0  B5R0.3  O=C[C@H](O)CO HY-W008507 [1,0,0,0,0,0|2,0,0]=3
1  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.5  CCCC(=O)C(=O)O HY-113098R [0,1,0,0,0,0|1,0,1]=3
3  B7R0.5  CCOC(=O)C(C)=O HY-Y1362R [0,1,0,0,0,0|2,0,1]=4
4  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [0,1,0,0,0,0|2,0,0]=3
5  B7R1.1  OC[C@@H]1CCCN1 HY-Y1126R [0,0,0,1,0,0|1,0,2]=4
6  B7R1.4  N[C@H]1CONC1=O HY-B1122R [0,0,0,1,0,0|3,0,0]=4
7  B4R0.1  CC(O)CN HY-W015969R [2,0,0,0,0,0|1,0,1]=4
8  B4R0.1  CC[C@@H](C)O HY-W087952R [2,0,0,0,0,0|0,0,1]=3
9  B4R0.1  C[C@H](O)CO HY-79334R [2,0,0,0,0,0|1,0,1]=4
10  B4R0.2  CCO[13CH]=O HY-W747621 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.2  CC(C)CC(C)N HY-W114255 [1,1,0,0,0,0|0,0,1]=3
12  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [1,1,0,0,0,0|1,0,1]=4
13  B6R0.3  CCC(Br)C(=O)O HY-W015333R [1,1,0,0,0,0|1,0,1]=4
14  B6R0.3  CCC(N)C(=O)O HY-W010590R [1,1,0,0,0,0|1,0,1]=4
15  B8R0.2  CCC(O)C(N)C(=O)O HY-W142133 [0,2,0,0,0,0|1,0,0]=3
16  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [0,2,0,0,0,0|1,0,0]=3
17  B8R0.2  C[C@@H](O)[C@@H](O)[C@@H](O)C=O HY-W047223 [0,2,0,0,0,0|1,0,0]=3
18  B8R0.23  CC(C)CC(N)C(=O)O HY-B1674R [0,2,0,0,0,0|1,0,0]=3
19  B8R0.23  CC(C)C[C@@H](N)C(=O)O HY-Y0378R [0,2,0,0,0,0|1,0,0]=3
20  B8R0.8  CSCCC(N)C(=O)O HY-N0325R [0,2,0,0,0,0|1,0,0]=3
21  B8R0.8  CSCC[C@@H](N)C(=O)O HY-13694R [0,2,0,0,0,0|1,0,0]=3
22  B6R1.2  O=C1CCOC1 HY-33900R [1,0,0,1,0,0|1,0,1]=4
23  B8R1.7  O=C(O)C1CSCN1 HY-B1169R [0,1,0,1,0,0|2,0,0]=4