0  B6R0.2  CC(=O)CC(=O)O HY-112540 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.2  CC(C)=CC(=O)O HY-W010611 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.2  CC(C)CC(=O)O HY-W012980R [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  CNCC(=O)O HY-W012791 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.1  C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.16  CC(C(=O)O)C(=O)O HY-103395R [0,1,0,0,0,0|3,0,0]=4
6  B7R1.2  O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,1,0,0|1,0,0]=2
7  B5R0.5  CC(N)[13C](=O)O HY-N2362S [0,0,0,0,1,0|2,0,1]=4
8  B5R0.5  C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,0,0,0,1,0|2,0,1]=4
9  B5R0.5  C[C@@H](N)C(=O)O HY-41700 [0,0,0,0,1,0|2,0,1]=4
10  B5R0.5  C[C@H](N)C(N)=O HY-75326 [0,0,0,0,1,0|2,0,1]=4
11  B5R0.5  C[C@H](N)[13C](=O)O HY-N0229S1 [0,0,0,0,1,0|2,0,1]=4
12  B5R0.5  C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,0,0,0,1,0|2,0,1]=4
13  B5R0.5  O=C([O-])C(=O)[O-] HY-W140731 [0,0,0,0,1,0|2,0,0]=3
14  B5R0.5  O=[13C](O)[13C](=O)O HY-Y0262S1 [0,0,0,0,1,0|2,0,0]=3
15  B5R0.5  [13CH3]C(N)C(=O)O HY-N2362S1 [0,0,0,0,1,0|2,0,1]=4
16  B5R0.5  [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,0,0,0,1,0|2,0,1]=4
17  B5R0.5  [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,0,0,0,1,0|2,0,1]=4
18  B5R0.5  [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,0,0,1,0|1,0,2]=4
19  B5R0.5  [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,0,0,0,1,0|2,0,1]=4
20  B5R0.5  [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,0,0,0,1,0|2,0,1]=4
21  B7R0.6  O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,0,0,0,0,1|3,0,0]=4
22  B7R0.6  O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [0,0,0,0,0,1|3,0,0]=4
23  B4R0.1  C=CC(=O)O HY-W243303B [2,0,0,0,0,0|1,0,1]=4
24  B4R0.1  C=CC(=O)O HY-W243303M [2,0,0,0,0,0|1,0,1]=4
25  B4R0.1  C=CC(N)=O HY-W115727E [2,0,0,0,0,0|1,0,1]=4
26  B4R0.1  CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,1]=4
27  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,1]=4
28  B4R0.1  [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|1,0,0]=3
29  B4R0.2  O=COO[Na] HY-ER013B [2,0,0,0,0,0|2,0,0]=4
30  B4R0.2  [Li]OOC=O HY-Y0292 [2,0,0,0,0,0|2,0,0]=4
31  B6R0.1  C\C=N\N(C)C=O HY-W762013 [1,1,0,0,0,0|2,0,0]=4
32  B6R0.3  C(C)=C(/C)C(=O)O HY-N6929 [1,1,0,0,0,0|2,0,0]=4
33  B6R0.3  CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|1,0,1]=4
34  B6R0.4  O=C(O)\C=C\CO HY-100982 [1,1,0,0,0,0|2,0,0]=4
35  B8R0.9  NCC(=O)CCC(=O)O HY-W000450 [0,1,0,0,0,1|2,0,0]=4
36  B8R0.9  NCC(=O)NCC(=O)O HY-D0889 [0,1,0,0,0,1|2,0,0]=4
37  B8R0.23  CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,1,0,0,0,1|2,0,0]=4
38  B8R0.24  CS(=O)(=O)NC(=O)CCl HY-79681 [0,2,0,0,0,0|2,0,0]=4
39  B8R1.50  CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|1,0,0]=3