|0,0,0]=2 24 B17R0.43 CCCCCCCCCCCCCCCC(N)=O 102441 [2,0,0,0,0,0|1,0,0]=3 25 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O 094717 [2,0,0,0,0,0|0,0,2]=4 26 B17R0.117 C=CCCCCCCCCCCCCCCCC 098821 [2,0,0,0,0,0|0,0,1]=3 27 B17R0.117 CCCCCCCCCCCCCCCCCO 222774 [2,0,0,0,0,0|0,0,0]=2 28 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl 103571 [1,1,0,0,0,0|1,0,1]=4 29 B19R0.36 C=CCCCCCCCCCCCCCCCCCC 137800 [1,1,0,0,0,0|1,0,0]=3 30 B19R0.36 CCCCCCCCCCCCCCCCCCCC 099658 [1,1,0,0,0,0|1,0,1]=4 31 B21R0.21192 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC 105498 [0,2,0,0,0,0|0,0,2]=4 32 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC 177000 [0,2,0,0,0,0|0,0,0]=2 33 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC 053337 [0,2,0,0,0,0|0,0,2]=4 34 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O 079490 [0,2,0,0,0,0|0,0,0]=2 35 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 046810 [1,0,0,1,0,0|1,0,1]=4