0  B5R0.1  C\C=C\C(C)=O HY-34748 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  C=CC(=O)O HY-W243303B [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  C=CC(=O)O HY-W243303M [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  C=CC(N)=O HY-W115727E [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  CC(=O)CN HY-W004850 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.1  CSC(=N)N HY-79457 [1,0,0,0,0,0|3,0,0]=4
7  B4R0.1  C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|1,1,1]=4
8  B4R0.1  C[C@H](O)CO HY-79334 [1,0,0,0,0,0|1,1,1]=4
9  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|2,0,1]=4
10  B4R0.1  [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|3,0,0]=4
11  B4R0.1  [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|3,0,0]=4
12  B4R0.1  [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|3,0,0]=4
13  B4R0.1  [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|3,0,0]=4
14  B4R0.2  CCCNC HY-W250110E [1,0,0,0,0,0|2,0,1]=4
15  B4R0.2  CCCNC HY-W250110I [1,0,0,0,0,0|2,0,1]=4
16  B6R0.2  CC(C)=CC(=O)O HY-W010611 [0,1,0,0,0,0|0,1,1]=3
17  B6R0.2  CC(C)NC(C)C HY-B2210 [0,1,0,0,0,0|2,0,1]=4
18  B6R0.3  CC(=O)C(=O)O[Na] HY-W015913 [0,1,0,0,0,0|3,0,0]=4
19  B6R0.3  CC(=O)C(=O)O[Na] HY-W015913R [0,1,0,0,0,0|3,0,0]=4
20  B6R0.3  CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,1,0,0,0,0|3,0,0]=4
21  B6R0.3  CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|0,1,2]=4
22  B6R0.3  CCC(=O)C(C)=O HY-W012998R [0,1,0,0,0,0|2,0,0]=3
23  B6R0.3  C[13C](=O)C(=O)O[Na] HY-Y0781S [0,1,0,0,0,0|3,0,0]=4
24  B6R0.3  O=C(O)C(=O)CO HY-113013 [0,1,0,0,0,0|2,1,0]=4
25  B6R0.3  [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,1,0,0,0,0|2,0,1]=4
26  B6R0.4  O=C(O)\C=C\CO HY-100982 [0,1,0,0,0,0|2,1,0]=4
27  B6R0.5  C[N+](C)(C)[13CH2][13CH2]O HY-B1337S5 [0,1,0,0,0,0|1,1,1]=4
28  B6R1.2  CC1=CNN=C1 HY-B0876 [0,0,0,1,0,0|2,0,1]=4
29  B3R0.1  NCCS HY-77591R [2,0,0,0,0,0|1,0,1]=4
30  B3R0.1  [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|1,1,0]=4
31  B3R0.2  CC(=O)O HY-P0119A [2,0,0,0,0,0|1,1,0]=4
32  B3R0.2  CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,1,0]=4
33  B3R0.2  CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,1,0]=4
34  B3R0.2  CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,1,0]=4
35  B3R0.2  CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,1,0]=4
36  B5R0.3  CC[C@H](C)CO HY-W093104 [1,1,0,0,0,0|0,0,2]=4
37  B5R0.3  OCC(O)CS HY-W010572 [1,1,0,0,0,0|1,0,1]=4
38  B5R0.4  CO[Si](C)(C)C HY-104035H [1,1,0,0,0,0|1,1,0]=4
39  B5R1.2  C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,1]=4
40  B5R1.1  C1CSCN1 HY-I0144 [1,0,0,1,0,0|1,0,1]=4
41  B7R1.3  CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|1,0,0]=3