0  B7R0.4  CCCCCC(C)N M10956 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.4  CCCCCC(C)O M28052 [0,0,0,0,0,0|3,0,1]=4
2  B6R0.6  CCCCCCO M29392 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.6  CCCCN=C=S M24585 [1,0,0,0,0,0|1,1,1]=4
4  B6R0.6  CCC\C=C\C=O M21392 [1,0,0,0,0,0|1,0,1]=3
5  B8R0.28  CC(=O)CCC=C(C)C M29386 [0,1,0,0,0,0|1,0,2]=4
6  B8R0.28  CC(C)CCCC(C)N M14951 [0,1,0,0,0,0|2,0,1]=4
7  B8R0.28  CC(C)CCCC(C)N M27569 [0,1,0,0,0,0|2,0,1]=4
8  B8R1.4  CC1CCNC(=N)C1 M27452 [0,0,0,1,0,0|2,0,0]=3
9  B8R1.19  CC1(C)CCC=[N+]1[O-] M27624 [0,0,0,1,0,0|2,0,1]=4
10  B5R0.1  CC(C)=CCO M19629 [2,0,0,0,0,0|0,0,2]=4
11  B5R0.1  CC(C)\C=N\O M19919 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.1  C[C@H](O)CCO M23286 [2,0,0,0,0,0|1,0,0]=3
13  B7R0.2  CC(C)C[C@H](N)CO M20355 [1,1,0,0,0,0|0,0,2]=4
14  B7R0.6  CC(=O)CCC(=O)O M20243 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.6  CC(C)CCC(=O)O M27056 [1,1,0,0,0,0|0,0,0]=2
16  B7R0.1  CCCCCON=O M19466 [1,1,0,0,0,0|1,0,0]=3
17  B9R0.7  C[S+](C)CCC(N)C(=O)O M21253 [0,2,0,0,0,0|2,0,0]=4
18  B9R0.56  CC(=O)OCC[N+](C)(C)C M15250 [0,2,0,0,0,0|1,0,0]=3
19  B9R0.56  CC(=O)OCC[N+](C)(C)C M18267 [0,2,0,0,0,0|1,0,0]=3
20  B9R0.56  CC(=O)OCC[N+](C)(C)C M27252 [0,2,0,0,0,0|1,0,0]=3
21  B9R0.56  C[N+](C)(C)CCCC(=O)O M19648 [0,2,0,0,0,0|2,0,0]=4
22  B9R0.56  C[N+](C)(C)CCOC(N)=O M14811 [0,2,0,0,0,0|1,0,0]=3
23  B7R1.4  C=C1CCOC1=O M20080 [1,0,0,1,0,0|0,0,2]=4
24  B7R1.4  CC1OCCC1=O M21390 [1,0,0,1,0,0|2,0,0]=4
25  B7R1.4  CN1CCCC1=O M28477 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.4  NC1CCSC1=O M20597 [1,0,0,1,0,0|1,1,0]=4
27  B7R1.4  NN1CCOC1=O M28617 [1,0,0,1,0,0|2,0,0]=4
28  B9R1.66  CC1(O)CCOC(=O)C1 M15570 [0,1,0,1,0,0|0,0,0]=2
29  B9R1.138  CC1(C)COC(=O)C1=O M27274 [0,1,0,1,0,0|2,0,0]=4