0  B7R1.2  O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,0,0,0|1,0,0]=1
1  B6R1.2  S=C1NCCO1 HY-W038985 [1,0,0,0,0,0|1,1,1]=4
2  B8R1.50  CC1C(=O)CCC1=O HY-W012944 [0,1,0,0,0,0|1,0,0]=2
3  B6R0.2  CC(=O)CC(=O)O HY-112540 [0,0,1,0,0,0|2,0,0]=3
4  B6R0.2  CC(C)=CC(=O)O HY-W010611 [0,0,1,0,0,0|3,0,0]=4
5  B6R0.4  C#CCCC(=O)O HY-Y1230 [0,0,1,0,0,0|1,0,1]=3
6  B8R1.4  O=C1C=NNC(=O)N1 HY-W008232 [0,0,0,0,0,1|2,0,1]=4
7  B8R1.4  O=[13C]1[13CH]=[13CH]N[13C](=O)N1 HY-I0960S1 [0,0,0,0,0,1|1,0,2]=4
8  B5R0.1  CNCC(=O)O HY-W012791 [1,0,1,0,0,0|1,0,1]=4
9  B5R0.1  C\C=C\C(C)=O HY-34748 [1,0,1,0,0,0|1,0,0]=3
10  B5R0.1  NOCC(=O)O HY-107994A [1,0,1,0,0,0|2,0,0]=4
11  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [1,0,1,0,0,0|1,0,0]=3
12  B5R0.2  C=CCCCO HY-W010639 [1,0,1,0,0,0|1,0,1]=4
13  B7R0.3  CCC(=O)OCOC HY-41616 [0,1,1,0,0,0|0,0,2]=4
14  B7R0.3  CCC(=O)\C=C\C=O HY-N12851 [0,1,1,0,0,0|1,0,0]=3
15  B7R0.5  CCOC(=O)C(C)N HY-W099247 [0,1,1,0,0,0|1,0,1]=4
16  B7R0.7  CCOC(=O)CNC HY-Y1144 [0,1,1,0,0,0|1,0,1]=4
17  B7R0.4  NCCNCC(=O)O HY-W012883 [0,1,1,0,0,0|1,0,1]=4
18  B7R0.4  O=C(O)COCCO HY-W591338A [0,1,1,0,0,0|0,0,2]=4
19  B7R0.4  O=C(O)COCCO HY-W591338B [0,1,1,0,0,0|0,0,2]=4
20  B7R0.4  O=C(O)COCCS HY-140728 [0,1,1,0,0,0|0,1,1]=4
21  B7R0.6  C[S+](C)CCC(=O)O HY-W105506 [0,1,1,0,0,0|2,0,0]=4
22  B7R0.6  O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,1,1,0,0,0|0,0,0]=2
23  B7R0.6  O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [0,1,1,0,0,0|0,0,2]=4
24  B7R1.4  CC1OCCC1=O HY-W010608 [1,1,0,0,0,0|2,0,0]=4
25  B7R1.4  NN1CCOC1=O HY-W012982 [1,1,0,0,0,0|1,0,1]=4
26  B7R1.14  O=S1(=O)CCCO1 HY-W010479 [1,1,0,0,0,0|1,0,1]=4
27  B9R1.3  CC1C(=O)CCCC1=O HY-W018778 [0,1,0,0,0,1|1,0,0]=3
28  B9R1.132  COC1=C(Br)C(=O)CC1 HY-42858 [0,2,0,0,0,0|1,0,1]=4
29  B5R0.5  O=C([O-])C(=O)[O-] HY-W140731 [0,0,1,0,1,0|2,0,0]=4
30  B5R0.5  O=[13C](O)[13C](=O)O HY-Y0262S1 [0,0,1,0,1,0|2,0,0]=4