0  B7R0.1  CCCCCCC=O YMDB01704 [0,0,0,0,0,0|1,1,1]=3
1  B7R0.1  CCCCCCCO YMDB01475 [0,0,0,0,0,0|1,1,1]=3
2  B7R0.1  CCCC\C=C\C=O YMDB01706 [0,0,0,0,0,0|1,1,2]=4
3  B7R0.1  OCCCCCCO YMDB01709 [0,0,0,0,0,0|2,1,1]=4
4  B6R0.6  CCCCCC=O YMDB01759 [1,0,0,0,0,0|0,1,1]=3
5  B6R0.6  CCCCCCO YMDB01473 [1,0,0,0,0,0|0,1,1]=3
6  B6R0.6  CCOCCCO YMDB01423 [1,0,0,0,0,0|1,1,1]=4
7  B6R0.6  NCCCCCN YMDB02303 [1,0,0,0,0,0|2,0,1]=4
8  B8R0.4  CCCCCCCC=O YMDB00824 [0,1,0,0,0,0|1,1,1]=4
9  B8R0.4  CCCCCCCCO YMDB00808 [0,1,0,0,0,0|1,1,1]=4
10  B8R0.6  C=CC(=O)CCCCC YMDB01444 [0,1,0,0,0,0|2,0,1]=4
11  B8R0.6  C=CC(O)CCCCC YMDB01352 [0,1,0,0,0,0|2,0,1]=4
12  B8R0.6  CCCCCC(=O)OC YMDB01333 [0,1,0,0,0,0|3,0,0]=4
13  B8R0.7  CC(C)CCCCCO YMDB01717 [0,1,0,0,0,0|1,1,1]=4
14  B8R0.7  CCCCCCC(=O)O YMDB01705 [0,1,0,0,0,0|1,1,1]=4
15  B8R0.7  CCCCCOC(C)=O YMDB01471 [0,1,0,0,0,0|1,1,1]=4
16  B5R0.2  CCCCCO YMDB01470 [2,0,0,0,0,0|0,1,0]=3
17  B5R0.2  CSCCCO YMDB01427 [2,0,0,0,0,0|1,1,0]=4
18  B5R0.2  NCCCCN YMDB00132 [2,0,0,0,0,0|1,0,1]=4
19  B7R0.4  CC(C)CCCCO YMDB01409 [1,1,0,0,0,0|0,1,1]=4
20  B7R0.4  CCCCCC(=O)O YMDB01424 [1,1,0,0,0,0|0,1,1]=4
21  B7R0.4  CCCCCC(C)=O YMDB01337 [1,1,0,0,0,0|0,1,1]=4
22  B7R0.4  CCCCCC(C)O YMDB01343 [1,1,0,0,0,0|0,1,1]=4
23  B7R0.7  CCCC(S)CCO YMDB01417 [1,1,0,0,0,0|0,1,1]=4
24  B7R1.1  OCC1CCCC1 YMDB01361 [1,0,0,1,0,0|0,1,1]=4
25  B7R1.3  OC1CCCCC1 YMDB01398 [1,0,0,1,0,0|0,1,1]=4