0  B4R0.2  CCO[13CH]=O HY-W747621 [0,0,0,0,0,0|0,0,0]=0
1  B4R0.2  O=NOO[Na] HY-155386 [0,0,0,0,0,0|3,0,0]=3
2  B3R0.1  O=CC=O HY-Y0785 [1,0,0,0,0,0|1,0,1]=3
3  B3R0.1  OCCO HY-Y0873B1 [1,0,0,0,0,0|1,0,2]=4
4  B5R0.3  CCC(=O)O[Na] HY-B1773AR [0,1,0,0,0,0|3,0,0]=4
5  B5R0.3  O=C[C@H](O)CO HY-W008507 [0,1,0,0,0,0|2,0,0]=3
6  B5R0.3  O=[13CH][13CH](O)[13CH2]O HY-128748S4 [0,1,0,0,0,0|2,0,0]=3
7  B2R0.1  C=CO HY-Y0850U7 [2,0,0,0,0,0|1,0,0]=3
8  B2R0.1  C=CO HY-Y0850U9 [2,0,0,0,0,0|1,0,0]=3
9  B2R0.1  CC#[15N] HY-W750600 [2,0,0,0,0,0|1,0,1]=4
10  B2R0.1  [15NH2][13CH]=O HY-Y0842S2 [2,0,0,0,0,0|1,0,0]=3
11  B4R0.1  C=CC(=O)O HY-W243303J [1,1,0,0,0,0|0,0,2]=4
12  B4R0.1  C=CC(N)=O HY-W115727D [1,1,0,0,0,0|0,0,2]=4
13  B4R0.1  CC(O)CN HY-W015969R [1,1,0,0,0,0|1,0,1]=4
14  B4R0.1  CC[C@@H](C)O HY-W087952R [1,1,0,0,0,0|0,0,2]=4
15  B4R0.1  C[C@H](O)CO HY-79334R [1,1,0,0,0,0|0,0,2]=4
16  B4R0.1  O=P(=O)OO HY-B2243H [1,1,0,0,0,0|2,0,0]=4
17  B6R0.1  CCOC(=O)CN HY-148666 [0,2,0,0,0,0|0,0,0]=2
18  B6R0.1  CCOC(=O)[13CH2]N HY-76204S [0,2,0,0,0,0|0,0,0]=2
19  B6R0.2  CC(=O)NC(C)=O HY-W130303 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.2  C[C@@H](O)CC(=O)O HY-W051723R [0,2,0,0,0,0|1,0,0]=3
21  B6R0.3  CCC(Br)C(=O)O HY-W015333R [0,2,0,0,0,0|1,0,0]=3
22  B6R0.3  CCC(N)C(=O)O HY-W010590R [0,2,0,0,0,0|1,0,0]=3
23  B6R0.3  C[C@@H](CN)C(=O)O HY-113380R [0,2,0,0,0,0|2,0,0]=4
24  B6R0.3  C\C=C(/C)C(=O)O HY-W012999R [0,2,0,0,0,0|1,0,1]=4
25  B6R0.3  N[13C@@H](CO)C(=O)O HY-N0650S4 [0,2,0,0,0,0|2,0,0]=4
26  B6R0.3  N[C@H](CS)C(=O)O HY-W018555R [0,2,0,0,0,0|2,0,0]=4
27  B6R0.6  C\C=C\C=C\C=O HY-W068035 [0,2,0,0,0,0|1,0,1]=4
28  B6R1.2  O=C1CCOC1 HY-33900R [0,1,0,1,0,0|0,0,0]=2