0  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [1,0,0,0,0,0|0,0,2]=3
1  B8R0.23  CC(C)CC(N)C(=O)O T4772 [1,0,0,0,0,0|1,0,0]=2
2  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [1,0,0,0,0,0|1,0,0]=2
3  B8R0.23  CC(C)C[C@H](O)C(=O)O T5294 [1,0,0,0,0,0|0,0,0]=1
4  B8R0.23  O=C(O)CC(O)C(=O)O T2S0850 [1,0,0,0,0,0|2,0,1]=4
5  B8R0.23  O=C(O)C[C@H](O)C(=O)O T4838 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.3  COC(=O)CCCN T22364 [2,0,0,0,0,0|1,0,0]=3
7  B7R0.5  CCCC(=O)C(=O)O T13484 [2,0,0,0,0,0|0,0,2]=4
8  B7R0.5  CCCC(C)C(=O)O T5685 [2,0,0,0,0,0|1,0,0]=3
9  B7R0.5  CCCC(N)C(=O)O T11054 [2,0,0,0,0,0|1,0,0]=3
10  B7R0.5  CCC[C@H](N)C(=O)O T4788 [2,0,0,0,0,0|1,0,0]=3
11  B7R0.5  CNC[C@H](N)C(=O)O T22911 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.5  CSC[C@H](N)C(=O)O T8072 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.5  NC(CCS)C(=O)O T4863 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.5  NCC[C@H](N)C(=O)O T7595 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.5  N[C@@H](CCO)C(=O)O T4757 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.10  COC(=O)[C@@H](N)CS T1547 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.2  CC(C)C[C@H](N)CO T5652 [2,0,0,0,0,0|1,0,1]=4
18  B7R0.6  CC(=O)CCC(=O)O T5551 [2,0,0,0,0,0|1,0,1]=4
19  B9R0.24  COC(=O)CCC(=O)CN T5002 [1,1,0,0,0,0|1,0,1]=4
20  B9R0.24  COC(=O)CCC(=O)OC T5696 [1,1,0,0,0,0|1,0,1]=4
21  B9R0.79  CC(O)[C@H](C)[C@H](N)C(=O)O T7448 [1,1,0,0,0,0|2,0,0]=4
22  B9R0.79  C[C@H](O)[C@H](C)[C@H](N)C(=O)O T2P2919 [1,1,0,0,0,0|2,0,0]=4
23  B7R0.16  CC(C)C(=O)C(=O)O T5232 [1,0,0,0,1,0|0,0,2]=4
24  B7R0.16  CC(C)C(O)C(=O)O T5273 [1,0,0,0,1,0|0,0,0]=2
25  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [1,0,0,0,1,0|1,0,0]=3
26  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O T2O2777 [1,0,0,0,1,0|2,0,0]=4
27  B7R0.16  C[C@H](O)[C@@H](N)C(=O)O T21248 [1,0,0,0,1,0|2,0,0]=4
28  B7R0.16  C[C@H](O)[C@H](N)C(=O)O T5076 [1,0,0,0,1,0|2,0,0]=4