0  B9R0.7  CC(C)C(=O)NCC(=O)O HY-W141928 [0,0,0,0,0,0|1,0,2]=3
1  B9R0.7  CC(S)C(=O)NCC(=O)O HY-B0373 [0,0,0,0,0,0|0,0,2]=2
2  B8R0.9  CCC(=O)NCC(=O)O HY-W587803 [1,0,0,0,0,0|0,0,2]=3
3  B8R0.9  NCC(=O)CCC(=O)O HY-N0305 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.9  NCC(=O)CCC(=O)O HY-N0305R [1,0,0,0,0,0|2,0,1]=4
5  B8R0.9  NCC(=O)NCC(=O)O HY-D0889R [1,0,0,0,0,0|1,0,2]=4
6  B10R0.57  CCC(C)C(=O)NCC(=O)O HY-W141919 [0,1,0,0,0,0|1,0,2]=4
7  B10R0.57  N[C@@H](CS)C(=O)NCC(=O)O HY-113110 [0,1,0,0,0,0|1,0,2]=4
8  B10R0.57  N[C@@H](CS)C(=O)NCC(=O)O HY-113110A [0,1,0,0,0,0|1,0,2]=4
9  B10R0.93  CC(N)C(=O)NC(C)C(=O)O HY-W015449 [0,1,0,0,0,0|1,0,2]=4
10  B10R0.93  C[C@@H](N)C(=O)N[C@H](C)C(=O)O HY-W015450 [0,1,0,0,0,0|1,0,2]=4
11  B10R0.93  C[C@@H](N)C(=O)N[C@H](C)C(=O)O HY-W015450R [0,1,0,0,0,0|1,0,2]=4
12  B10R0.93  C[C@H](N)C(=O)N[C@@H](C)C(=O)O HY-W010162 [0,1,0,0,0,0|1,0,2]=4
13  B10R0.93  C[C@H](N)C(=O)N[C@H](C)C(=O)O HY-W250715 [0,1,0,0,0,0|1,0,2]=4
14  B10R0.96  CC(C)CC(=O)NCC(=O)O HY-W015464 [0,0,0,0,0,1|1,0,2]=4
15  B7R0.4  CC\C=C\CC(=O)O HY-W010532 [2,0,0,0,0,0|1,0,0]=3
16  B7R0.4  O=C(O)COCCS HY-140730 [2,0,0,0,0,0|1,0,1]=4
17  B7R0.6  CC(=O)CCC(=O)O HY-Y0839 [2,0,0,0,0,0|1,0,1]=4
18  B7R0.6  CC(=O)NCC(=O)O HY-Y0069 [2,0,0,0,0,0|0,0,2]=4
19  B7R0.6  O=C(O)CCC(=O)O HY-N0420 [2,0,0,0,0,0|1,1,0]=4
20  B7R0.6  O=C(O)CCC(=O)O HY-N0420R [2,0,0,0,0,0|1,1,0]=4
21  B7R0.6  O=[13C](O)CC[13C](=O)O HY-N0420S3 [2,0,0,0,0,0|1,1,0]=4
22  B9R0.48  CCCC(=O)NCC(=O)O HY-113119 [1,1,0,0,0,0|0,0,2]=4
23  B7R0.2  CCC(C)CC(=O)O HY-W010513 [1,0,0,0,1,0|1,0,1]=4
24  B7R0.2  CCC(C)CC(=O)O HY-W010513R [1,0,0,0,1,0|1,0,1]=4
25  B7R0.2  CCC(O)CC(=O)O HY-113004 [1,0,0,0,1,0|0,0,1]=3
26  B7R0.2  NCC(O)CC(=O)O HY-B1427 [1,0,0,0,1,0|1,0,1]=4
27  B7R0.16  CC(C)C(=O)C(=O)O HY-W006057 [0,0,0,0,2,0|1,0,1]=4
28  B7R0.16  CC(C)C(O)C(=O)O HY-W008150 [0,0,0,0,2,0|1,0,1]=4