0  B6R1.2  O=C1CCOC1 HY-33900R [0,0,0,0,0,0|1,0,2]=3
1  B7R1.1  O=CC1=CC=CN1 HY-77817R [0,1,0,0,0,0|2,0,0]=3
2  B7R1.4  N[C@H]1CONC1=O HY-B1122R [0,1,0,0,0,0|1,0,2]=4
3  B5R0.3  CCC(=O)O[Na] HY-B1773AR [0,0,1,0,0,0|1,0,2]=4
4  B5R0.3  O=C(CO)CO HY-Y0335R [0,0,1,0,0,0|2,0,1]=4
5  B7R1.3  Br[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W780150 [0,0,0,0,0,1|3,0,0]=4
6  B7R1.3  O=C1C=CC=CN1 HY-Y0191R [0,0,0,0,0,1|2,0,0]=3
7  B7R1.3  OC1=CC=CN=C1 HY-Y1129R [0,0,0,0,0,1|2,0,1]=4
8  B4R0.1  C=CC(=O)O HY-W243303J [1,0,1,0,0,0|0,0,0]=2
9  B4R0.1  C=CC(N)=O HY-W115727D [1,0,1,0,0,0|1,0,0]=3
10  B4R0.1  O=P(=O)OO HY-B2243H [1,0,1,0,0,0|2,0,0]=4
11  B4R0.2  CCO[13CH]=O HY-W747621 [1,0,1,0,0,0|0,0,2]=4
12  B4R0.2  O=NOO[Na] HY-155386 [1,0,1,0,0,0|2,0,0]=4
13  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [0,1,1,0,0,0|0,0,2]=4
14  B6R0.2  O=C(O)C=C(Br)Br HY-133653 [0,1,1,0,0,0|1,0,0]=3
15  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,1,1,0,0,0|1,0,0]=3
16  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [0,1,1,0,0,0|0,0,2]=4
17  B6R0.6  C\C=C\C=C\C=O HY-W068035 [0,1,1,0,0,0|2,0,0]=4
18  B8R1.4  O=C1C=C[15NH][13C](=O)[15NH]1 HY-I0960S [0,1,0,0,0,1|2,0,0]=4
19  B8R1.1  NCC1=CC(=O)NS1 HY-129927 [0,2,0,0,0,0|1,1,0]=4
20  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956R [0,2,0,0,0,0|2,0,0]=4
21  B8R1.7  CC(=O)C1=NSC=C1 HY-W458364 [0,2,0,0,0,0|1,1,0]=4
22  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963R [0,2,0,0,0,0|2,0,0]=4