0 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl 21361 [0,0,0,0,0,0|1,0,0]=1 1 B17R0.43 CCCCCCCCCCCCCCCC(=O)O 26635 [0,0,0,0,0,0|0,0,0]=0 2 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O 18101 [0,1,0,0,0,0|1,0,1]=3 3 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)=O 12800 [1,1,0,0,0,0|1,0,1]=4 4 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O 18099 [1,1,0,0,0,0|1,0,1]=4 5 B17R0.117 BrCCCCCCCCCCCCCCCCBr 35445 [1,1,0,0,0,0|1,0,1]=4 6 B17R0.117 CCCCCCCCCCCCCCCCCBr 36026 [1,1,0,0,0,0|1,0,1]=4 7 B19R0.3040 CCCC(F)CCCCCCCSCCCCC(=O)O 20428 [0,2,0,0,0,0|0,0,0]=2 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl 21364 [0,2,0,0,0,0|1,0,0]=3 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl 21365 [0,2,0,0,0,0|1,0,0]=3 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O 44857 [0,2,0,0,0,0|0,0,0]=2 11 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 12866 [0,2,0,0,0,0|0,0,1]=3 12 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O 24077 [0,2,0,0,0,0|0,0,0]=2 13 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] 27479 [0,2,0,0,0,0|0,0,1]=3 14 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O 28996 [0,2,0,0,0,0|0,0,2]=4 15 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl 25714 [0,2,0,0,0,0|1,0,1]=4 16 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 35446 [1,0,0,1,0,0|1,0,0]=3