0  B7R0.7  CCO[PH](=O)OCC DB02811 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.1  CCNC(=O)OC DB03919 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.1  CCOC(=O)NC DB02856 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.6  NCCCCCN DB03854 [1,0,0,0,0,0|2,0,1]=4
4  B8R1.4  C[C@H]1CC=CC(=O)O1 DB14121 [0,0,0,1,0,0|1,0,2]=4
5  B5R0.1  CC(=O)CCO DB04094 [2,0,0,0,0,0|1,0,0]=3
6  B5R0.1  CCCC(=O)O DB03568 [2,0,0,0,0,0|1,0,0]=3
7  B5R0.1  CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,0]=3
8  B5R0.1  CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|2,0,0]=4
9  B5R0.1  CSC[S@](C)=O DB02311 [2,0,0,0,0,0|2,0,0]=4
10  B5R0.1  C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.1  C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.1  NCCC(=O)O DB03107 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.1  O=C(O)CCO DB03688 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.2  CCCCC=O DB01919 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.2  CCCCCN DB02045 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.2  CCOCCO DB02249 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.2  COCCOC DB01749 [2,0,0,0,0,0|2,0,0]=4
18  B5R0.2  NCCCCN DB01917 [2,0,0,0,0,0|2,0,0]=4
19  B5R0.2  OCCCCO DB01955 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.2  [C-]#[N+]CCCC DB01826 [2,0,0,0,0,0|1,0,1]=4
21  B5R0.2  [NH3+]CCCCO DB02541 [2,0,0,0,0,0|2,0,0]=4
22  B5R0.3  O=C(CO)CO DB01775 [2,0,0,0,0,0|2,0,0]=4
23  B7R0.1  NCCCCCCN DB03260 [1,1,0,0,0,0|1,0,1]=4
24  B7R0.1  OCCCCCCBr DB04637 [1,1,0,0,0,0|1,0,1]=4
25  B7R0.1  OCCCCCCO DB02210 [1,1,0,0,0,0|1,0,1]=4
26  B9R0.5  O=CCCSC(=O)CC[S-] DB04749 [0,2,0,0,0,0|1,0,1]=4
27  B9R0.15  CCCC(CCC)C(N)=O DB04165 [0,2,0,0,0,0|0,0,1]=3
28  B7R1.3  O=C1CCCCC1 DB02060 [1,0,0,1,0,0|0,0,0]=2
29  B7R1.3  OC1CCCCC1 DB03703 [1,0,0,1,0,0|0,0,2]=4
30  B7R1.3  [NH3+]C1CCCCC1 DB02995 [1,0,0,1,0,0|1,0,1]=4
31  B7R1.4  N[C@@H]1CCOC1=O DB02624 [1,0,0,1,0,0|2,0,0]=4
32  B9R1.27  CCN1C(=O)CCC1=O DB01902 [0,1,0,1,0,0|1,0,1]=4
33  B9R2.39  [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,2,0,0|0,0,0]=2