0  B6R0.4  N[13CH2][13CH2][13CH2][13C](=O)O HY-N0067S3 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.4  O=CCCC(=O)O HY-104071 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  CC(F)CCN HY-W049770 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.1  C[15NH]CC(=O)O HY-101037S [1,0,0,0,0,0|2,0,0]=3
4  B5R0.1  [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [1,0,0,0,0,0|2,0,0]=3
5  B5R0.2  CSSSSC HY-W724853 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.2  NC[C@@H](O)CC(=O)O HY-W050122 [0,1,0,0,0,0|3,0,0]=4
7  B7R0.3  COC(=O)CCC=O HY-23656 [0,1,0,0,0,0|2,0,1]=4
8  B7R1.18  O=C(O)C1CCN1 HY-75308 [0,0,0,1,0,0|3,0,0]=4
9  B6R0.1  O=[13C]([13CH2][13CH2]O)O[Na] HY-W748200 [1,1,0,0,0,0|2,0,0]=4
10  B6R0.3  NC(CS)C(=O)O HY-W012850 [1,1,0,0,0,0|2,0,0]=4
11  B6R0.3  NCC(O)C(=O)O HY-W012966 [1,1,0,0,0,0|2,0,0]=4
12  B6R0.3  N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [1,1,0,0,0,0|2,0,0]=4
13  B6R0.3  N[C@@H](CO)C(=O)O HY-W142089 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.3  N[C@@H](CS)[13C](=O)O HY-Y0337S3 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.3  N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.3  [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.3  [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [1,1,0,0,0,0|2,0,0]=4
18  B8R0.2  CC[C@H](C)[C@H](N)[13C](=O)O HY-N0771S4 [0,2,0,0,0,0|2,0,0]=4
19  B8R0.2  [13CH3][13CH2][13C@H]([13CH3])[13C@H](N)[13C](=O)O HY-N0771S [0,2,0,0,0,0|2,0,0]=4
20  B8R0.2  [13CH3][13CH2][13C@H]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0771S9 [0,2,0,0,0,0|2,0,0]=4
21  B8R0.23  C=C(CC(C)C)C(C)=O HY-44868 [0,2,0,0,0,0|1,0,0]=3
22  B8R0.23  [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](=O)O HY-N0486S8 [0,2,0,0,0,0|2,0,0]=4
23  B8R0.8  C[34S]CC[C@H](N)C(=O)O HY-112019 [0,2,0,0,0,0|2,0,0]=4
24  B8R0.8  [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0326S6 [0,2,0,0,0,0|2,0,0]=4
25  B8R0.8  [15NH2]CCC[C@H]([15NH2])C(=O)O HY-W017018S5 [0,2,0,0,0,0|2,0,0]=4
26  B8R0.7  N#CCCCSC(=N)N HY-16271 [0,2,0,0,0,0|2,0,0]=4
27  B8R0.7  O=C(O)CCOCCS HY-W190877 [0,2,0,0,0,0|2,0,0]=4
28  B8R1.50  CC1=C(O)C(=O)SC1 HY-Z7429 [0,1,0,1,0,0|0,0,2]=4
29  B8R1.7  O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2][15NH]1 HY-Y0252S4 [0,1,0,1,0,0|2,0,0]=4