0  B7R0.3  CO/C=C/C(=O)OC TN6402 [1,0,0,0,0,0|0,1,2]=4
1  B7R0.3  COC(=O)CCCN T22364 [1,0,0,0,0,0|2,0,0]=3
2  B9R0.18  OCCCC(=O)NCCO T31724 [0,1,0,0,0,0|3,0,0]=4
3  B6R0.6  CC/C=C\CCO T22295 [2,0,0,0,0,0|1,1,0]=4
4  B6R0.6  CCC/C=C/CO TN5162 [2,0,0,0,0,0|2,0,0]=4
5  B6R0.1  COC(=O)CCN T8097 [2,0,0,0,0,0|1,0,0]=3
6  B6R0.4  CCOCC(O)=O T37501 [2,0,0,0,0,0|2,0,0]=4
7  B6R0.4  COCCC(O)=O T20899 [2,0,0,0,0,0|0,1,0]=3
8  B6R0.4  CSCCC(O)=O T5285 [2,0,0,0,0,0|0,0,0]=2
9  B6R0.4  NCCCC(O)=O T0508 [2,0,0,0,0,0|2,0,0]=4
10  B6R0.4  OC(=O)CCC#C T0580 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.4  OC(=O)CCC=C T8032 [2,0,0,0,0,0|1,0,1]=4
12  B8R0.8  CSCCC(=O)C([O-])=O T33519 [1,1,0,0,0,0|1,0,1]=4
13  B8R0.9  COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|1,0,0]=3
14  B8R0.19  CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|1,0,0]=3
15  B8R0.19  COC(=O)CC(=O)OC T5695 [1,1,0,0,0,0|0,1,1]=4
16  B8R0.5  CCOC(=O)CC(C)=O T15254 [1,1,0,0,0,0|0,0,1]=3
17  B8R0.5  CCOC(=O)CC(C)O T19314 [1,1,0,0,0,0|0,0,0]=2
18  B8R0.5  CCOC(=O)CC(O)=O T4773 [1,1,0,0,0,0|0,1,1]=4
19  B8R0.5  CCOC(=O)CC([O-])=O T22328 [1,1,0,0,0,0|0,1,1]=4
20  B8R0.30  CCCS(=O)(=O)CCC T31522 [1,1,0,0,0,0|2,0,0]=4
21  B8R0.30  CCOP(O)(=O)OCC T7192 [1,1,0,0,0,0|2,0,0]=4
22  B10R0.32  CCOC(=O)[C@@H](N)CC(C)C T31711 [0,2,0,0,0,0|1,0,0]=3
23  B10R0.32  CCOC(=O)[C@@H](N)CC(C)C T31711L [0,2,0,0,0,0|1,0,0]=3
24  B10R0.3  CCCC(=O)OCCC(C)C TN6702 [0,2,0,0,0,0|2,0,0]=4
25  B10R0.91  CCCCCC(=O)CCCC T29451 [0,2,0,0,0,0|2,0,0]=4
26  B10R0.35  CCOC(=O)[C@@H](N)[C@@H](C)CC T31710 [0,2,0,0,0,0|1,0,0]=3
27  B8R1.1  CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|2,0,0]=4
28  B8R1.1  COC1CCC(=O)N1 TN4855 [1,0,0,1,0,0|1,1,0]=4
29  B8R1.1  OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|2,0,0]=4
30  B8R1.4  CC1CC=CC(=O)O1 TN3177 [1,0,0,1,0,0|0,0,2]=4
31  B8R1.4  CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4