0  B6R1.2  O=C1CCCO1 YMDB01418 [1,0,0,0,0,0|0,0,1]=2
1  B8R1.1  CC1=CC=C(C=O)O1 YMDB01435 [0,1,0,0,0,0|1,0,2]=4
2  B8R1.1  CCC1CCC(=O)O1 YMDB01618 [0,1,0,0,0,0|1,0,1]=3
3  B8R1.50  CC1=C(O)C(=O)CC1 YMDB01663 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.1  CCOC(=O)CC YMDB01331 [0,0,1,0,0,0|1,0,1]=3
5  B6R0.2  NC(=O)NC(=O)O YMDB00124 [0,0,1,0,0,0|3,0,0]=4
6  B6R0.2  O=C(O)CC(=O)O YMDB01566 [0,0,1,0,0,0|3,0,0]=4
7  B6R0.4  CCCCC(=O)O YMDB01484 [0,0,1,0,0,0|1,0,1]=3
8  B6R0.4  NCCCC(=O)O YMDB00335 [0,0,1,0,0,0|1,0,1]=3
9  B6R0.4  O=CCCC(=O)O YMDB00236 [0,0,1,0,0,0|0,0,0]=1
10  B8R1.3  O=C1C=CC(=O)C=C1 YMDB00155 [0,0,0,0,0,1|1,0,2]=4
11  B8R1.4  O=C1C=CNC(=O)N1 YMDB00098 [0,0,0,0,0,1|1,0,2]=4
12  B5R0.1  CCCC(=O)O YMDB01392 [1,0,1,0,0,0|0,0,1]=3
13  B5R0.1  CCOC(C)=O YMDB00569 [1,0,1,0,0,0|0,0,1]=3
14  B5R0.1  NCCC(=O)O YMDB00195 [1,0,1,0,0,0|1,0,0]=3
15  B5R0.2  CSCCC=O YMDB01466 [1,0,1,0,0,0|2,0,0]=4
16  B5R0.2  NCCCC=O YMDB00587 [1,0,1,0,0,0|1,0,1]=4
17  B5R0.3  CCC(C)C=O YMDB00485 [1,0,1,0,0,0|1,0,1]=4
18  B7R0.5  CCOC(=O)C(C)O YMDB01429 [0,1,1,0,0,0|1,0,1]=4
19  B7R0.7  CCCC(=O)OCC YMDB01385 [0,1,1,0,0,0|1,0,1]=4
20  B7R0.16  CC(=O)[C@H](N)C(=O)O YMDB00695 [0,1,1,0,0,0|2,0,0]=4
21  B7R0.4  CC(=O)NCCC=O YMDB00315 [0,1,1,0,0,0|1,0,0]=3
22  B7R0.4  CCCCCC(=O)O YMDB01424 [0,1,1,0,0,0|1,0,1]=4
23  B7R0.6  O=C(O)CCC(=O)O YMDB00338 [0,1,1,0,0,0|0,0,0]=2
24  B7R0.6  O=C(O)\C=C\C(=O)O YMDB00101 [0,1,1,0,0,0|0,0,2]=4
25  B7R1.1  O=CC1=CC=CO1 YMDB01459 [1,1,0,0,0,0|0,0,2]=4
26  B7R1.4  CC1SCCC1=O YMDB01467 [1,1,0,0,0,0|2,0,0]=4
27  B9R1.3  CC1=C(O)C(=O)CCO1 YMDB01673 [0,1,0,0,0,1|2,0,0]=4
28  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 YMDB00107 [0,2,0,0,0,0|1,0,1]=4
29  B5R0.5  CC(=O)C(=O)O YMDB00175 [0,0,1,0,1,0|1,0,0]=3
30  B5R0.5  CC(=O)C(C)=O YMDB00367 [0,0,1,0,1,0|0,0,0]=2
31  B5R0.5  CC(=O)[C@@H](C)O YMDB00410 [0,0,1,0,1,0|0,0,2]=4