0  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963R [0,0,0,0,0,0|0,0,4]=4
1  B8R1.7  O=C(O)C1CSCN1 HY-B1169R [0,0,0,0,0,0|1,0,0]=1
2  B7R1.1  OC[C@@H]1CCCN1 HY-Y1126R [1,0,0,0,0,0|0,0,1]=2
3  B9R1.35  O=C1CC[C@H](C(=O)O)N1 HY-W002304R [0,1,0,0,0,0|0,0,1]=2
4  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O HY-W089091 [0,1,0,0,0,0|1,0,0]=2
5  B7R0.4  NCCCCC(=O)O HY-W015878R [0,0,1,0,0,0|0,0,0]=1
6  B7R0.5  CCCC(=O)C(=O)O HY-113098R [0,0,1,0,0,0|1,0,1]=3
7  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [0,0,1,0,0,0|1,0,0]=2
8  B7R0.15  CCC(CC)C(=O)O HY-W004154R [0,0,1,0,0,0|1,0,0]=2
9  B6R0.3  CCC(Br)C(=O)O HY-W015333R [1,0,1,0,0,0|1,0,0]=3
10  B6R0.3  CCC(N)C(=O)O HY-W010590R [1,0,1,0,0,0|0,0,0]=2
11  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [1,0,1,0,0,0|1,0,0]=3
12  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [1,0,1,0,0,0|0,0,2]=4
13  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [1,0,1,0,0,0|1,0,0]=3
14  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [1,0,1,0,0,0|1,0,0]=3
15  B8R0.5  CCOC(=O)CC(=O)O HY-Y1031R [0,1,1,0,0,0|2,0,0]=4
16  B8R0.7  N#CCCNCC(=O)O HY-W141891 [0,1,1,0,0,0|0,0,1]=3
17  B8R0.8  CSCCC(N)C(=O)O HY-N0325R [0,1,1,0,0,0|2,0,0]=4
18  B8R0.8  CSCC[C@@H](N)C(=O)O HY-13694R [0,1,1,0,0,0|2,0,0]=4
19  B8R0.9  C=CC(N)CCC(=O)O HY-15399R [0,1,1,0,0,0|1,0,1]=4
20  B8R0.28  NC(=O)NCCC(=O)O HY-113285R [0,1,1,0,0,0|1,0,1]=4
21  B8R0.2  CCC(O)C(N)C(=O)O HY-W142133 [0,1,1,0,0,0|0,0,0]=2
22  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [0,1,1,0,0,0|0,0,0]=2
23  B8R0.23  CC(C)CC(N)C(=O)O HY-B1674R [0,1,1,0,0,0|0,0,0]=2
24  B8R0.23  CC(C)C[C@@H](N)C(=O)O HY-Y0378R [0,1,1,0,0,0|0,0,0]=2
25  B8R0.23  NC(CC(=O)O)C(=O)O HY-W015824R [0,1,1,0,0,0|1,0,1]=4
26  B8R0.23  N[13C](=O)[13CH2][13C@H](N)[13C](=O)O HY-N0667S3 [0,1,1,0,0,0|1,0,1]=4
27  B8R0.23  N[C@@H]([13CH2]C(=O)O)C(=O)O HY-N0666S10 [0,1,1,0,0,0|1,0,1]=4
28  B8R0.23  N[C@H](CC(=O)O)C(=O)O HY-42068R [0,1,1,0,0,0|1,0,1]=4
29  B8R1.23  O=C1C[C@H](C(=O)O)N1 HY-W061629 [0,1,0,0,1,0|0,0,1]=3
30  B10R1.15  COC(=O)C1CCCCC1 HY-W007704R [0,1,0,0,0,1|1,0,0]=3
31  B10R1.14  COC(=O)[C@@H]1CC[C@H](O)C1 HY-W394612 [0,2,0,0,0,0|1,0,0]=3
32  B10R1.128  C[N+]1(C)CCC[C@H]1C(=O)O HY-N0738R [0,2,0,0,0,0|0,0,1]=3
33  B8R1.22  O=C1CCCCCO1 HY-W392100C [0,0,1,1,0,0|1,0,0]=3