0  B8R0.5  CCOC(=O)CC(=O)O T4773 [1,0,0,0,0,0|1,0,1]=3
1  B8R0.5  CCOC(=O)CC(=O)[O-] T22328 [1,0,0,0,0,0|1,0,2]=4
2  B7R0.2  COC(=O)CC(C)=O T4851 [2,0,0,0,0,0|0,0,2]=4
3  B7R0.10  COC(=O)[C@@H](N)CS T1547 [2,0,0,0,0,0|1,1,0]=4
4  B7R0.16  CC(C(=O)O)C(=O)O T4817 [2,0,0,0,0,0|1,0,1]=4
5  B7R0.16  CC(C)C(O)C(=O)O T5273 [2,0,0,0,0,0|2,0,0]=4
6  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [2,0,0,0,0,0|2,0,0]=4
7  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O T2O2777 [2,0,0,0,0,0|1,0,0]=3
8  B7R0.16  C[C@H](O)[C@@H](N)C(=O)O T21248 [2,0,0,0,0,0|1,0,0]=3
9  B7R0.16  C[C@H](O)[C@H](N)C(=O)O T5076 [2,0,0,0,0,0|1,0,0]=3
10  B9R0.27  O=C(CO)[C@@H](O)[C@H](O)CO TQ0190 [1,1,0,0,0,0|2,0,0]=4
11  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [1,0,0,1,0,0|2,0,0]=4
12  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [1,0,0,1,0,0|0,0,0]=2
13  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)CC1=O TN1157 [0,1,0,1,0,0|2,0,0]=4
14  B11R1.166  CC(C)[C@H]1CC[C@H](C)CC1=O TMA0087 [0,1,0,1,0,0|2,0,0]=4
15  B11R1.166  CC1CCC(C(C)C)C(=O)C1 T5660 [0,1,0,1,0,0|2,0,0]=4