0  B6R1.1  C1CCOCC1 DB02412 [0,0,0,0,0,0|1,0,0]=1
1  B6R1.1  C1COCCO1 DB03316 [0,0,0,0,0,0|2,0,0]=2
2  B7R1.3  O=C1CCCCC1 DB02060 [0,1,0,0,0,0|0,0,1]=2
3  B7R1.3  OC1CCCCC1 DB03703 [0,1,0,0,0,0|0,0,0]=1
4  B7R1.3  [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,0,0,0|1,0,1]=3
5  B7R1.3  [NH3+]C1CCCCC1 DB02995 [0,1,0,0,0,0|0,0,0]=1
6  B5R0.2  CCCCC=O DB01919 [0,0,1,0,0,0|1,0,1]=3
7  B5R0.2  CCCCCN DB02045 [0,0,1,0,0,0|1,0,0]=2
8  B5R0.2  CCOCCO DB02249 [0,0,1,0,0,0|2,0,0]=3
9  B5R0.2  COCCOC DB01749 [0,0,1,0,0,0|2,0,0]=3
10  B5R0.2  NCCCCN DB01917 [0,0,1,0,0,0|2,0,0]=3
11  B5R0.2  OCCCCO DB01955 [0,0,1,0,0,0|2,0,0]=3
12  B5R0.2  [C-]#[N+]CCCC DB01826 [0,0,1,0,0,0|1,0,1]=3
13  B5R0.2  [NH3+]CCCCO DB02541 [0,0,1,0,0,0|2,0,0]=3
14  B4R0.2  CCCCN DB03659 [1,0,1,0,0,0|1,0,0]=3
15  B4R0.2  CCCCO DB02145 [1,0,1,0,0,0|1,0,0]=3
16  B4R0.2  COCCO DB02806 [1,0,1,0,0,0|2,0,0]=4
17  B4R0.2  OCCCO DB02774 [1,0,1,0,0,0|2,0,0]=4
18  B4R0.2  [C-]#[N+]CCC DB04050 [1,0,1,0,0,0|1,0,1]=4
19  B6R0.4  CCCCB(O)O DB02664 [0,1,1,0,0,0|2,0,0]=4
20  B6R0.4  CCCCC(=O)O DB02406 [0,1,1,0,0,0|1,0,1]=4
21  B6R0.4  CCCOC(C)=O DB01670 [0,1,1,0,0,0|1,0,1]=4
22  B6R0.6  NCCCCCN DB03854 [0,1,1,0,0,0|1,0,0]=3
23  B6R1.2  O=C1CCCO1 DB04699 [0,1,0,0,1,0|1,0,1]=4
24  B8R1.2  O=CN1CCCCC1 DB04113 [0,2,0,0,0,0|1,0,0]=3
25  B8R1.2  [NH3+]CC1CCCCC1 DB02435 [0,2,0,0,0,0|0,0,0]=2
26  B8R1.5  O[C@H]1CSSC[C@@H]1O DB01822 [0,2,0,0,0,0|2,0,0]=4
27  B8R1.5  [C@@H]1(O)CSSC[C@H]1O DB02693 [0,2,0,0,0,0|2,0,0]=4