0  B9R0.47  CNCCC[C@H](N)C(C)=O HY-126436D [0,0,0,0,0,0|3,0,1]=4
1  B9R0.47  C\C=C\SC[C@H](N)C(=O)O HY-111827 [0,0,0,0,0,0|0,0,2]=2
2  B9R0.47  N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0470S8 [0,0,0,0,0,0|2,0,1]=3
3  B9R0.47  [15NH2][13CH2][13CH2][13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0470S3 [0,0,0,0,0,0|2,0,1]=3
4  B9R0.47  [15NH2][13CH2][13CH2][13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-W009762S [0,0,0,0,0,0|2,0,1]=3
5  B8R0.7  O=C(O)CCOCCS HY-W190877 [1,0,0,0,0,0|1,1,1]=4
6  B8R0.8  C[34S]CC[C@H](N)C(=O)O HY-112019 [1,0,0,0,0,0|1,0,1]=3
7  B8R0.8  [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0326S6 [1,0,0,0,0,0|1,0,1]=3
8  B8R0.8  [15NH2]CCC[C@H]([15NH2])C(=O)O HY-W017018S5 [1,0,0,0,0,0|1,0,1]=3
9  B10R0.26  C=CC[S@](=O)C[C@H](N)C(=O)O HY-N0661 [0,1,0,0,0,0|0,0,1]=2
10  B10R0.82  NC(CF)CCC(N)C(=O)O HY-154021A [0,1,0,0,0,0|2,0,1]=4
11  B10R0.82  N[C@@H](CS\C(Cl)=C/Cl)C(=O)O HY-19717 [0,1,0,0,0,0|1,0,1]=3
12  B10R0.98  CC(=O)OCC[C@H](N)C(=O)O HY-W585967 [0,1,0,0,0,0|2,0,1]=4
13  B10R1.204  N[C@H](CC1CCC1)C(=O)O HY-20861 [0,0,0,1,0,0|1,0,2]=4
14  B7R0.5  C#CC[C@H](N)C(=O)O HY-W006064 [2,0,0,0,0,0|0,0,2]=4
15  B7R0.5  C=CCC(N)C(=O)O HY-W023493 [2,0,0,0,0,0|0,0,0]=2
16  B9R0.7  N[13C@@H](CCC(=O)O)[13C](=O)O HY-14608S10 [1,1,0,0,0,0|1,0,0]=3
17  B9R0.7  N[C@@H](CC[13C](=O)O)C(=O)O HY-14608S6 [1,1,0,0,0,0|1,0,0]=3
18  B9R0.7  N[C@@H](CC[13C](N)=O)C(=O)O HY-N0390S4 [1,1,0,0,0,0|1,0,0]=3
19  B9R0.7  N[C@@H]([13CH2]CC(=O)O)C(=O)O HY-14608S [1,1,0,0,0,0|1,0,0]=3
20  B9R0.7  O=C(O)CC[C@@H](O)C(=O)O HY-113038 [1,1,0,0,0,0|2,0,0]=4
21  B9R0.7  [C@H](N)(CCS(C)=O)C(=O)O HY-W010104 [1,1,0,0,0,0|1,0,1]=4
22  B11R0.33  N[C@@H](CS(=O)CC(=O)O)C(=O)O HY-W422362 [0,2,0,0,0,0|1,0,1]=4
23  B11R0.29  N=C(N)NCCC[C@H](N)[13C](=O)O HY-N0455AS3 [0,2,0,0,0,0|2,0,0]=4
24  B11R0.29  N[C@@H](CCCNC(=[15NH])[15NH2])C(=O)O HY-N0455AS [0,2,0,0,0,0|2,0,0]=4
25  B11R0.29  [15NH]=C([15NH2])[15NH]CCC[C@H]([15NH2])C(=O)O HY-N0455AS1 [0,2,0,0,0,0|2,0,0]=4
26  B9R1.35  O=[13C]1[13CH2][13CH2][13C@@H]([13C](=O)O)N1 HY-76082S1 [1,0,0,1,0,0|1,0,0]=3
27  B9R1.35  [15NH2][13C]1=[15N]C(C(=O)O)CS1 HY-W051624S [1,0,0,1,0,0|1,0,1]=4
28  B9R1.69  N[C@@H]1CCC(=O)NC1=O HY-W088629 [1,0,0,1,0,0|2,0,0]=4
29  B11R1.35  N[13C@@H]([13CH2][13C]1=[13CH]N=[13CH]N1)[13C](=O)O HY-W014423S2 [0,1,0,1,0,0|2,0,0]=4
30  B11R1.35  N[C@@H](CC1=CN=[13CH]N1)C(=O)O HY-W014423S [0,1,0,1,0,0|2,0,0]=4
31  B11R1.35  N[C@H](CC1=CN=CN1)C(=O)O HY-W012572 [0,1,0,1,0,0|2,0,0]=4