0  B5R0.5  CC(=O)C(C)=O YMDB00367 [0,0,0,0,0,0|0,2,2]=4
1  B5R0.5  CC(=O)[C@@H](C)O YMDB00410 [0,0,0,0,0,0|0,2,1]=3
2  B5R0.5  CC(C)C(=O)O YMDB01320 [0,0,0,0,0,0|2,1,1]=4
3  B5R0.5  CC(C)C(C)O YMDB01346 [0,0,0,0,0,0|1,1,0]=2
4  B5R0.5  CC(O)C(C)O YMDB01407 [0,0,0,0,0,0|0,2,0]=2
5  B5R0.5  C[C@@H](N)C(=O)O YMDB00993 [0,0,0,0,0,0|2,1,1]=4
6  B5R0.5  C[C@@H](O)C(=O)O YMDB00287 [0,0,0,0,0,0|1,2,1]=4
7  B5R0.5  C[C@@H](O)[C@@H](C)O YMDB00413 [0,0,0,0,0,0|0,2,0]=2
8  B5R0.5  C[C@H](N)C(=O)O YMDB00154 [0,0,0,0,0,0|2,1,1]=4
9  B5R0.5  C[C@H](O)C(=O)O YMDB00247 [0,0,0,0,0,0|1,2,1]=4
10  B4R0.1  CC(=O)CN YMDB00892 [1,0,0,0,0,0|1,1,1]=4
11  B4R0.1  CC(C)C=O YMDB00482 [1,0,0,0,0,0|1,1,1]=4
12  B4R0.1  CC(C)CO YMDB00573 [1,0,0,0,0,0|1,1,0]=3
13  B4R0.1  CC(O)CO YMDB01405 [1,0,0,0,0,0|0,2,0]=3
14  B4R0.1  CCC(=O)O YMDB00857 [1,0,0,0,0,0|1,1,1]=4
15  B4R0.1  C[C@@H](O)C=O YMDB00111 [1,0,0,0,0,0|0,2,1]=4
16  B4R0.1  C[C@H](O)C=O YMDB00167 [1,0,0,0,0,0|0,2,1]=4
17  B6R0.3  COC(=O)C(C)C YMDB01748 [0,1,0,0,0,0|1,1,1]=4
18  B6R0.7  CC(O)C(C)(C)C YMDB01341 [0,1,0,0,0,0|1,1,0]=3
19  B6R0.2  CC(C)SC(C)C YMDB01478 [0,0,0,0,0,1|2,0,0]=3
20  B3R0.1  CCC=O YMDB00911 [2,0,0,0,0,0|0,1,1]=4
21  B3R0.1  CCCO YMDB01395 [2,0,0,0,0,0|0,1,0]=3
22  B3R0.1  NCCO YMDB00009 [2,0,0,0,0,0|1,1,0]=4
23  B3R0.1  OCCO YMDB01564 [2,0,0,0,0,0|0,2,0]=4
24  B3R0.2  CC(C)O YMDB01718 [2,0,0,0,0,0|0,1,0]=3
25  B5R0.1  CC(C)=CCS YMDB01604 [1,1,0,0,0,0|1,0,1]=4
26  B5R0.1  CC(C)CC=O YMDB00499 [1,1,0,0,0,0|1,0,1]=4
27  B5R0.1  CC(C)CCO YMDB00570 [1,1,0,0,0,0|1,0,0]=3
28  B5R0.1  CCOC(C)=O YMDB00569 [1,1,0,0,0,0|0,1,1]=4
29  B5R0.3  CCC(C)C=O YMDB00485 [1,1,0,0,0,0|0,1,0]=3
30  B5R0.3  CCC(C)CO YMDB00567 [1,1,0,0,0,0|0,1,0]=3
31  B5R0.3  CCC(O)CO YMDB02307 [1,1,0,0,0,0|0,1,0]=3
32  B5R0.3  OCC(O)CO YMDB00283 [1,1,0,0,0,0|0,2,0]=4
33  B7R0.9  CC(=O)CC(C)(C)S YMDB01415 [0,1,0,0,0,1|0,1,1]=4
34  B7R0.16  CC(C)C(C)C(C)C YMDB01344 [0,1,0,0,0,1|2,0,0]=4
35  B7R1.2  C[C@@H]1SS[C@H](C)S1 YMDB01456 [0,0,0,1,0,1|0,0,0]=2
36  B7R1.4  CC1SCCC1=O YMDB01467 [0,1,0,1,0,0|0,1,1]=4