0  B6R0.1  C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.1  C\C=N\N(C)C=O HY-W762013 [0,0,0,0,0,0|2,0,1]=3
2  B5R0.1  CNCC(=O)O HY-W012791 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.1  C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|0,0,1]=2
4  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.3  CC[C@H](C)CO HY-W093104 [1,0,0,0,0,0|0,0,3]=4
6  B7R0.3  C=CC(=O)NCCO HY-W095198 [0,1,0,0,0,0|3,0,0]=4
7  B7R1.1  O=CC1=CC=CN1 HY-77817 [0,0,0,1,0,0|1,0,2]=4
8  B7R1.1  O=CC1=COC=C1 HY-76224 [0,0,0,1,0,0|1,0,2]=4
9  B7R1.1  O=CN1CCCC1 HY-W102648 [0,0,0,1,0,0|1,0,1]=3
10  B7R1.1  O=NN1CCCC1 HY-W141077 [0,0,0,1,0,0|2,0,1]=4
11  B7R1.3  CC1=CCCCC1 HY-W004338 [0,0,0,1,0,0|1,0,1]=3
12  B7R1.4  CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|1,0,1]=3
13  B4R0.1  C=CC(=O)O HY-W243303B [2,0,0,0,0,0|1,0,1]=4
14  B4R0.1  C=CC(=O)O HY-W243303M [2,0,0,0,0,0|1,0,1]=4
15  B4R0.1  C=CC(N)=O HY-W115727E [2,0,0,0,0,0|1,0,1]=4
16  B4R0.1  CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,0]=3
17  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,0]=3
18  B4R0.1  [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.1  [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|2,0,0]=4
20  B4R0.1  [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|2,0,0]=4
21  B4R0.1  [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|2,0,0]=4
22  B4R0.2  CCCNC HY-W250110E [2,0,0,0,0,0|1,0,1]=4
23  B4R0.2  CCCNC HY-W250110I [2,0,0,0,0,0|1,0,1]=4
24  B6R0.2  CC(C)=CC(=O)O HY-W010611 [1,1,0,0,0,0|1,0,1]=4
25  B6R0.2  CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|1,0,1]=4
26  B6R0.3  C(C)=C(/C)C(=O)O HY-N6929 [1,1,0,0,0,0|1,0,1]=4
27  B6R0.3  CC(=O)C(=O)O[Na] HY-W015913 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.3  CC(=O)C(=O)O[Na] HY-W015913R [1,1,0,0,0,0|2,0,0]=4
29  B6R0.3  CC(=O)[13C](=O)O[Na] HY-Y0781S3 [1,1,0,0,0,0|2,0,0]=4
30  B6R0.3  CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|0,0,0]=2
31  B6R0.3  CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|1,0,1]=4
32  B6R0.3  CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|1,0,1]=4
33  B6R0.3  C[13C](=O)C(=O)O[Na] HY-Y0781S [1,1,0,0,0,0|2,0,0]=4
34  B6R0.3  O=C(O)C(=O)CO HY-113013 [1,1,0,0,0,0|2,0,0]=4
35  B6R0.4  O=C(O)\C=C\CO HY-100982 [1,1,0,0,0,0|1,0,1]=4
36  B6R1.2  CC1=CNN=C1 HY-B0876 [1,0,0,1,0,0|2,0,0]=4
37  B8R1.50  CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|0,0,1]=3
38  B8R1.7  O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,1,0,1,0,0|1,0,1]=4
39  B8R1.7  O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,1,0,1,0,0|1,0,1]=4
40  B8R1.11  CCN1CCCC1=O HY-B1620D [0,1,0,1,0,0|1,0,1]=4
41  B8R1.11  CCN1CCCC1=O HY-B1620K [0,1,0,1,0,0|1,0,1]=4