0  B4R0.1  C=CC(=O)O HY-W243303J [1,0,0,0,0,0|0,0,0]=1
1  B4R0.1  C=CC(N)=O HY-W115727D [1,0,0,0,0,0|1,0,0]=2
2  B4R0.1  CC[C@@H](C)O HY-W087952R [1,0,0,0,0,0|1,0,2]=4
3  B4R0.2  CCO[13CH]=O HY-W747621 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.1  CCOC(=O)CN HY-148666 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  CCOC(=O)[13CH2]N HY-76204S [0,1,0,0,0,0|2,0,1]=4
6  B6R0.1  COC(=O)N=C=O HY-W178414 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.2  CC(=O)NC(C)=O HY-W130303 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [0,1,0,0,0,0|0,0,2]=3
9  B6R0.2  O=C(O)C=C(Br)Br HY-133653 [0,1,0,0,0,0|1,0,0]=2
10  B6R0.3  CCC(Br)C(=O)O HY-W015333R [0,1,0,0,0,0|0,0,2]=3
11  B6R0.3  CCC(N)C(=O)O HY-W010590R [0,1,0,0,0,0|0,0,2]=3
12  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [0,1,0,0,0,0|1,0,2]=4
13  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,1,0,0,0,0|0,0,0]=1
14  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [0,1,0,0,0,0|1,0,2]=4
15  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [0,1,0,0,0,0|1,0,2]=4
16  B6R1.2  O=C1CCOC1 HY-33900R [0,0,0,1,0,0|2,0,1]=4
17  B3R0.1  O=CC=O HY-Y0785 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.3  CCC(=O)O[Na] HY-B1773AR [1,1,0,0,0,0|0,0,1]=3
19  B5R0.3  O=C(CO)CO HY-Y0335R [1,1,0,0,0,0|1,0,1]=4
20  B5R0.5  CC(=O)N(C)C HY-W042416R [1,1,0,0,0,0|2,0,0]=4
21  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [1,1,0,0,0,0|0,0,1]=3
22  B7R0.2  C[C@@H](O)CC(=O)O[Na] HY-W015851R [0,2,0,0,0,0|0,0,2]=4
23  B7R0.3  C\C=C\CC(=O)OC HY-W127411 [0,2,0,0,0,0|0,0,0]=2
24  B7R0.5  CCCC(=O)C(=O)O HY-113098R [0,2,0,0,0,0|0,0,1]=3
25  B7R0.5  CCOC(=O)C(C)=O HY-Y1362R [0,2,0,0,0,0|1,0,1]=4
26  B7R0.5  NCC[C@H](N)C(=O)O HY-101414R [0,2,0,0,0,0|0,0,2]=4
27  B7R0.16  CC(C)C(O)C(=O)O HY-W008150R [0,2,0,0,0,0|0,0,2]=4
28  B7R0.16  CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [0,2,0,0,0,0|0,0,2]=4
29  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O HY-N0658AR [0,2,0,0,0,0|0,0,2]=4
30  B7R0.16  [13CH3][13CH]([13C](=O)O)[13C](=O)O HY-103395S1 [0,2,0,0,0,0|1,0,1]=4
31  B7R0.15  CCC(CC)C(=O)O HY-W004154R [0,2,0,0,0,0|0,0,2]=4
32  B7R0.4  NCCCCC(=O)O HY-W015878R [0,2,0,0,0,0|0,0,2]=4
33  B7R0.6  O=C(O)[13CH2][13CH2]C(=O)O HY-N0420S4 [0,2,0,0,0,0|1,0,1]=4
34  B7R1.1  O=CC1=CC=CN1 HY-77817R [0,1,0,1,0,0|1,0,1]=4
35  B7R1.3  O=C1C=CC=CN1 HY-Y0191R [0,1,0,1,0,0|1,0,1]=4
36  B7R1.3  OC1=CC=CN=C1 HY-Y1129R [0,1,0,1,0,0|1,0,1]=4