0  B6R0.3  CCC(Br)C(=O)O HY-W015333R [0,0,0,0,0,0|3,0,0]=3
1  B6R0.3  CCC(N)C(=O)O HY-W010590R [0,0,0,0,0,0|3,0,0]=3
2  B6R0.3  CN(N=O)C(N)=O HY-34758R [0,0,0,0,0,0|4,0,0]=4
3  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [0,0,0,0,0,0|3,0,0]=3
4  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,0,0,0,0,0|2,0,1]=3
5  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [0,0,0,0,0,0|4,0,0]=4
6  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [0,0,0,0,0,0|4,0,0]=4
7  B5R0.3  O=C[C@H](O)CO HY-W008507 [1,0,0,0,0,0|3,0,0]=4
8  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [1,0,0,0,0,0|3,0,0]=4
9  B5R0.5  CC(=O)N(C)C HY-W042416R [1,0,0,0,0,0|1,0,0]=2
10  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [1,0,0,0,0,0|1,1,0]=3
11  B7R0.5  CCOC(=O)C(C)=O HY-Y1362R [0,1,0,0,0,0|1,1,1]=4
12  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [0,1,0,0,0,0|3,0,0]=4
13  B7R0.13  CC(N)(CO)C(=O)O HY-W012873 [0,1,0,0,0,0|3,0,0]=4
14  B7R0.15  CCC(CC)C(=O)O HY-W004154R [0,1,0,0,0,0|2,0,0]=3
15  B7R0.16  CC(C)C(O)C(=O)O HY-W008150R [0,1,0,0,0,0|3,0,0]=4
16  B7R0.16  CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [0,1,0,0,0,0|3,0,0]=4
17  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O HY-N0658AR [0,1,0,0,0,0|3,0,0]=4
18  B7R0.16  [13CH3][13CH]([13C](=O)O)[13C](=O)O HY-103395S1 [0,1,0,0,0,0|3,0,0]=4
19  B4R0.1  CC[C@@H](C)O HY-W087952R [2,0,0,0,0,0|0,0,2]=4
20  B4R0.2  CCO[13CH]=O HY-W747621 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.1  CCOC(=O)CN HY-148666 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.1  CCOC(=O)[13CH2]N HY-76204S [1,1,0,0,0,0|2,0,0]=4
23  B6R0.2  CC(=O)NC(C)=O HY-W130303 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [1,1,0,0,0,0|2,0,0]=4
25  B6R0.7  CC(=O)C(Cl)(Cl)Br HY-133630 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.7  CC(C)(N)C(=O)O HY-Y0124R [1,1,0,0,0,0|1,0,0]=3
27  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [0,1,0,0,0,1|2,0,0]=4
28  B8R0.8  CSCCC(N)C(=O)O HY-N0325R [0,2,0,0,0,0|2,0,0]=4
29  B8R0.8  CSCC[C@@H](N)C(=O)O HY-13694R [0,2,0,0,0,0|2,0,0]=4
30  B6R1.2  O=C1CCOC1 HY-33900R [1,0,0,1,0,0|0,1,0]=3
31  B8R1.7  O=C(O)C1CSCN1 HY-B1169R [0,1,0,1,0,0|2,0,0]=4