0  B7R1.3  O=C1CCCCC1 DB02060 [0,0,0,0,0,0|2,0,1]=3
1  B7R1.3  OC1CCCCC1 DB03703 [0,0,0,0,0,0|2,0,0]=2
2  B7R1.3  [C@@H]1(N)CCC=NC1 DB04504 [0,0,0,0,0,0|3,0,1]=4
3  B7R1.3  [NH3+]C1CCCCC1 DB02995 [0,0,0,0,0,0|2,0,0]=2
4  B6R1.1  C1CCOCC1 DB02412 [1,0,0,0,0,0|1,0,0]=2
5  B6R1.1  C1COCCO1 DB03316 [1,0,0,0,0,0|2,0,0]=3
6  B8R1.2  O=CN1CCCCC1 DB04113 [0,1,0,0,0,0|2,0,1]=4
7  B8R1.2  [NH3+]CC1CCCCC1 DB02435 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.1  CCNC(=O)OC DB03919 [0,0,1,0,0,0|2,0,1]=4
9  B6R0.1  CCOC(=O)NC DB02856 [0,0,1,0,0,0|2,0,1]=4
10  B6R0.4  CCCCB(O)O DB02664 [0,0,1,0,0,0|3,0,0]=4
11  B6R0.4  CCCCC(=O)O DB02406 [0,0,1,0,0,0|2,0,1]=4
12  B6R0.4  CCCOC(C)=O DB01670 [0,0,1,0,0,0|2,0,1]=4
13  B6R0.6  NCCCCCN DB03854 [0,0,1,0,0,0|1,0,0]=2
14  B6R1.2  O=C1CCCO1 DB04699 [0,0,0,0,1,0|2,0,1]=4
15  B5R0.1  CC(C)CCO DB02296 [1,0,1,0,0,0|1,0,0]=3
16  B5R0.1  CC(O)CCO DB14110 [1,0,1,0,0,0|2,0,0]=4
17  B5R0.1  CCCC(N)=O DB02121 [1,0,1,0,0,0|1,0,1]=4
18  B5R0.1  CN(C)CCO DB13352 [1,0,1,0,0,0|2,0,0]=4
19  B5R0.1  C[C@H](O)CCO DB02202 [1,0,1,0,0,0|2,0,0]=4
20  B5R0.2  CCCCC=O DB01919 [1,0,1,0,0,0|1,0,1]=4
21  B5R0.2  CCCCCN DB02045 [1,0,1,0,0,0|0,0,0]=2
22  B5R0.2  CCOCCO DB02249 [1,0,1,0,0,0|2,0,0]=4
23  B5R0.2  COCCOC DB01749 [1,0,1,0,0,0|2,0,0]=4
24  B5R0.2  NCCCCN DB01917 [1,0,1,0,0,0|1,0,0]=3
25  B5R0.2  OCCCCO DB01955 [1,0,1,0,0,0|2,0,0]=4
26  B5R0.2  [C-]#[N+]CCCC DB01826 [1,0,1,0,0,0|0,0,2]=4
27  B5R0.2  [NH3+]CCCCO DB02541 [1,0,1,0,0,0|1,0,1]=4
28  B7R0.1  NCCCCCCN DB03260 [0,1,1,0,0,0|0,0,0]=2
29  B7R0.1  OCCCCCCBr DB04637 [0,1,1,0,0,0|1,0,0]=3
30  B7R0.1  OCCCCCCO DB02210 [0,1,1,0,0,0|1,0,0]=3
31  B7R1.1  NC[C@@H]1CCCN1 DB03253 [0,1,0,0,1,0|0,0,0]=2
32  B9R1.8  O=CNC1CCCCC1 DB03559 [0,2,0,0,0,0|1,0,1]=4
33  B9R1.69  [C@H]1(O)CC[C@H](O)O[C@@H]1C DB03872 [0,2,0,0,0,0|1,0,0]=3
34  B9R2.39  [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,1,0,1,0,0|1,0,0]=3