0  B3R0.1  NCCS DB00847 [0,0,0,0,0,0|1,0,0]=1
1  B2R0.1  CCO DB00898 [1,0,0,0,0,0|1,0,0]=2
2  B2R0.1  Cl[Cu]Cl DB09131 [1,0,0,0,0,0|3,0,0]=4
3  B2R0.1  O=C=O DB09157 [1,0,0,0,0,0|2,0,1]=4
4  B2R0.1  S=[Se]=S DB00971 [1,0,0,0,0,0|3,0,0]=4
5  B2R0.1  [O-]N=O DB09112 [1,0,0,0,0,0|3,0,0]=4
6  B2R0.1  [O-][N+]#N DB06690 [1,0,0,0,0,0|2,0,1]=4
7  B4R0.1  CC(=O)NO DB00551 [0,1,0,0,0,0|2,0,1]=4
8  B4R0.1  NC(=O)NO DB01005 [0,1,0,0,0,0|2,0,1]=4
9  B4R0.1  NCC(O)=O DB00145 [0,1,0,0,0,0|1,0,1]=3
10  B1R0.1  N#N DB09152 [2,0,0,0,0,0|1,0,1]=4
11  B1R0.1  O=O DB09140 [2,0,0,0,0,0|2,0,0]=4
12  B1R0.1  O=[Mg] DB01377 [2,0,0,0,0,0|2,0,0]=4
13  B1R0.1  O=[Zn] DB09321 [2,0,0,0,0,0|2,0,0]=4
14  B1R0.1  [N]=O DB00435 [2,0,0,0,0,0|1,0,1]=4
15  B1R0.1  [Na][131I] DB09293 [2,0,0,0,0,0|2,0,0]=4
16  B3R0.2  CC(C)O DB02325 [1,1,0,0,0,0|0,0,0]=2
17  B3R0.2  CC([O-])=O DB00258 [1,1,0,0,0,0|1,0,1]=4
18  B3R0.2  CC([O-])=O DB03166 [1,1,0,0,0,0|1,0,1]=4
19  B3R0.2  CC([O-])=O DB09395 [1,1,0,0,0,0|1,0,1]=4
20  B3R0.2  CS(C)=O DB01093 [1,1,0,0,0,0|1,0,0]=3
21  B3R0.2  NC(N)=N DB00536 [1,1,0,0,0,0|1,0,1]=4
22  B3R0.2  N[13C](O)=N DB09510 [1,1,0,0,0,0|1,0,1]=4
23  B3R0.2  N[14C](N)=O DB09513 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.3  OCC(O)CO DB09462 [0,2,0,0,0,0|1,0,0]=3
25  B5R0.3  OCC(S)CS DB06782 [0,2,0,0,0,0|1,0,0]=3
26  B5R0.5  CC(O)C(O)=O DB04398 [0,2,0,0,0,0|1,0,1]=4
27  B5R0.5  CC(O)C([O-])=O DB06768 [0,2,0,0,0,0|1,0,1]=4
28  B5R0.5  C[C@H](N)C(O)=O DB00160 [0,2,0,0,0,0|1,0,1]=4
29  B5R1.3  ClCC1CO1 DB00658 [0,1,0,1,0,0|1,0,0]=3