0  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] D92227 [0,0,0,0,0,0|0,0,3]=3
1  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] D92253 [0,0,0,0,0,0|0,0,3]=3
2  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] O11711 [0,0,0,0,0,0|0,0,3]=3
3  B19R0.149  CCCCCCCCCCCCCCCCNC(C)=O D83827 [0,0,0,0,0,0|2,0,2]=4
4  B19R0.149  CCCCCCCCCCCCCCCCOC(=O)Cl D89347 [0,0,0,0,0,0|2,0,2]=4
5  B19R0.149  CCCCCCCC\C=C/CCCCCCCC(=O)Cl F20352 [0,0,0,0,0,0|1,0,0]=1
6  B19R0.149  CCCCCCCC\C=C/CCCCCCCC(=O)O AT13415 [0,0,0,0,0,0|0,0,0]=0
7  B19R0.149  CCCCCCCC\C=C\CCCCCCCC(=O)[O-] A11459 [0,0,0,0,0,0|0,0,1]=1
8  B19R0.149  CCCCC\C=C/C\C=C/CCCCCCCC(=O)O 12474 [0,0,0,0,0,0|0,0,2]=2
9  B18R0.176  CCCCCCCCCCCCCCCCC(=O)O H10748 [1,0,0,0,0,0|0,0,1]=2
10  B18R0.176  CCCCCCCCCCCCCCSCC(=O)O D92744 [1,0,0,0,0,0|1,0,1]=3
11  B18R0.176  O=C(O)CCCCCCCCCCCCCCCBr 73942 [1,0,0,0,0,0|1,0,1]=3
12  B18R0.221  CCCCCCCCCCCCCCCCCC=O H11152 [1,0,0,0,0,0|0,0,2]=3
13  B18R0.221  CCCCCCCC\C=C/CCCCCCCCN D78006 [1,0,0,0,0,0|1,0,1]=3
14  B18R0.221  CCCCC\C=C/C\C=C/CCCCCCCCO 64708 [1,0,0,0,0,0|0,0,3]=4
15  B18R0.221  CCCCC\C=C/C\C=C/CCCCCCCCO W16154 [1,0,0,0,0,0|0,0,3]=4
16  B20R0.90  CCCCCC[C@H](O)CCCCCCCCCCC(=O)[O-] D95648 [0,1,0,0,0,0|0,0,3]=4
17  B20R0.3034  CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC S12107 [0,1,0,0,0,0|0,0,2]=3
18  B20R0.31940  CCCCCCCCCCCCCCCCCCC(=O)O H10838 [0,1,0,0,0,0|0,0,2]=3
19  B20R0.31940  CCCCCCCCCCCCCCCCCOC(C)=O D88413 [0,1,0,0,0,0|1,0,2]=4
20  B20R0.31940  O=C(O)CCCCCCCCCCCCCCCCCO D83465 [0,1,0,0,0,0|0,0,2]=3
21  B17R0.43  CCCCCCCCCCCCCCCC(=O)O AC9381 [2,0,0,0,0,0|0,0,0]=2
22  B17R0.43  CCCCCCCCCCCCCCCC(=O)O D93465 [2,0,0,0,0,0|0,0,0]=2
23  B17R0.43  CCCCCCCCCCCCCCCC(=O)[O-] D91887 [2,0,0,0,0,0|0,0,1]=3
24  B17R0.43  CCCCCCCCCCCCCCCC(N)=O A11794 [2,0,0,0,0,0|1,0,0]=3
25  B17R0.43  CCCCCCCCCCCCCCC[13C](=O)O D78975 [2,0,0,0,0,0|0,0,0]=2
26  B17R0.43  CCCCCCCCCCCCCCOC(C)=O 25251 [2,0,0,0,0,0|2,0,0]=4
27  B17R0.43  CCCCCC\C=C/CCCCCCCC(=O)O D82037 [2,0,0,0,0,0|0,0,0]=2
28  B17R0.43  O=C(O)CCCCCCCCCCCCCCO D90928 [2,0,0,0,0,0|1,0,0]=3
29  B17R0.117  CCCCCCCCCCCCCCCCC=O H10978 [2,0,0,0,0,0|0,0,1]=3
30  B17R0.117  CCCCCCCCCCCCCCCCCO O11822 [2,0,0,0,0,0|0,0,2]=4
31  B19R0.148  CCCCCCCCCCCCCCCCC(=O)OC H10839 [1,1,0,0,0,0|0,0,1]=3
32  B21R0.2907  C=COC(=O)CCCCCCCCCCCCCCCCC D95414 [0,2,0,0,0,0|0,0,2]=4
33  B21R0.2907  CCCCCCCCCCCCCCCCCC(=O)OCC D92247 [0,2,0,0,0,0|0,0,2]=4
34  B21R0.2907  CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC D91254 [0,2,0,0,0,0|0,0,2]=4
35  B21R0.36766  CCCCCCCCCCCCCCCCCCC(=O)OC H10860 [0,2,0,0,0,0|0,0,2]=4
36  B21R0.81  CCCCCCCCCCCCCCCCCCCC(=O)O O11825 [0,2,0,0,0,0|0,0,2]=4