0  B5R0.3  CCC(=O)O[Na] HY-B1773AR [0,0,0,0,0,0|3,0,1]=4
1  B5R0.3  O=C[C@H](O)CO HY-W008507 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [0,0,0,0,0,0|2,0,2]=4
3  B4R0.1  C=CC(=O)O HY-W243303J [1,0,0,0,0,0|1,0,1]=3
4  B4R0.1  C=CC(N)=O HY-W115727D [1,0,0,0,0,0|1,0,1]=3
5  B4R0.1  CC[C@@H](C)O HY-W087952R [1,0,0,0,0,0|0,0,3]=4
6  B4R0.2  CCO[13CH]=O HY-W747621 [1,0,0,0,0,0|1,0,1]=3
7  B6R0.1  COC(=O)N=C=O HY-W178414 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.3  CCC(Br)C(=O)O HY-W015333R [0,1,0,0,0,0|1,0,2]=4
9  B6R0.3  CCC(N)C(=O)O HY-W010590R [0,1,0,0,0,0|1,0,2]=4
10  B6R0.3  CN(N=O)C(N)=O HY-34758R [0,1,0,0,0,0|3,0,0]=4
11  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [0,1,0,0,0,0|1,0,2]=4
12  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,1,0,0,0,0|0,0,0]=1
13  B3R0.1  O=CC=O HY-Y0785 [2,0,0,0,0,0|1,0,0]=3
14  B5R0.4  C=C[N+](C)(C)C HY-W106467 [1,1,0,0,0,0|2,0,0]=4
15  B5R0.5  CC(=O)N(C)C HY-W042416R [1,1,0,0,0,0|1,0,0]=3
16  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.5  CCCC(=O)C(=O)O HY-113098R [0,2,0,0,0,0|1,0,1]=4
18  B7R0.5  CCOC(=O)C(C)=O HY-Y1362R [0,2,0,0,0,0|1,0,1]=4
19  B7R0.15  CCC(CC)C(=O)O HY-W004154R [0,2,0,0,0,0|0,0,2]=4
20  B7R0.16  [13CH3][13CH]([13C](=O)O)[13C](=O)O HY-103395S1 [0,2,0,0,0,0|1,0,1]=4
21  B7R1.1  O=CC1=CC=CN1 HY-77817R [0,1,0,1,0,0|0,0,2]=4