0  B8R0.23  CC(C)CC(=O)C(=O)O DB03229 [0,0,0,0,0,0|1,0,0]=1
1  B8R0.23  CC(C)C[C@@H](N)C(=O)O DB01746 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.23  O=C([O-])CC(=O)C(=O)O DB02637 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.5  C(C)=CC(=O)C(=O)O DB02005 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.5  CCC[C@H](N)C(=O)O DB04185 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.6  CC(C)CCC(=O)O DB03993 [1,0,0,0,0,0|1,0,1]=3
6  B9R0.11  CC(C)C[C@](C)(N)C(=O)O DB04063 [0,1,0,0,0,0|2,0,1]=4
7  B9R0.23  CC(C)C[C@H](N)C(=O)NO DB03308 [0,1,0,0,0,0|2,0,1]=4
8  B9R0.39  CN[C@H](CC(C)C)C(=O)O DB04487 [0,1,0,0,0,0|2,0,1]=4
9  B9R0.39  [C@H](CS)(CC(C)C)C(=O)O DB02996 [0,1,0,0,0,0|1,1,1]=4
10  B9R0.42  C[C@H](CF)C[C@H](N)C(=O)O DB02542 [0,1,0,0,0,0|2,0,1]=4
11  B9R0.79  CC(C)N(O)C(=O)C(=O)O DB03387 [0,1,0,0,0,0|2,0,0]=3
12  B9R0.79  CC(C)[C@H](O)[C@H](N)C(=O)O DB02978 [0,1,0,0,0,0|2,0,1]=4
13  B7R0.16  CC(C)C(=O)C(=O)O DB04074 [0,0,0,0,1,0|1,0,0]=2
14  B6R0.1  CCNC(=O)OC DB03919 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.1  CCOC(=O)NC DB02856 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.2  CC(C)CC(=O)O DB03750 [2,0,0,0,0,0|0,0,1]=3
17  B6R0.2  CC(C)C[C@@H](C)N DB02107 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.2  CN(C)CC(=O)O DB02083 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.4  CCCCC(=O)O DB02406 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.4  CCCOC(C)=O DB01670 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.3  CCC(=O)C(=O)O DB04553 [2,0,0,0,0,0|1,0,0]=3
22  B6R0.3  O=C(O)C(=O)CO DB02951 [2,0,0,0,0,0|2,0,0]=4
23  B8R0.2  CC(C)[C@@H](N)C(=O)NO DB02697 [1,1,0,0,0,0|1,0,1]=4
24  B8R0.8  CSCCC(=O)C(=O)O DB02238 [1,1,0,0,0,0|1,0,0]=3
25  B8R1.4  C[C@H]1CC=CC(=O)O1 DB14121 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.40  [C@@H](C)(C=O)CC1CC1 DB03736 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.7  O=C([O-])C1=[NH+]CCC1 DB02838 [1,0,0,1,0,0|2,0,0]=4
28  B10R1.113  CC(=O)N1CCC[C@@H](C)C1 DB01742 [0,1,0,1,0,0|2,0,0]=4