0  B7R0.1  CCCCCCCO YMDB01475 [0,0,0,0,0,0|0,0,4]=4
1  B7R0.1  CCCC\C=C\C=O YMDB01706 [0,0,0,0,0,0|0,0,4]=4
2  B6R0.6  CCCCCCO YMDB01473 [1,0,0,0,0,0|0,0,3]=4
3  B6R0.6  CCC\C=C/C=O YMDB01655 [1,0,0,0,0,0|0,0,2]=3
4  B6R0.6  CCC\C=C\CO YMDB01676 [1,0,0,0,0,0|0,0,1]=2
5  B6R0.6  CCOCCCO YMDB01423 [1,0,0,0,0,0|1,0,2]=4
6  B6R0.6  CC\C=C/CCO YMDB01420 [1,0,0,0,0,0|0,0,1]=2
7  B6R0.6  CC\C=C\CCO YMDB01421 [1,0,0,0,0,0|0,0,1]=2
8  B6R0.6  C\C=C\C=C\CO YMDB01707 [1,0,0,0,0,0|0,0,0]=1
9  B8R0.1  CCOC(=O)CCCO YMDB01419 [0,1,0,0,0,0|1,0,2]=4
10  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [0,0,0,1,0,0|0,0,2]=3
11  B8R1.5  CC1=CC=CC=C1O YMDB01457 [0,0,0,1,0,0|0,0,2]=3
12  B8R1.8  SCCC1=CC=CO1 YMDB01460 [0,0,0,1,0,0|1,0,2]=4
13  B5R0.2  CCCCCO YMDB01470 [2,0,0,0,0,0|0,0,2]=4
14  B7R0.4  C\C=C\C=C\C(=O)O YMDB01784 [1,1,0,0,0,0|0,0,1]=3
15  B9R0.5  CCC=CCC(=O)OCC YMDB01357 [0,2,0,0,0,0|1,0,1]=4
16  B9R0.5  CCC\C=C\C(=O)OCC YMDB01365 [0,2,0,0,0,0|1,0,1]=4
17  B9R0.45  CCCC\C=C\C=C\C=O YMDB01795 [0,2,0,0,0,0|0,0,2]=4
18  B7R1.1  CCC1=CC=CO1 YMDB01437 [1,0,0,1,0,0|0,0,0]=2
19  B7R1.1  CCC1=NC=CS1 YMDB01505 [1,0,0,1,0,0|1,1,0]=4
20  B7R1.1  O=CC1=CC=CO1 YMDB01459 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,0,0,1,0,0|1,0,0]=3
22  B7R1.1  SCC1=CC=CO1 YMDB01433 [1,0,0,1,0,0|1,0,0]=3
23  B7R1.3  CC1=NC=CC=C1 YMDB01458 [1,0,0,1,0,0|1,0,1]=4
24  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [0,1,0,1,0,0|1,0,1]=4
25  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [0,1,0,1,0,0|0,0,2]=4
26  B9R1.15  COC1=CC=CC=C1O YMDB01430 [0,1,0,1,0,0|0,0,2]=4
27  B9R1.1  CCC1=CC=C(O)C=C1 YMDB01617 [0,1,0,1,0,0|1,0,1]=4
28  B9R1.21  CCC1=CSC(CC)=N1 YMDB01511 [0,1,0,1,0,0|2,0,0]=4