0  B7R0.9  CC(=O)CC(C)(C)S YMDB01415 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.9  C[N+](C)(C)CC(=O)[O-] YMDB01516 [0,0,0,0,0,0|0,0,0]=0
2  B6R0.2  CC(C)CC(=O)O YMDB01606 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.2  CC(O)CC(=O)O YMDB01561 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.5  C[N+](C)(C)CCO YMDB00227 [1,0,0,0,0,0|0,0,2]=3
5  B8R0.27  CC(C)(O)[C@@H](O)C(=O)O YMDB00063 [0,1,0,0,0,0|2,0,1]=4
6  B8R0.27  CC(C)(O)[C@@H](O)C(=O)[O-] YMDB01070 [0,1,0,0,0,0|2,0,0]=3
7  B5R0.1  CC(C)CC=O YMDB00499 [2,0,0,0,0,0|1,0,0]=3
8  B5R0.1  CCCC(=O)O YMDB01392 [2,0,0,0,0,0|1,0,1]=4
9  B5R0.1  CCCC([O-])=S YMDB01781 [2,0,0,0,0,0|1,1,0]=4
10  B7R0.16  CC(C)C(O)C(=O)O YMDB01318 [1,1,0,0,0,0|1,0,1]=4
11  B7R0.16  CC(C)[C@@H](N)C(=O)O YMDB01000 [1,1,0,0,0,0|1,0,1]=4
12  B7R0.16  CC(C)[C@H](N)C(=O)O YMDB00152 [1,1,0,0,0,0|1,0,1]=4
13  B9R0.32  CC(C)(CO)[C@@H](O)C(=O)O YMDB00376 [0,2,0,0,0,0|1,0,1]=4
14  B9R0.32  CC[C@@](C)(O)[C@@H](O)C(=O)[O-] YMDB01091 [0,2,0,0,0,0|2,0,0]=4
15  B9R1.138  CC1(C)COC(=O)[C@@H]1O YMDB00796 [0,1,0,1,0,0|1,0,1]=4
16  B5R0.5  CC(C)C(=O)O YMDB01320 [1,0,0,0,1,0|1,0,1]=4
17  B7R0.6  CC(=O)OCC(C)C YMDB00572 [1,0,0,0,0,1|2,0,0]=4
18  B7R0.6  CC(=O)OCC(C)C YMDB01589 [1,0,0,0,0,1|2,0,0]=4