0  B7R0.5  CCC[C@H](N)C(=O)O T4788 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.3  CCC(=O)C(=O)O T5060 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.3  CCC(O)C(=O)[O-] T4738 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.3  C\C=C(\C)C(=O)O T3328 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.4  CCCCC(=O)O T4792 [1,0,0,0,0,0|2,0,1]=4
5  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,0,0|2,0,0]=3
6  B8R0.5  CCOC(=O)CC(=O)O T4773 [0,0,0,0,0,1|1,0,0]=2
7  B5R0.1  CC(C)=CCO T4747 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.1  CCCC(=O)O T3943 [2,0,0,0,0,0|1,0,1]=4
9  B5R0.3  CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.5  CC(=O)C(=O)O T4804 [2,0,0,0,0,0|0,0,0]=2
11  B5R0.5  CC(=O)C(C)=O T4774 [2,0,0,0,0,0|0,0,0]=2
12  B5R0.5  CC(C)C(=O)O T4769 [2,0,0,0,0,0|1,0,1]=4
13  B5R0.5  C[C@@H](N)C(=O)O T4811 [2,0,0,0,0,0|1,0,1]=4
14  B5R0.5  C[C@H](N)C(=O)O TJO2729 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.5  C[C@H](O)C(=O)O T4845 [2,0,0,0,0,0|0,0,2]=4
16  B5R0.5  O=C(O)C(=O)O T2O2680 [2,0,0,0,0,0|1,0,0]=3
17  B5R0.5  O=C(O)C(=O)O T5064 [2,0,0,0,0,0|1,0,0]=3
18  B7R1.3  O=C1C=CCCN1 BBP02874 [1,0,0,1,0,0|1,0,1]=4
19  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,1|0,0,2]=4
20  B9R1.106  C[C@]1(O)C(=O)OC[C@H]1O BBP02574 [0,1,0,1,0,0|0,0,2]=4