0  B7R0.10  COC(=O)[C@@H](N)CS T1547 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.1  COC(=O)CCN T8097 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.3  CC(=O)\C(C)=N\O T2176 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.3  CCC(=O)C(=O)O T5060 [1,0,0,0,0,0|1,0,0]=2
4  B6R0.3  CCC(O)C(=O)[O-] T4738 [1,0,0,0,0,0|1,0,2]=4
5  B6R0.3  CC[C@@H](N)C(=O)O T19302 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  CC[C@H](N)C(=O)O T5306 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.3  C\C=C(/C)C(=O)O T5542 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.3  C\C=C(\C)C(=O)O T3328 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.3  O=C(O)C(=O)CBr T5882 [1,0,0,0,0,0|2,0,0]=3
10  B8R1.11  CCN1CCCC1=O T13823 [0,0,0,1,0,0|2,0,0]=3
11  B8R1.50  N[C@H]1CCN(O)C1=O T23298 [0,0,0,1,0,0|2,0,1]=4
12  B8R0.19  COC(=O)CC(=O)OC T5695 [0,0,0,0,0,1|2,0,0]=3
13  B5R0.1  CC(C)=CCO T4747 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  CCCC(=O)[O-] T1393 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.1  CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  C\C=C\C(=O)O T5301 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.3  CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,1]=4
18  B5R0.5  CC(=O)C(=O)O T4804 [2,0,0,0,0,0|1,0,0]=3
19  B5R0.5  CC(=O)C(=O)[O-] T7717 [2,0,0,0,0,0|1,0,0]=3
20  B5R0.5  O=C(O)C(=O)O T2O2680 [2,0,0,0,0,0|2,0,0]=4
21  B5R0.5  O=C(O)C(=O)O T5064 [2,0,0,0,0,0|2,0,0]=4
22  B7R0.3  COC(=O)CCCN T22364 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.16  CC(C)C(=O)C(=O)O T5232 [1,1,0,0,0,0|1,0,0]=3
24  B7R1.3  O=C1CCCCO1 T4821 [1,0,0,1,0,0|1,0,0]=3
25  B7R1.4  NC1CCSC1=O T5968 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.4  N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|2,0,0]=4
27  B9R1.69  CC1CNC(=O)NC1=O T0532 [0,0,0,1,0,1|1,0,0]=3
28  B9R0.24  COC(=O)CCC(=O)CN T5002 [0,0,0,0,0,2|2,0,0]=4
29  B9R0.24  COC(=O)CCC(=O)OC T5696 [0,0,0,0,0,2|2,0,0]=4
30  B9R0.24  COC(=O)\C=C\C(=O)OC T0492 [0,0,0,0,0,2|2,0,0]=4