0  B4R0.1  C=CC(=O)O HY-W243303J [1,0,0,0,0,0|2,0,1]=4
1  B4R0.1  C=CC(N)=O HY-W115727D [1,0,0,0,0,0|2,0,1]=4
2  B4R0.1  CC(O)CN HY-W015969R [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  CC[C@@H](C)O HY-W087952R [1,0,0,0,0,0|1,0,1]=3
4  B4R0.1  C[C@H](O)CO HY-79334R [1,0,0,0,0,0|2,0,1]=4
5  B4R0.2  CCO[13CH]=O HY-W747621 [1,0,0,0,0,0|2,0,0]=3
6  B6R0.2  CC(=O)NC(C)=O HY-W130303 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.2  CC(C)CC(C)N HY-W114255 [0,1,0,0,0,0|0,0,2]=3
8  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [0,1,0,0,0,0|2,0,1]=4
9  B6R0.3  COC(=O)C(C)C HY-172377A [0,1,0,0,0,0|1,0,0]=2
10  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,1,0,0,0,0|2,0,1]=4
11  B3R0.1  O=CC=O HY-Y0785 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.3  O=C[C@H](O)CO HY-W008507 [1,1,0,0,0,0|2,0,0]=4
13  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [1,1,0,0,0,0|2,0,0]=4
14  B5R0.4  C=C[N+](C)(C)C HY-W106467 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.5  CC(=O)N(C)C HY-W042416R [1,1,0,0,0,0|1,0,0]=3
16  B5R0.5  C[13C@H](O)C(=O)O HY-Y0479S3 [1,1,0,0,0,0|2,0,0]=4
17  B7R0.3  C\C=C\CC(=O)OC HY-W127411 [0,2,0,0,0,0|1,0,1]=4
18  B7R0.9  CC(=O)CC(C)(C)N HY-N3739 [0,2,0,0,0,0|0,0,1]=3
19  B7R0.16  CC(C)C(O)C(=O)O HY-W008150R [0,2,0,0,0,0|1,0,1]=4
20  B7R0.16  CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [0,2,0,0,0,0|1,0,1]=4
21  B7R1.1  OC[C@@H]1CCCN1 HY-Y1126R [0,1,0,1,0,0|1,0,1]=4