0  B8R0.8  CSCCC(N)C(=O)O HY-N0325R [0,0,0,0,0,0|0,0,0]=0
1  B8R0.8  CSCC[C@@H](N)C(=O)O HY-13694R [0,0,0,0,0,0|0,0,0]=0
2  B7R0.4  NCCCCC(=O)O HY-W015878R [1,0,0,0,0,0|2,0,0]=3
3  B7R0.5  CCCC(=O)C(=O)O HY-113098R [1,0,0,0,0,0|1,0,1]=3
4  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [1,0,0,0,0,0|1,0,0]=2
5  B9R0.7  CC(CCC(=O)O)C(=O)O HY-W017524R [0,1,0,0,0,0|3,0,0]=4
6  B9R0.47  C=CCSC[C@H](N)C(=O)O HY-W013573R [0,1,0,0,0,0|1,0,1]=3
7  B9R1.35  O=C1CC[C@H](C(=O)O)N1 HY-W002304R [0,0,0,1,0,0|2,0,0]=3
8  B9R0.4  COCCN(C)CC(=O)O HY-W033132 [0,0,0,0,0,1|2,1,0]=4
9  B6R0.3  CCC(Br)C(=O)O HY-W015333R [2,0,0,0,0,0|1,0,0]=3
10  B6R0.3  CCC(N)C(=O)O HY-W010590R [2,0,0,0,0,0|0,0,0]=2
11  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [2,0,0,0,0,0|2,0,0]=4
12  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [2,0,0,0,0,0|0,1,0]=3
13  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [2,0,0,0,0,0|0,0,0]=2
14  B8R0.7  N#CCCNCC(=O)O HY-W141891 [1,1,0,0,0,0|2,0,0]=4
15  B8R0.2  CCC(O)C(N)C(=O)O HY-W142133 [1,1,0,0,0,0|0,0,0]=2
16  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [1,1,0,0,0,0|0,0,0]=2
17  B8R0.23  CC(C)CC(N)C(=O)O HY-B1674R [1,1,0,0,0,0|0,0,0]=2
18  B8R0.23  CC(C)C[C@@H](N)C(=O)O HY-Y0378R [1,1,0,0,0,0|0,0,0]=2
19  B8R0.23  NC(CC(=O)O)C(=O)O HY-W015824R [1,1,0,0,0,0|0,1,1]=4
20  B8R0.23  N[13C](=O)[13CH2][13C@H](N)[13C](=O)O HY-N0667S3 [1,1,0,0,0,0|0,1,1]=4
21  B8R0.23  N[C@@H]([13CH2]C(=O)O)C(=O)O HY-N0666S10 [1,1,0,0,0,0|0,1,1]=4
22  B8R0.23  N[C@H](CC(=O)O)C(=O)O HY-42068R [1,1,0,0,0,0|0,1,1]=4
23  B10R0.82  COC(=O)CC[C@H](N)C(=O)O HY-W013678R [0,2,0,0,0,0|0,1,0]=3
24  B10R0.92  CP(=O)(O)CCC(N)C(=O)O HY-W019870A [0,2,0,0,0,0|1,0,0]=3
25  B10R0.92  CP(=O)(O)CCC(N)C(=O)O HY-W019870R [0,2,0,0,0,0|1,0,0]=3
26  B10R0.98  CC(C)CCCC(C)C(=O)O HY-W674311 [0,2,0,0,0,0|2,0,0]=4
27  B8R1.7  O=C(O)C1CSCN1 HY-B1169R [1,0,0,1,0,0|1,0,0]=3
28  B8R1.23  O=C1C[C@H](C(=O)O)N1 HY-W061629 [1,0,0,1,0,0|0,1,1]=4
29  B10R1.15  COC(=O)C1CCCCC1 HY-W007704R [0,1,0,1,0,0|2,0,0]=4