0  B7R1.2  O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,0,0,0|2,0,0]=2
1  B6R1.2  CC1=CNN=C1 HY-B0876 [1,0,0,0,0,0|2,0,1]=4
2  B8R1.50  CC1C(=O)CCC1=O HY-W012944 [0,1,0,0,0,0|1,0,1]=3
3  B6R0.2  CC(=O)CC(=O)O HY-112540 [0,0,1,0,0,0|2,0,1]=4
4  B6R0.2  CC(C)=CC(=O)O HY-W010611 [0,0,1,0,0,0|1,0,0]=2
5  B6R0.2  CC(C)CC(=O)O HY-W012980R [0,0,1,0,0,0|1,0,2]=4
6  B6R0.4  C#CCCC(=O)O HY-Y1230 [0,0,1,0,0,0|1,0,2]=4
7  B8R1.4  CC1=CC(Br)=NC=C1 HY-W007579 [0,0,0,0,0,1|1,0,2]=4
8  B8R1.4  CC1CCN=C(N)S1 HY-101251 [0,0,0,0,0,1|2,0,1]=4
9  B5R0.1  CNCC(=O)O HY-W012791 [1,0,1,0,0,0|2,0,0]=4
10  B5R0.1  C\C=C\C(C)=O HY-34748 [1,0,1,0,0,0|0,0,0]=2
11  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [1,0,1,0,0,0|2,0,0]=4
12  B5R0.2  C=CCCCO HY-W010639 [1,0,1,0,0,0|0,0,2]=4
13  B5R0.3  CC[PH](=O)CC HY-W094280 [1,0,1,0,0,0|1,0,1]=4
14  B7R0.3  CCC(=O)OCOC HY-41616 [0,1,1,0,0,0|1,0,1]=4
15  B7R0.3  CCC(=O)\C=C\C=O HY-N12851 [0,1,1,0,0,0|0,0,1]=3
16  B7R0.5  CCOC(=O)C(C)N HY-W099247 [0,1,1,0,0,0|1,0,1]=4
17  B7R0.7  CCOC(=O)CNC HY-Y1144 [0,1,1,0,0,0|1,0,1]=4
18  B7R0.16  CC(C)C(=O)C(=O)O HY-W006057R [0,1,1,0,0,0|1,0,1]=4
19  B7R0.6  C[S+](C)CCC(=O)O HY-W105506 [0,1,1,0,0,0|1,0,1]=4
20  B7R0.6  O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,1,1,0,0,0|2,0,0]=4
21  B7R1.1  O=CC1=CC=CN1 HY-77817 [1,1,0,0,0,0|1,0,1]=4
22  B7R1.1  O=CC1=COC=C1 HY-76224 [1,1,0,0,0,0|1,0,1]=4
23  B7R1.4  CC1OCCC1=O HY-W010608 [1,1,0,0,0,0|1,0,1]=4
24  B9R1.69  CC1=CNC(=O)NC1=O HY-W010450R [0,1,0,0,0,1|1,0,1]=4
25  B9R1.69  NC1CCC(=O)NC1=O HY-34590 [0,1,0,0,0,1|1,0,1]=4
26  B9R1.3  CC1C(=O)CCCC1=O HY-W018778 [0,1,0,0,0,1|1,0,1]=4
27  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [0,2,0,0,0,0|2,0,0]=4
28  B9R1.132  COC1=C(Br)C(=O)CC1 HY-42858 [0,2,0,0,0,0|0,0,0]=2
29  B7R1.3  CC1=CCCCC1 HY-W004338 [0,0,1,1,0,0|1,0,1]=4
30  B5R1.2  C[C@H]1CCN1 HY-35279 [1,0,0,0,1,0|1,0,1]=4