0  B21R0.81  CCCCCCCC/C=C\CCCCCCCCOC(=O)N S354171 [0,0,0,0,0,0|2,0,0]=2
1  B21R0.81  CCCCCCCCSCCCCCCCCCCC(=O)[O-] S233463 [0,0,0,0,0,0|1,0,2]=3
2  B22R0.2907  CCCCCCCCCCCCCCCCCCOCC(=O)[O-] S986801 [0,1,0,0,0,0|0,0,3]=4
3  B22R1.5535  CCCCCCCCCCCCCCCC1CCCC(=O)C1 S597945 [0,0,0,1,0,0|1,0,2]=4
4  B19R0.149  CCCCC/C=C/C/C=C/CCCCCCCC(=O)O S573027 [2,0,0,0,0,0|0,0,2]=4
5  B19R0.149  CCCCCCCC/C=C\CCCCCCCC(=O)O CDS003411 [2,0,0,0,0,0|0,0,0]=2
6  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [2,0,0,0,0,0|0,0,0]=2
7  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825972 [2,0,0,0,0,0|0,0,0]=2
8  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825980 [2,0,0,0,0,0|0,0,0]=2
9  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] CDS003888 [2,0,0,0,0,0|0,0,1]=3
10  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] S836826 [2,0,0,0,0,0|0,0,1]=3
11  B19R0.149  CCCCCCCCCCCCCCCCCC(=S)N S553670 [2,0,0,0,0,0|1,1,0]=4
12  B19R0.149  CCCCCCCCCCCCCCCCCC(C)O S454699 [2,0,0,0,0,0|1,0,1]=4
13  B19R0.149  CCCCCCCCCCCCCCCCNC(=O)N S810681 [2,0,0,0,0,0|2,0,0]=4
14  B19R0.149  CCCCCCCCCCCCCCCCSC(=O)C S387207 [2,0,0,0,0,0|2,0,0]=4
15  B23R0.1154749  CCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)O S234842 [0,2,0,0,0,0|1,0,1]=4
16  B23R0.36959  C=CCCCCCCCCCCCCCCCCCCCC(=O)O S871044 [0,2,0,0,0,0|0,0,2]=4
17  B23R0.36959  CCCCCCCC/C=C/CCCCCCCCCCCC(=O)Cl PH009813 [0,2,0,0,0,0|1,0,0]=3
18  B23R0.36959  CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O S567590 [0,2,0,0,0,0|0,0,0]=2
19  B21R1.17805  CCCCCCCCC1OC1CCCCCCCC(=O)O S812463 [1,0,0,1,0,0|1,0,1]=4