0  B7R0.5  C(C)=CC(=O)C(=O)O DB02005 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.5  CCC[C@H](N)C(=O)O DB04185 [0,0,0,0,0,0|3,0,1]=4
2  B6R0.1  CCNC(=O)OC DB03919 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.1  CCOC(=O)NC DB02856 [1,0,0,0,0,0|1,0,0]=2
4  B6R0.3  C=C(NC)C(=O)O DB03920 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.3  CCC(=O)C(=O)O DB04553 [1,0,0,0,0,0|1,0,0]=2
6  B6R0.3  CC[C@@H](C)C(=O)O DB03741 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.3  CC[C@@H](N)C(=O)O DB04454 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.3  C\C=C(/N)C(=O)O DB03720 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.3  O=C(O)C(=O)CO DB02951 [1,0,0,0,0,0|2,0,0]=3
10  B6R0.4  CCCCC(=O)O DB02406 [1,0,0,0,0,0|2,0,1]=4
11  B6R0.4  CCCOC(C)=O DB01670 [1,0,0,0,0,0|2,0,0]=3
12  B8R0.8  CSCCC(=O)C(=O)O DB02238 [0,1,0,0,0,0|2,0,0]=3
13  B8R0.23  CC(C)CC(=O)C(=O)O DB03229 [0,1,0,0,0,0|2,0,0]=3
14  B8R1.7  O=C(O)[C@H]1CCCO1 DB03051 [0,0,0,1,0,0|2,0,1]=4
15  B8R1.7  O=C([O-])C1=[NH+]CCC1 DB02838 [0,0,0,1,0,0|3,0,0]=4
16  B5R0.1  CC(=O)CCO DB04094 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.1  CCCC(=O)O DB03568 [2,0,0,0,0,0|1,0,1]=4
18  B5R0.1  CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,1]=4
19  B5R0.1  C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|1,0,1]=4
20  B5R0.2  CCCCC=O DB01919 [2,0,0,0,0,0|1,0,1]=4
21  B5R0.5  C=C(N)C(=O)O DB02688 [2,0,0,0,0,0|1,0,1]=4
22  B5R0.5  CC(=O)C(N)=O DB03578 [2,0,0,0,0,0|1,0,0]=3
23  B5R0.5  CC(=O)[C@@H](C)O DB04364 [2,0,0,0,0,0|0,0,2]=4
24  B5R0.5  CC(=O)[C@H](C)O DB02788 [2,0,0,0,0,0|0,0,2]=4
25  B5R0.5  CC(=[NH2+])C(=O)[O-] DB04212 [2,0,0,0,0,0|1,0,1]=4
26  B5R0.5  CC(C)C(=O)O DB02531 [2,0,0,0,0,0|1,0,1]=4
27  B5R0.5  C[C@@H](N)C(=O)O DB01786 [2,0,0,0,0,0|1,0,1]=4
28  B5R0.5  C[C@@H](O)C(=O)O DB03066 [2,0,0,0,0,0|0,0,2]=4
29  B5R0.5  NC(=O)C(=O)O DB03940 [2,0,0,0,0,0|1,0,0]=3
30  B5R0.5  O=C(O)C(=O)O DB03902 [2,0,0,0,0,0|1,0,0]=3
31  B7R0.7  CCO[PH](=O)OCC DB02811 [1,1,0,0,0,0|1,0,1]=4
32  B7R0.16  CC(C)C(=O)C(=O)O DB04074 [1,1,0,0,0,0|1,0,0]=3
33  B9R0.79  CC(C)N(O)C(=O)C(=O)O DB03387 [0,2,0,0,0,0|2,0,0]=4
34  B7R1.3  O=C1CCCCC1 DB02060 [1,0,0,1,0,0|1,0,1]=4
35  B7R1.4  N[C@@H]1CCOC1=O DB02624 [1,0,0,1,0,0|1,0,1]=4