0  B7R0.3  COC(=O)CCCN T22364 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.1  COC(=O)CCN T8097 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.1  NCC(=O)O[Ru]Cl T6454 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.4  CSCCC(=O)O T5285 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.4  NCCCC(=O)O T0508 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.6  CC\C=C/CCO T22295 [1,0,0,0,0,0|2,0,0]=3
6  B8R0.6  CCCCCC(O)CC TN1267 [0,1,0,0,0,0|1,0,2]=4
7  B8R0.25  CCP(=O)(O)CCCN T22647 [0,1,0,0,0,0|3,0,0]=4
8  B5R0.1  CCCC(=O)[O-] T1393 [2,0,0,0,0,0|1,0,0]=3
9  B5R0.1  CCOC(N)=O T0051 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.1  CNCC(=O)O T6975 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.1  NCCC(=O)O T0627 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.2  COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4
13  B7R0.5  CCCC(=O)C(=O)O T13484 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.10  COC(=O)[C@@H](N)CS T1547 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.4  NCCCCC(=O)O T5089 [1,1,0,0,0,0|2,0,0]=4
16  B7R1.3  NN1CCCCC1 T0533 [1,0,0,1,0,0|2,0,0]=4
17  B7R1.3  O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,0]=2
18  B7R1.4  C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,2]=4
19  B7R1.4  NC1CCSC1=O T5968 [1,0,0,1,0,0|1,1,0]=4
20  B7R1.4  N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|1,1,0]=4
21  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,1,0,0|1,0,0]=3