0  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,0,0,0,0,0|1,0,0]=1
1  B8R0.23  CC(C)CC(N)C(=O)O T4772 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [0,0,0,0,0,0|2,0,1]=3
3  B8R0.23  CC(C)C[C@H](O)C(=O)O T5294 [0,0,0,0,0,0|1,0,2]=3
4  B8R0.23  O=C(O)CC(=O)C(=O)O T4862 [0,0,0,0,0,0|3,0,1]=4
5  B7R0.2  COC(=O)CC(C)=O T4851 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.5  CCCC(=O)C(=O)O T13484 [1,0,0,0,0,0|1,0,0]=2
7  B7R0.5  CCCC(C)C(=O)O T5685 [1,0,0,0,0,0|2,0,1]=4
8  B7R0.5  CCCC(N)C(=O)O T11054 [1,0,0,0,0,0|2,0,1]=4
9  B7R0.5  CCC[C@H](N)C(=O)O T4788 [1,0,0,0,0,0|2,0,1]=4
10  B7R0.16  CC(C)C(=O)C(=O)O T5232 [0,0,0,0,1,0|1,0,0]=2
11  B7R0.16  CC(C)C(O)C(=O)O T5273 [0,0,0,0,1,0|1,0,2]=4
12  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [0,0,0,0,1,0|2,0,1]=4
13  B6R0.1  COC(=O)CCN T8097 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.2  CC(C)CC(=O)O T5609 [2,0,0,0,0,0|0,0,1]=3
15  B6R0.2  CC(C)CC(N)=O T0361 [2,0,0,0,0,0|1,0,0]=3
16  B6R0.2  CC(O)CC(=O)O T4947 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.2  CN(C)CC(=O)O T4120 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.2  C[C@@H](O)CC(=O)O T5248 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.2  C[C@H](O)CC(=O)O T13979 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.3  CCC(=O)C(=O)O T5060 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.3  O=C(O)C(=O)CBr T5882 [2,0,0,0,0,0|2,0,0]=4
22  B10R1.329  CC1=CC(=O)CC(C)(C)C1 T5671 [0,0,0,1,0,1|1,0,0]=3
23  B10R1.271  CN1C(=O)OC(C)(C)C1=O T0283 [0,1,0,1,0,0|2,0,0]=4