0  B7R0.7  CCO[PH](=O)OCC DB02811 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.1  CCNC(=O)OC DB03919 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.1  CCOC(=O)NC DB02856 [1,0,0,0,0,0|1,0,0]=2
3  B8R0.30  CCOP(O)(=S)OCC DB07674 [0,1,0,0,0,0|2,0,1]=4
4  B8R1.4  C[C@H]1CC=CC(=O)O1 DB14121 [0,0,0,1,0,0|0,0,2]=3
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|0,0,0]=2
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|1,0,1]=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|1,0,1]=4
11  B5R0.1  C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.1  C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|0,0,2]=4
13  B5R0.1  NCCC(=O)O DB03107 [2,0,0,0,0,0|1,0,0]=3
14  B5R0.1  NOCC(=O)O DB02079 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.1  O=C(O)CCO DB03688 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.2  CCCCCN DB02045 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.2  CCOCCO DB02249 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.2  COCCOC DB01749 [2,0,0,0,0,0|1,0,1]=4
19  B5R0.3  O=C(CO)CO DB01775 [2,0,0,0,0,0|2,0,0]=4
20  B9R0.5  O=CCCSC(=O)CC[S-] DB04749 [0,2,0,0,0,0|1,1,0]=4
21  B9R0.53  CC(C)O[PH](=O)OC(C)C DB04491 [0,2,0,0,0,0|2,0,0]=4
22  B9R0.15  CCCC(CCC)C(N)=O DB04165 [0,2,0,0,0,0|1,0,1]=4
23  B7R1.3  O=C1CCCCC1 DB02060 [1,0,0,1,0,0|0,0,0]=2
24  B7R1.3  OC1CCCCC1 DB03703 [1,0,0,1,0,0|0,0,2]=4
25  B7R1.3  [NH3+]C1CCCCC1 DB02995 [1,0,0,1,0,0|1,0,1]=4
26  B7R1.4  N[C@@H]1CCOC1=O DB02624 [1,0,0,1,0,0|1,0,0]=3
27  B9R1.27  CCN1C(=O)CCC1=O DB01902 [0,1,0,1,0,0|1,0,1]=4
28  B9R1.69  [C@H]1(O)CC[C@H](O)O[C@@H]1C DB03872 [0,1,0,1,0,0|0,0,2]=4
29  B9R2.39  [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,2,0,0|1,0,0]=3