0  B5R0.5  CC(=O)N(C)C HY-W042416R [0,0,0,0,0,0|2,0,0]=2
1  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [0,0,0,0,0,0|1,0,2]=3
2  B4R0.1  C=CC(=O)O HY-W243303J [1,0,0,0,0,0|1,0,1]=3
3  B4R0.1  C=CC(N)=O HY-W115727D [1,0,0,0,0,0|1,0,1]=3
4  B4R0.1  CC[C@@H](C)O HY-W087952R [1,0,0,0,0,0|0,0,3]=4
5  B6R0.3  CCC(Br)C(=O)O HY-W015333R [0,1,0,0,0,0|2,0,1]=4
6  B6R0.3  CCC(N)C(=O)O HY-W010590R [0,1,0,0,0,0|2,0,1]=4
7  B6R0.3  CN(N=O)C(N)=O HY-34758R [0,1,0,0,0,0|2,0,0]=3
8  B6R0.3  COC(=O)C(C)C HY-172377A [0,1,0,0,0,0|1,0,1]=3
9  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [0,1,0,0,0,0|2,0,1]=4
10  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,1,0,0,0,0|2,0,0]=3
11  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [0,1,0,0,0,0|2,0,1]=4
12  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [0,1,0,0,0,0|2,0,1]=4
13  B6R0.7  CC(=O)C(Cl)(Cl)Br HY-133630 [0,1,0,0,0,0|2,0,1]=4
14  B6R0.7  CC(C)(N)C(=O)O HY-Y0124R [0,1,0,0,0,0|2,0,1]=4
15  B6R0.2  CC(=O)NC(C)=O HY-W130303 [0,0,0,0,0,1|0,0,0]=1
16  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [0,0,0,0,0,1|1,0,2]=4
17  B6R0.2  O=C(O)C=C(Br)Br HY-133653 [0,0,0,0,0,1|3,0,0]=4
18  B3R0.1  O=CC=O HY-Y0785 [2,0,0,0,0,0|0,0,0]=2
19  B5R0.3  CCC(=O)O[Na] HY-B1773AR [1,1,0,0,0,0|1,0,1]=4
20  B5R0.3  O=C(CO)CO HY-Y0335R [1,1,0,0,0,0|0,0,2]=4
21  B5R0.3  O=C[C@H](O)CO HY-W008507 [1,1,0,0,0,0|0,0,2]=4
22  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [1,1,0,0,0,0|0,0,2]=4
23  B7R0.9  CC(=O)CC(C)(C)N HY-N3739 [0,1,0,0,0,1|1,0,1]=4
24  B7R0.16  [13CH3][13CH]([13C](=O)O)[13C](=O)O HY-103395S1 [0,1,0,0,0,1|2,0,0]=4
25  B7R0.5  CCCC(=O)C(=O)O HY-113098R [0,2,0,0,0,0|1,0,0]=3
26  B7R0.5  CCOC(=O)C(C)=O HY-Y1362R [0,2,0,0,0,0|0,0,0]=2
27  B7R0.6  O=C(O)[13CH2][13CH2]C(=O)O HY-N0420S4 [0,0,0,0,0,2|2,0,0]=4