0  B7R0.1  CCCCCON=O M19466 [1,0,0,0,0,0|2,0,1]=4
1  B7R0.1  CCCSSCCC M24629 [1,0,0,0,0,0|3,0,0]=4
2  B7R0.3  COC(=O)CCCN M27562 [1,0,0,0,0,0|1,0,0]=2
3  B9R0.18  O=C(CCCO)NCCO M27983 [0,1,0,0,0,0|2,0,0]=3
4  B9R1.8  CCCC1CCCCN1 M23697 [0,0,0,1,0,0|2,0,1]=4
5  B6R0.6  CCCCCCO M29392 [2,0,0,0,0,0|1,0,1]=4
6  B6R0.6  CC\C=C/CCO M27539 [2,0,0,0,0,0|1,0,1]=4
7  B6R0.6  COCCCCO M22101 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.1  COC(=O)CCN M21383 [2,0,0,0,0,0|1,0,0]=3
9  B6R0.4  C#CCCC(=O)O M15288 [2,0,0,0,0,0|0,0,2]=4
10  B6R0.4  C=CCCC(=O)O M21389 [2,0,0,0,0,0|0,0,2]=4
11  B6R0.4  CCCCC(=O)O M19748 [2,0,0,0,0,0|0,0,0]=2
12  B6R0.4  CCCCC(C)=O M20883 [2,0,0,0,0,0|0,0,0]=2
13  B6R0.4  CCOCC(=O)O M28131 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.4  CSCCC(=O)O M20021 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.4  NCCCC(=O)O M15043 [2,0,0,0,0,0|1,0,0]=3
16  B8R0.19  COC(=O)CC(=O)OC M20375 [1,1,0,0,0,0|1,0,1]=4
17  B8R0.5  CCOC(=O)CC(=O)O M19544 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.5  CCOC(=O)CC(=O)[O-] M27553 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.5  CCOC(=O)CC(C)O M27074 [1,1,0,0,0,0|0,0,0]=2
20  B8R0.30  CCOP(=O)(O)OCC M20691 [1,1,0,0,0,0|2,0,0]=4
21  B10R0.28  CC(C)(C)OC(=O)NCCN M22435 [0,2,0,0,0,0|2,0,0]=4
22  B10R0.28  CC(C)(C)OC(=O)NCCO M26918 [0,2,0,0,0,0|2,0,0]=4
23  B10R0.2  CCOC(=O)CC(=O)OCC M20230 [0,2,0,0,0,0|0,0,1]=3
24  B8R1.1  CCC1CCC(=O)O1 M21388 [1,0,0,1,0,0|1,0,0]=3
25  B8R1.4  CC1CCNC(=N)C1 M27452 [1,0,0,1,0,0|2,0,0]=4
26  B10R1.149  CCC(C)N1CCCC1=O M13774 [0,1,0,1,0,0|2,0,0]=4
27  B10R2.71  O=C1CC2CCC(C1)N2 M13768 [0,0,0,2,0,0|2,0,0]=4