0  B8R0.7  NCCCCCC(=O)O CP03101 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.4  NCCCCC(=O)O CP04601 [1,0,0,0,0,0|3,0,0]=4
2  B9R0.1  COC(=O)CCNC(C)=O CP25740 [0,1,0,0,0,0|1,1,1]=4
3  B9R0.2  NCCCCCCC(=O)O CP03701 [0,1,0,0,0,0|3,0,0]=4
4  B9R0.4  CSCC[C@H](N)CC(=O)O CP26034 [0,1,0,0,0,0|2,0,0]=3
5  B9R0.4  CSCC[C@H](N)CC(=O)O CP27721 [0,1,0,0,0,0|2,0,0]=3
6  B9R0.47  CCCCCC(N)C(=O)O CP03601 [0,1,0,0,0,0|3,0,0]=4
7  B9R0.47  CCCCC[C@@H](N)C(=O)O CP03603 [0,1,0,0,0,0|3,0,0]=4
8  B9R0.47  CCCCC[C@H](N)C(=O)O CP03602 [0,1,0,0,0,0|3,0,0]=4
9  B9R1.41  CN1CCC[C@H]1C(=O)O CP27145 [0,0,0,1,0,0|3,0,0]=4
10  B8R0.8  CCCCC(N)C(=O)O CP08503 [1,1,0,0,0,0|2,0,0]=4
11  B8R0.8  CCCC[C@@H](N)C(=O)O CP08501 [1,1,0,0,0,0|2,0,0]=4
12  B8R0.8  CCCC[C@H](N)C(=O)O CP08502 [1,1,0,0,0,0|2,0,0]=4
13  B8R0.8  CCCC[C@H](N)C(N)=O CP27605 [1,1,0,0,0,0|2,0,0]=4
14  B8R0.8  CSCCC(N)C(=O)O CP01503 [1,1,0,0,0,0|1,0,0]=3
15  B8R0.8  CSCC[C@@H](N)C(=O)O CP01501 [1,1,0,0,0,0|1,0,0]=3
16  B8R0.8  CSCC[C@H](N)C(=O)O CP25961 [1,1,0,0,0,0|1,0,0]=3
17  B8R0.8  CSCC[C@H](N)C(N)=O CP25419 [1,1,0,0,0,0|1,0,0]=3
18  B8R1.7  O=C(O)C1CSCN1 10-101-123 [1,0,0,1,0,0|2,0,0]=4
19  B8R1.7  O=C(O)C1CSCN1 CP25782 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.7  O=C(O)[C@H]1CSCN1 CP27135 [1,0,0,1,0,0|2,0,0]=4