0  B8R0.3  CCOC(=O)[C@@H](N)CO HY-W016996 [0,0,0,0,0,0|2,0,0]=2
1  B8R0.3  CCOC(=O)[C@@H](N)CS HY-Y1875 [0,0,0,0,0,0|2,0,0]=2
2  B7R0.5  CCOC(=O)C(C)N HY-W099247 [1,0,0,0,0,0|1,0,0]=2
3  B7R0.7  CCOC(=O)CNC HY-Y1144 [1,0,0,0,0,0|1,0,0]=2
4  B7R0.10  COC(=O)C(N)CCl HY-W098273 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.10  O=C(O[Na])[C@H](O)CO HY-139070A [1,0,0,0,0,0|3,0,0]=4
6  B9R0.37  CCOC(=O)C(CC)CC HY-W127442 [0,1,0,0,0,0|0,0,0]=1
7  B9R1.3  CC1C(=O)CCCC1=O HY-W018778 [0,0,0,1,0,0|2,0,1]=4
8  B6R0.1  C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [2,0,0,0,0,0|1,0,0]=3
9  B6R0.3  C(C)=C(/C)C(=O)O HY-N6929 [2,0,0,0,0,0|0,0,2]=4
10  B6R0.3  CCC(=O)C(C)=O HY-W012998R [2,0,0,0,0,0|1,0,1]=4
11  B6R0.3  CCC(Br)C(=O)O HY-W015333 [2,0,0,0,0,0|1,0,0]=3
12  B6R0.3  CC[C@@H](O)C(=O)O HY-113381A [2,0,0,0,0,0|1,0,0]=3
13  B6R0.3  CNC(C)C(=O)O HY-W010591 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.3  C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.3  N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.3  [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.3  [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.3  [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [2,0,0,0,0,0|2,0,0]=4
19  B8R0.5  CCOC(=O)C[C@@H](C)O HY-Y1131 [1,1,0,0,0,0|0,0,0]=2
20  B8R0.30  CCOP(=O)(O)OCC HY-101417 [1,1,0,0,0,0|2,0,0]=4
21  B8R1.11  CCN1CCCC1=O HY-B1620D [1,0,0,1,0,0|1,0,0]=3
22  B8R1.11  CCN1CCCC1=O HY-B1620K [1,0,0,1,0,0|1,0,0]=3
23  B10R1.402  CCOC(=O)C1[C@@H](C)[C@H]1C HY-W547983 [0,0,0,1,0,1|0,0,0]=2
24  B10R1.485  O=C1CC(O)(CF)CCO1 HY-133957 [0,0,0,1,0,1|2,0,0]=4
25  B10R1.34  O=C1O[C@H](CO)[C@@H](O)[C@H]1O HY-76691 [0,1,0,1,0,0|2,0,0]=4