0  B6R0.1  COC(=O)CCN M21383 [1,0,0,0,0,0|1,0,2]=4
1  B6R0.6  CCC\C=C\C=O M21392 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.6  CC\C=C/CCO M27539 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.5  CCOC(=O)CC(=O)O M19544 [0,1,0,0,0,0|1,0,1]=3
4  B8R0.5  CCOC(=O)CC(=O)[O-] M27553 [0,1,0,0,0,0|1,0,1]=3
5  B8R0.5  CCOC(=O)CC(C)O M27074 [0,1,0,0,0,0|0,0,2]=3
6  B8R0.30  CCOP(=O)(O)OCC M20691 [0,1,0,0,0,0|2,0,1]=4
7  B8R1.4  O=C1CCNC(=O)N1 M19694 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.11  C=CN1CCCC1=O M24928 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.18  CC1=CC(=O)C(C)O1 M27545 [0,0,0,1,0,0|2,0,0]=3
10  B8R1.22  O=C1CCCCCN1 M27265 [0,0,0,1,0,0|1,0,2]=4
11  B5R0.1  CCCC(=O)O M19749 [2,0,0,0,0,0|0,0,2]=4
12  B5R0.1  CCCC(=O)[O-] M12232 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.1  CCOC(N)=O M14805 [2,0,0,0,0,0|1,0,0]=3
14  B5R0.1  CNCC(=O)O M17800 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.1  C\C=C\C(=O)O M19987 [2,0,0,0,0,0|0,0,0]=2
16  B7R0.2  COC(=O)CC(C)=O M19541 [1,1,0,0,0,0|0,0,1]=3
17  B7R0.3  COC(=O)CCCN M27562 [1,1,0,0,0,0|0,0,2]=4
18  B7R0.5  CCOC(=O)C(C)=O M21386 [1,1,0,0,0,0|0,0,0]=2
19  B7R1.2  CC1=CCC(=O)O1 M21296 [1,0,0,1,0,0|0,0,2]=4
20  B7R1.2  O=C1CCC(=O)O1 M27015 [1,0,0,1,0,0|2,0,0]=4
21  B7R1.3  O=C1CCCCO1 M19622 [1,0,0,1,0,0|0,0,1]=3
22  B7R1.4  C=C1CCOC1=O M20080 [1,0,0,1,0,0|0,0,0]=2
23  B7R1.4  CN1CCCC1=O M28477 [1,0,0,1,0,0|2,0,0]=4
24  B7R1.4  Cn1sccc1=O M27154 [1,0,0,1,0,0|2,0,0]=4
25  B7R1.4  NN1CCOC1=O M28617 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.8  CCOC1=CC=CC=C1 M23245 [0,1,0,1,0,0|1,0,1]=4
27  B9R1.27  CCN1C(=O)C=CC1=O M11165 [0,1,0,1,0,0|1,0,1]=4
28  B9R1.37  CC1=C(O)C(=O)C(C)O1 M20264 [0,1,0,1,0,0|2,0,0]=4
29  B9R1.37  CC1=C(O)C(=O)OC1C M29425 [0,1,0,1,0,0|0,0,0]=2
30  B9R1.38  CC1(C)OC(=O)NC1=O M15660 [0,1,0,1,0,0|2,0,0]=4
31  B9R1.66  CC1(O)CCOC(=O)C1 M15570 [0,1,0,1,0,0|0,0,2]=4