0  B4R0.1  CC(O)CN HY-W015969R [0,0,0,0,0,0|1,0,0]=1
1  B4R0.1  CC[C@@H](C)O HY-W087952R [0,0,0,0,0,0|2,0,0]=2
2  B4R0.1  C[C@H](O)CO HY-79334R [0,0,0,0,0,0|2,0,0]=2
3  B4R0.1  N=C(N)NN HY-B1041R [0,0,0,0,0,0|3,0,1]=4
4  B3R0.1  OCCO HY-Y0873B1 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.3  O=C(CO)CO HY-Y0335R [0,1,0,0,0,0|2,0,1]=4
6  B5R0.3  O=C[C@H](O)CO HY-W008507 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [0,1,0,0,0,0|2,0,1]=4
8  B5R0.4  C=C[N+](C)(C)C HY-W106467 [0,1,0,0,0,0|2,0,1]=4
9  B5R0.5  CC(=O)N(C)C HY-W042416R [0,1,0,0,0,0|2,0,1]=4
10  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [0,1,0,0,0,0|2,0,1]=4
11  B2R0.1  CC#[15N] HY-W750600 [2,0,0,0,0,0|0,0,2]=4
12  B2R0.1  [15NH2][13CH]=O HY-Y0842S2 [2,0,0,0,0,0|1,0,1]=4
13  B4R0.2  CCO[13CH]=O HY-W747621 [1,1,0,0,0,0|1,0,1]=4
14  B4R0.3  C[N+](C)(C)C HY-W127671 [1,1,0,0,0,0|1,0,0]=3
15  B6R0.1  CCOC(=O)CN HY-148666 [0,2,0,0,0,0|1,0,1]=4
16  B6R0.1  CCOC(=O)[13CH2]N HY-76204S [0,2,0,0,0,0|1,0,1]=4
17  B6R0.2  CC(C)CC(C)N HY-W114255 [0,2,0,0,0,0|0,0,0]=2
18  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [0,2,0,0,0,0|2,0,0]=4
19  B6R0.3  COC(=O)C(C)C HY-172377A [0,2,0,0,0,0|1,0,1]=4
20  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [0,2,0,0,0,0|0,0,1]=3
21  B6R0.7  CC(C)(N)C(=O)O HY-Y0124R [0,2,0,0,0,0|1,0,1]=4