0  B6R1.1  C1CCNCC1 YMDB01338 [0,0,0,0,0,0|1,0,0]=1
1  B7R1.3  CC1SCCSS1 YMDB01497 [0,1,0,0,0,0|3,0,0]=4
2  B7R1.3  OC1CCCCC1 YMDB01398 [0,1,0,0,0,0|2,0,0]=3
3  B5R0.2  CCCCCO YMDB01470 [0,0,1,0,0,0|2,0,0]=3
4  B5R0.2  CCSSCC YMDB01671 [0,0,1,0,0,0|3,0,0]=4
5  B5R0.2  CSCCC=O YMDB01466 [0,0,1,0,0,0|3,0,0]=4
6  B5R0.2  CSCCCO YMDB01427 [0,0,1,0,0,0|3,0,0]=4
7  B5R0.2  NCCCC=O YMDB00587 [0,0,1,0,0,0|2,0,1]=4
8  B5R0.2  NCCCCN YMDB00132 [0,0,1,0,0,0|2,0,0]=3
9  B5R1.1  C1CSCN1 YMDB01400 [0,0,0,0,1,0|1,0,0]=2
10  B4R0.2  CCCCO YMDB01386 [1,0,1,0,0,0|1,0,0]=3
11  B4R0.2  CCSCC YMDB01672 [1,0,1,0,0,0|1,0,0]=3
12  B4R0.2  CSCCO YMDB01590 [1,0,1,0,0,0|2,0,0]=4
13  B4R0.2  CSCSC YMDB01436 [1,0,1,0,0,0|2,0,0]=4
14  B4R0.2  NCCC=O YMDB00048 [1,0,1,0,0,0|1,0,1]=4
15  B4R0.2  NCCCN YMDB00042 [1,0,1,0,0,0|1,0,0]=3
16  B4R0.2  OCCCO YMDB02312 [1,0,1,0,0,0|2,0,0]=4
17  B6R0.1  CCC(C)CCO YMDB01428 [0,1,1,0,0,0|2,0,0]=4
18  B6R0.4  CC(C)CCCO YMDB01348 [0,1,1,0,0,0|2,0,0]=4
19  B6R0.4  CCCCC(C)O YMDB01793 [0,1,1,0,0,0|2,0,0]=4
20  B6R0.6  CCCCCC=O YMDB01759 [0,1,1,0,0,0|2,0,0]=4
21  B6R0.6  CCCCCCO YMDB01473 [0,1,1,0,0,0|2,0,0]=4
22  B6R0.6  CCOCCCO YMDB01423 [0,1,1,0,0,0|2,0,0]=4
23  B6R0.6  CC\C=C/CCO YMDB01420 [0,1,1,0,0,0|2,0,0]=4
24  B6R0.6  CC\C=C\CCO YMDB01421 [0,1,1,0,0,0|2,0,0]=4
25  B6R0.6  NCCCCCN YMDB02303 [0,1,1,0,0,0|1,0,0]=3
26  B6R1.2  O=C1CCCO1 YMDB01418 [0,1,0,0,1,0|1,0,1]=4