0  B8R0.1  C=CCOC(=O)OCC D89384 [0,0,0,0,0,0|1,0,1]=2
1  B8R0.1  C\C=C\C(=O)CCCC T72492 [0,0,0,0,0,0|1,0,2]=3
2  B7R0.1  CC\C=C\CCC=O D90892 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.3  C=CC(=O)NCCN F11988 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.3  C=CC(=O)OCCCl F20423 [1,0,0,0,0,0|1,0,1]=3
5  B9R0.4  CCCOC(=O)CC(C)=O D88333 [0,1,0,0,0,0|0,0,3]=4
6  B9R0.8  C=CCO[C@@H](C)C(=O)OC AC9795 [0,1,0,0,0,0|2,0,1]=4
7  B9R0.18  C=CCOC(=O)NCCN H11912 [0,1,0,0,0,0|1,0,1]=3
8  B9R0.34  C\C=C\C(=O)O[C@@H](C)CC D89364 [0,1,0,0,0,0|0,0,2]=3
9  B9R0.48  C\C=C/C(=O)OCC(C)C D89387 [0,1,0,0,0,0|0,0,2]=3
10  B9R1.8  C\C=C/C1=CC=CC=C1 D91456 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.8  C\C=C\C1=CC=CC=C1 H10852 [0,0,0,1,0,0|2,0,1]=4
12  B9R1.15  COC1=CCCCC1=O F13444 [0,0,0,1,0,0|2,0,1]=4
13  B9R1.15  O=CC1=CC=CNC1=O 34796 [0,0,0,1,0,0|2,0,1]=4
14  B6R0.6  C=CCC\C=C\C T71838 [2,0,0,0,0,0|0,0,1]=3
15  B6R0.1  C=CC[C@H](O)C=C F17450 [2,0,0,0,0,0|0,0,2]=4
16  B6R0.1  CCOC(=O)C=O D78103 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.1  COC(=O)CC=O D87670 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.4  C=CCCC(=C)C D91319 [2,0,0,0,0,0|2,0,0]=4
19  B6R0.4  C=CCCC(C)=O D90803 [2,0,0,0,0,0|1,0,0]=3
20  B6R0.4  C=CCNC(N)=O D88233 [2,0,0,0,0,0|2,0,0]=4
21  B8R0.3  C=CC[C@H](N)C(=O)OC C16260 [1,1,0,0,0,0|2,0,0]=4
22  B8R0.8  C=C(C)C(=O)OCCC F18287 [1,1,0,0,0,0|0,0,2]=4
23  B8R0.5  C\C=C\C(=O)OC(C)C L10146 [1,1,0,0,0,0|0,0,1]=3
24  B10R0.57  C\C=C(\C)C(=O)OCC(C)C D88383 [0,2,0,0,0,0|0,0,2]=4
25  B8R1.2  C=C[C@@H]1CC=CCC1 D92779 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.11  CC1=C(C=O)OC=C1 AT17117 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.4  CC1=CC(=O)NC=N1 H11629 [1,0,0,1,0,0|2,0,0]=4
28  B8R1.4  CC1=CC=CC([Mg+])=C1 D87849 [1,0,0,1,0,0|1,0,1]=4
29  B10R1.130  C=CC[C@H]1CC(=O)OC1=O D88407 [0,1,0,1,0,0|2,0,0]=4