0  B8R0.5  CCOC(=O)CC(=O)O M19544 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.5  CCOC(=O)CC(=O)[O-] M27553 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.5  CCOC(=O)CC(C)O M27074 [0,0,0,0,0,0|1,0,0]=1
3  B7R0.2  CC(C)C[C@H](N)CO M20355 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.2  COC(=O)CC(C)=O M19541 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.4  CCCCCC(C)N M10956 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.4  CCCCCC(C)O M28052 [1,0,0,0,0,0|2,0,1]=4
7  B9R1.66  CC1(O)CCOC(=O)C1 M15570 [0,0,0,1,0,0|1,0,0]=2
8  B7R0.5  CCOC(=O)C(C)=O M21386 [0,0,0,0,1,0|1,0,1]=3
9  B6R0.1  COC(=O)CCN M21383 [2,0,0,0,0,0|1,0,0]=3
10  B6R0.2  CC(=O)CC(C)C M20232 [2,0,0,0,0,0|0,0,0]=2
11  B6R0.2  CC(C)=CC(=O)O M19993 [2,0,0,0,0,0|0,0,2]=4
12  B6R0.2  CC(C)CC(=O)O M20269 [2,0,0,0,0,0|0,0,0]=2
13  B6R0.2  CC(C)CC(N)=O M14938 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.2  CC(N)CC(=O)O M24529 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.2  CC(O)CC(=O)O M19752 [2,0,0,0,0,0|1,0,0]=3
16  B6R0.2  CN(C)CC(=O)O M17822 [2,0,0,0,0,0|1,0,0]=3
17  B6R0.2  C[C@@H](O)CC(=O)O M20064 [2,0,0,0,0,0|1,0,0]=3
18  B6R0.2  C[C@H](O)CC(=O)O M26587 [2,0,0,0,0,0|1,0,0]=3
19  B6R0.6  CC\C=C/CCO M27539 [2,0,0,0,0,0|2,0,0]=4
20  B8R0.19  COC(=O)CC(=O)OC M20375 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.23  CC(C)CC(=O)C(=O)O M19851 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.28  CC(C)CCCC(C)N M14951 [1,1,0,0,0,0|1,0,1]=4
23  B8R0.28  CC(C)CCCC(C)N M27569 [1,1,0,0,0,0|1,0,1]=4
24  B8R0.30  CCOP(=O)(O)OCC M20691 [1,1,0,0,0,0|2,0,0]=4
25  B10R0.28  CC(C)(C)OC(=O)NCCN M22435 [0,2,0,0,0,0|2,0,0]=4
26  B10R0.28  CC(C)(C)OC(=O)NCCO M26918 [0,2,0,0,0,0|2,0,0]=4
27  B10R0.2  CCOC(=O)CC(=O)OCC M20230 [0,2,0,0,0,0|1,0,1]=4
28  B8R1.4  CC1CCNC(=N)C1 M27452 [1,0,0,1,0,0|2,0,0]=4
29  B8R1.5  CC1CCCCC1=O M28092 [0,0,0,1,1,0|1,0,0]=3
30  B8R1.5  NC1CCCNC1=O M26537 [0,0,0,1,1,0|2,0,0]=4
31  B10R1.149  CCC(C)N1CCCC1=O M13774 [0,1,0,1,0,0|2,0,0]=4
32  B10R1.329  CC1=CC(=O)CC(C)(C)C1 M20356 [0,1,0,1,0,0|1,0,1]=4
33  B10R2.71  O=C1CC2CCC(C1)N2 M13768 [0,0,0,2,0,0|2,0,0]=4