0  B5R0.1  CC(C)=CC=O HY-34409 [0,0,0,0,0,0|1,1,2]=4
1  B5R0.1  CC(C)=CCO HY-W013035 [0,0,0,0,0,0|1,1,2]=4
2  B5R0.1  CC(N)CC#N HY-W018936 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  CC(O)CCO HY-77490A [0,0,0,0,0,0|2,1,1]=4
4  B5R0.1  CN(C)CC=O HY-100061A [0,0,0,0,0,0|2,1,1]=4
5  B5R0.1  C[C@@H](O)CCO HY-77490 [0,0,0,0,0,0|2,1,1]=4
6  B4R0.1  CC(C)=NO HY-W008840 [1,0,0,0,0,0|0,1,1]=3
7  B4R0.1  CC(O)CN HY-W015969 [1,0,0,0,0,0|2,0,1]=4
8  B4R0.1  CC(O)CO HY-Y0921 [1,0,0,0,0,0|1,1,1]=4
9  B4R0.1  CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|2,0,1]=4
10  B4R0.1  C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|1,1,1]=4
11  B4R0.1  C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|2,0,1]=4
12  B4R0.1  C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|1,1,1]=4
13  B6R0.2  CC(C)CB(O)O HY-W000978 [0,1,0,0,0,0|2,1,0]=4
14  B6R0.2  CC(C)CC(=O)O HY-W012980 [0,1,0,0,0,0|1,1,1]=4
15  B6R0.2  CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|1,1,1]=4
16  B6R0.2  CC(C)C[13C](=O)O HY-W012980S1 [0,1,0,0,0,0|1,1,1]=4
17  B6R0.2  CC(C)SC(=N)N HY-101304 [0,1,0,0,0,0|2,0,1]=4
18  B6R0.3  CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|3,0,0]=4
19  B6R0.3  CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|1,1,1]=4
20  B6R0.4  CC(C)CCCO HY-W007511 [0,1,0,0,0,0|1,1,1]=4
21  B6R0.5  CC(C)(C)CCO HY-W012977 [0,1,0,0,0,0|1,1,1]=4
22  B3R0.2  CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,1,0]=3
23  B3R0.2  CC(N)=S HY-Y0698 [2,0,0,0,0,0|1,0,1]=4
24  B3R0.2  CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,1]=4
25  B3R0.2  CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,1]=4
26  B3R0.2  CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,1,0]=4
27  B3R0.2  C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,1]=4
28  B3R0.2  [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,1]=4
29  B5R0.3  CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,1,1]=4
30  B5R0.4  CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|0,1,1]=4
31  B5R0.4  CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|0,1,1]=4
32  B5R0.4  CC(C)(O)CN HY-33948 [1,1,0,0,0,0|1,0,1]=4
33  B5R0.2  [N-]=[N+]=NCCO HY-138461 [1,1,0,0,0,0|2,0,0]=4
34  B5R1.3  BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,1]=4