0  B7R0.3  COC(=O)CCCN T22364 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.1  COC(=O)CCN T8097 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.4  C#CCCC(=O)O T0580 [1,0,0,0,0,0|0,0,2]=3
3  B6R0.4  C#CCCC(=O)[O-] T13893 [1,0,0,0,0,0|0,0,3]=4
4  B6R0.4  CSCCC(=O)O T5285 [1,0,0,0,0,0|1,0,0]=2
5  B6R0.4  NCCCC(=O)O T0508 [1,0,0,0,0,0|1,0,0]=2
6  B6R0.4  NC\C=C\C(=O)O T23414 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.4  O=C(O)\C=C\CO T23473 [1,0,0,0,0,0|1,0,2]=4
8  B6R0.4  O=CNCC(=O)O T4741 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.6  CC\C=C/CCO T22295 [1,0,0,0,0,0|2,0,1]=4
10  B6R0.6  COCCCCO T7022 [1,0,0,0,0,0|1,0,1]=3
11  B8R0.6  CCCCCC(O)CC TN1267 [0,1,0,0,0,0|1,0,2]=4
12  B8R0.19  COC(=O)CC(=O)OC T5695 [0,1,0,0,0,0|1,0,1]=3
13  B8R0.25  CCP(=O)(O)CCCN T22647 [0,1,0,0,0,0|3,0,0]=4
14  B5R0.1  CCCC(=O)[O-] T1393 [2,0,0,0,0,0|0,0,1]=3
15  B5R0.1  CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  CNCC(=O)O T6975 [2,0,0,0,0,0|1,0,0]=3
17  B5R0.1  C\C=C\C(=O)O T5301 [2,0,0,0,0,0|0,0,2]=4
18  B5R0.1  NCCC(=O)O T0627 [2,0,0,0,0,0|1,0,0]=3
19  B5R0.1  NCCS(=O)O T5225 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.1  NOCC(=O)O T5880 [2,0,0,0,0,0|2,0,0]=4
21  B7R0.2  CC(=O)CC(=O)O[Na] T13528 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.2  COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|0,0,1]=3
23  B7R0.5  CCCC(=O)C(=O)O T13484 [1,1,0,0,0,0|2,0,0]=4
24  B7R0.10  COC(=O)[C@@H](N)CS T1547 [1,1,0,0,0,0|1,0,0]=3
25  B7R0.4  CCCCCC(C)N T0359 [1,1,0,0,0,0|1,0,1]=4
26  B7R0.4  NCCCCC(=O)O T5089 [1,1,0,0,0,0|0,0,0]=2
27  B7R0.6  CC(=O)CCC(=O)O T5551 [1,1,0,0,0,0|0,0,1]=3
28  B7R0.6  CC(=O)NCC(=O)O T4822 [1,1,0,0,0,0|1,0,1]=4
29  B7R0.6  O=C(O)CCC(=O)O T2719 [1,1,0,0,0,0|1,0,1]=4
30  B7R0.6  O=C(O)CC[N+](=O)[O-] T3009 [1,1,0,0,0,0|2,0,0]=4
31  B7R0.8  C[P@@](=O)(O)CCCN T23368 [1,1,0,0,0,0|2,0,0]=4
32  B7R0.8  NCCCS(=O)(=O)O T0883 [1,1,0,0,0,0|2,0,0]=4
33  B9R0.1  COC(=O)CCCC(=O)O T4764 [0,2,0,0,0,0|0,0,1]=3
34  B9R0.24  COC(=O)CCC(=O)CN T5002 [0,2,0,0,0,0|0,0,1]=3
35  B9R0.24  COC(=O)CCC(=O)OC T5696 [0,2,0,0,0,0|0,0,1]=3
36  B7R1.3  O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,0]=2
37  B7R1.18  O=C(O)C1CCN1 T8100 [1,0,0,1,0,0|1,0,0]=3