0 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O L01294 [0,0,0,0,0,0|0,0,2]=2 1 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C B21178 [0,0,0,0,0,0|1,0,0]=1 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O A12244 [0,0,0,0,0,0|0,0,0]=0 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O A17673 [0,0,0,0,0,0|0,0,0]=0 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 33238 [0,0,0,0,0,0|0,0,1]=1 5 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 39125 [0,0,0,0,0,0|0,0,1]=1 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 39335 [0,0,0,0,0,0|0,0,1]=1 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 39423 [0,0,0,0,0,0|0,0,1]=1 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 39451 [0,0,0,0,0,0|0,0,1]=1 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 39605 [0,0,0,0,0,0|0,0,1]=1 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 39648 [0,0,0,0,0,0|0,0,1]=1 11 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] 43352 [0,0,0,0,0,0|0,0,1]=1 12 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] A16244 [0,0,0,0,0,0|0,0,1]=1 13 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O 31997 [0,0,0,0,0,0|0,0,2]=2 14 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O A16663 [0,0,0,0,0,0|0,0,2]=2 15 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O A14832 [0,0,0,0,0,0|0,0,2]=2 16 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O A15265 [0,0,0,0,0,0|0,0,4]=4 17 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O L07949 [0,0,0,0,0,0|0,0,4]=4 18 B18R0.176 C(CCCCCCCC(=O)O)CCCCCCCO A17845 [1,0,0,0,0,0|1,0,0]=2 19 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O L05928 [1,0,0,0,0,0|0,0,0]=1 20 B18R0.221 CCCCCCCCCCCCCCCCCCBr A15588 [1,0,0,0,0,0|1,0,1]=3 21 B18R0.221 CCCCCCCCCCCCCCCCCCC L05701 [1,0,0,0,0,0|1,0,1]=3 22 B18R0.221 CCCCCCCCCCCCCCCCCCCl B24900 [1,0,0,0,0,0|1,0,1]=3 23 B18R0.221 CCCCCCCCCCCCCCCCCCN 41378 [1,0,0,0,0,0|1,0,1]=3 24 B18R0.221 CCCCCCCCCCCCCCCCCCN L15458 [1,0,0,0,0,0|1,0,1]=3 25 B18R0.221 CCCCCCCCCCCCCCCCCCO A12020 [1,0,0,0,0,0|0,0,1]=2 26 B18R0.221 CCCCCCCCCCCCCCCCCCS L04123 [1,0,0,0,0,0|0,1,1]=3 27 B18R0.221 CCCCCCCCCCCCCCCCCC[Zn+] H58822 [1,0,0,0,0,0|1,0,1]=3 28 B18R0.221 CCCCCCCCCCCCCCCCNC=O B20404 [1,0,0,0,0,0|1,0,0]=2 29 B18R0.221 CCCCCCCCCSCCCCCCCCC L10638 [1,0,0,0,0,0|2,0,1]=4 30 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO A18018 [1,0,0,0,0,0|0,0,3]=4 31 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO H33475 [1,0,0,0,0,0|0,0,3]=4 32 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)O)O 44810 [0,1,0,0,0,0|0,0,0]=1 33 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)O)O A17347 [0,1,0,0,0,0|0,0,0]=1 34 B20R0.3034 CCCCCCCCC#CCCCCCCCC(=O)OC H26080 [0,1,0,0,0,0|0,0,2]=3 35 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN A18291 [0,1,0,0,0,0|1,0,0]=2 36 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC A13265 [0,1,0,0,0,0|0,0,0]=1 37 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC H31358 [0,1,0,0,0,0|0,0,2]=3 38 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC L02937 [0,1,0,0,0,0|0,0,2]=3 39 B20R0.3034 CCCCCCCC\C=C\CCCCCCCC(=O)OC H30458 [0,1,0,0,0,0|0,0,2]=3 40 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] L06402 [0,1,0,0,0,0|2,0,1]=4 41 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O B21670 [2,0,0,0,0,0|1,0,0]=3 42 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl A13812 [2,0,0,0,0,0|1,0,0]=3 43 B17R0.43 CCCCCCCCCCCCCCCC(=O)O B20322 [2,0,0,0,0,0|0,0,0]=2 44 B17R0.117 CCCCCCCCCCCCCCCCC#C H33288 [2,0,0,0,0,0|0,0,2]=4 45 B17R0.117 CCCCCCCCCCCCCCCCC=C L11004 [2,0,0,0,0,0|0,0,1]=3 46 B17R0.117 CCCCCCCCCCCCCCCCCC 31954 [2,0,0,0,0,0|0,0,1]=3 47 B17R0.117 CCCCCCCCCCCCCCCCCC 44301 [2,0,0,0,0,0|0,0,1]=3 48 B17R0.117 CCCCCCCCCCCCCCCCCC 44512 [2,0,0,0,0,0|0,0,1]=3 49 B17R0.117 CCCCCCCCCCCCCCCCCO L20404 [2,0,0,0,0,0|0,0,0]=2 50 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl A14396 [1,1,0,0,0,0|1,0,1]=4 51 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] B20382 [1,1,0,0,0,0|1,0,1]=4 52 B19R0.36 CCCCCCCCCCCCCCCCCCCC A13853 [1,1,0,0,0,0|1,0,1]=4 53 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC A16807 [0,2,0,0,0,0|0,0,0]=2 54 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC A15601 [0,2,0,0,0,0|0,0,2]=4 55 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O A19616 [0,2,0,0,0,0|0,0,0]=2 56 B21R0.36399 CCCCCCCCCCCCCCCCCCP(=O)(O)O 20645 [0,2,0,0,0,0|1,0,0]=3 57 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl L02406 [0,2,0,0,0,0|1,0,1]=4 58 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 L07622 [1,0,0,1,0,0|1,0,1]=4