0  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)Cl 73288 [0,0,0,0,0,0|1,0,0]=1
1  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] F20724 [0,0,0,0,0,0|0,0,1]=1
2  B19R0.149  CCCCCCCCCCC\C=C/CCCCC(=O)O D91785 [0,0,0,0,0,0|0,0,2]=2
3  B19R0.149  CCCCC\C=C\C\C=C\CCCCCCCC(=O)O D75304 [0,0,0,0,0,0|0,0,4]=4
4  B18R0.176  CCCCCCCCCCCCCCCCC(=O)Cl D90952 [1,0,0,0,0,0|1,0,0]=2
5  B18R0.176  CCCCCCCCCCCCCCCOC(C)=O D92147 [1,0,0,0,0,0|2,0,0]=3
6  B18R0.221  CCCCCCCCCCCCCCCCCC#N D92228 [1,0,0,0,0,0|1,0,1]=3
7  B18R0.221  CCCCCCCCCCCCCCCCCCN D91799 [1,0,0,0,0,0|1,0,1]=3
8  B18R0.221  CCCCCCCCCSCCCCCCCCC D91688 [1,0,0,0,0,0|2,0,1]=4
9  B20R0.90  CCCCCC[C@H](O)C\C=C/CCCCCCCC(=O)[O-] A11440 [0,1,0,0,0,0|0,0,3]=4
10  B20R0.3034  C=CC(=O)OCCCCCCCCCCCCCCCC D91012 [0,1,0,0,0,0|2,0,0]=3
11  B20R0.3034  CCCCCCCCCCCCCCCCCC(=O)NN D92238 [0,1,0,0,0,0|1,0,0]=2
12  B20R0.3034  CCCCCCCC\C=C\CCCCCCCC(=O)OC D91837 [0,1,0,0,0,0|0,0,2]=3
13  B20R0.3034  CCCCCC\C=C\CCCCCCCCCC(=O)OC D91587 [0,1,0,0,0,0|0,0,2]=3
14  B20R0.3037  CCCCCCCCCCCCCCCC[C@H](Br)C(=O)O 39312 [0,1,0,0,0,0|0,0,0]=1
15  B20R0.32509  CCCCCCCCCCCCCCCCC[N+](C)(C)C D91025 [0,1,0,0,0,0|3,0,0]=4
16  B17R0.43  CCCCCCCCCCCCC\C=C\C(=O)O C16116 [2,0,0,0,0,0|0,0,2]=4
17  B17R0.43  CCCCCCCCCCCCSCCC(=O)O D90230 [2,0,0,0,0,0|1,0,0]=3
18  B17R0.117  CCCCCCCCCCCCCCCCC#N D90904 [2,0,0,0,0,0|1,0,1]=4
19  B19R0.3102  CCCCCCCCCCCCCCCCP(=O)(O)O T72502 [1,1,0,0,0,0|1,0,0]=3
20  B19R0.3102  CCCCCCCCCCCCCCCCS(=O)(=O)[O-] D90860 [1,1,0,0,0,0|1,0,1]=4
21  B19R0.36  CCCCCCCCCCCCCCCCCCNC D91402 [1,1,0,0,0,0|1,0,1]=4
22  B21R0.2907  CCCCCCCC\C=C\CCCCCCCC(=O)OCC D91817 [0,2,0,0,0,0|0,0,2]=4
23  B21R0.36399  CCCCCCCCCCCCCCCCCCS(=O)(=O)O D91804 [0,2,0,0,0,0|1,0,0]=3
24  B19R1.275  CCCCCCCCCCCCCC1CCCCC1 D92391 [1,0,0,1,0,0|1,0,1]=4