0  B9R0.39  CC(C)C[C@@H](CN)C(=O)O 31361 [0,0,0,0,0,0|3,0,1]=4
1  B9R0.39  CC(C)C[C@@H](CN)C(=O)O 31362 [0,0,0,0,0,0|3,0,1]=4
2  B9R0.39  CC(C)C[C@@H](CN)C(=O)O 32003 [0,0,0,0,0,0|3,0,1]=4
3  B9R0.39  CC(C)C[C@@H](CN)C(=O)O F15243 [0,0,0,0,0,0|3,0,1]=4
4  B10R0.23  CCC[C@@H](CC(=O)O)C(=O)O D93521 [0,1,0,0,0,0|3,0,0]=4
5  B10R1.442  O=C(O)CC1(C(=O)O)CC1 AT13570 [0,0,0,1,0,0|3,0,0]=4
6  B7R0.15  CN[C@@H](CS)C(=O)O AC8363 [2,0,0,0,0,0|0,0,0]=2
7  B9R1.35  C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [1,0,0,1,0,0|1,0,1]=4
8  B9R1.35  O=C1CC[C@@H](C(=O)O)S1 P12403 [1,0,0,1,0,0|2,0,0]=4
9  B9R1.41  C[C@H]1CCN[C@@H]1C(=O)O D74783 [1,0,0,1,0,0|1,0,1]=4
10  B9R1.41  N[C@@H]1CCN[C@@H]1C(=O)O 51134 [1,0,0,1,0,0|1,0,1]=4
11  B9R1.41  O=C(O)[C@H]1NCC[C@@H]1F P19512 [1,0,0,1,0,0|1,0,1]=4
12  B9R1.41  O=C(O)[C@H]1NCC[C@@H]1O P12195 [1,0,0,1,0,0|0,1,1]=4
13  B9R1.41  O=C(O)[C@H]1NCC[C@H]1F D76328 [1,0,0,1,0,0|1,0,1]=4
14  B9R1.41  O=C(O)[C@H]1NCC[C@H]1F P21065 [1,0,0,1,0,0|1,0,1]=4
15  B9R1.41  O=C(O)[C@H]1NCC[C@H]1O P19954 [1,0,0,1,0,0|0,1,1]=4
16  B9R1.2  O=C1COC[C@H](CO)N1 AT10102 [1,0,0,1,0,0|0,1,1]=4
17  B9R1.69  C[C@@H]1OC(=O)COC1=O D75679 [1,0,0,1,0,0|1,0,0]=3
18  B11R1.166  C[C@H]1CC(=O)CC[C@@H]1C(=O)O P18309 [0,0,0,1,0,1|2,0,0]=4
19  B11R1.23  COC(=O)[C@@H]1COCC(=O)C1 P17472 [0,1,0,1,0,0|1,1,0]=4
20  B11R1.489  CC1(C)CC(=O)N[C@@H]1C(=O)O P20918 [0,1,0,1,0,0|1,0,0]=3