0  B3R0.1  C=CCN CDS000416 [0,0,0,0,0,0|2,0,2]=4
1  B3R0.1  C=C[Hg]Cl S881899 [0,0,0,0,0,0|3,0,1]=4
2  B3R0.1  CCCC S124796 [0,0,0,0,0,0|3,0,1]=4
3  B3R0.1  CCNC CDS013740 [0,0,0,0,0,0|3,0,1]=4
4  B3R0.1  CC[Hg]Cl S659541 [0,0,0,0,0,0|3,0,1]=4
5  B3R0.1  N#CCN R288616 [0,0,0,0,0,0|2,0,0]=2
6  B3R0.1  NCCN S573019 [0,0,0,0,0,0|2,0,2]=4
7  B3R0.1  [O-]CC[O-] R647071 [0,0,0,0,0,0|2,0,2]=4
8  B2R0.1  Cl[Cu]Cl CDS007432 [1,0,0,0,0,0|3,0,0]=4
9  B4R0.1  C#CC(C)N CDS010388 [0,1,0,0,0,0|3,0,0]=4
10  B4R0.1  CCB(O)O CDS003542 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.1  CSC(=O)C CDS001513 [0,1,0,0,0,0|2,0,1]=4
12  B4R0.1  O=C(O)CS CDS000504 [0,1,0,0,0,0|2,0,1]=4
13  B4R0.1  O=C([O-])CO CDS000626 [0,1,0,0,0,0|2,0,1]=4
14  B4R0.1  O=S(O)O[TlH2] S826111 [0,1,0,0,0,0|2,0,1]=4
15  B4R0.2  C#CCON SYX00221 [0,1,0,0,0,0|2,0,0]=3
16  B4R0.2  CNCC#N CDS000167 [0,1,0,0,0,0|2,0,0]=3
17  B4R0.2  CNCC#N S570885 [0,1,0,0,0,0|2,0,0]=3
18  B4R0.2  CS[PbH2]SC S549991 [0,1,0,0,0,0|3,0,0]=4
19  B4R0.2  N#CCCI PH007185 [0,1,0,0,0,0|2,0,0]=3
20  B4R0.2  N#CCCN CDS007521 [0,1,0,0,0,0|2,0,0]=3
21  B4R0.2  N#CCCS OTV000794 [0,1,0,0,0,0|1,1,0]=3
22  B4R0.2  OC/C=C/Br S880973 [0,1,0,0,0,0|2,0,1]=4
23  B4R0.2  OCCCF CDS002969 [0,1,0,0,0,0|2,0,1]=4
24  B4R0.2  OCNCCl R464872 [0,1,0,0,0,0|2,0,1]=4
25  B3R0.2  BC(=O)O R277436 [1,1,0,0,0,0|1,0,1]=4
26  B3R0.2  CC(=O)O R252506 [1,1,0,0,0,0|1,0,1]=4
27  B3R0.2  CC(=O)O R252999 [1,1,0,0,0,0|1,0,1]=4
28  B5R0.1  CC(Br)CC#N CDS003547 [0,2,0,0,0,0|2,0,0]=4
29  B5R0.3  C=CC(C)C#N PH011344 [0,2,0,0,0,0|2,0,0]=4
30  B5R0.3  N#CC(Cl)CCl PH011445 [0,2,0,0,0,0|2,0,0]=4
31  B5R0.2  C#CCSCC R436380 [0,2,0,0,0,0|2,0,0]=4
32  B5R0.2  C=CSCCO PH007226 [0,2,0,0,0,0|1,0,1]=4
33  B5R0.2  CCSCCO PH011451 [0,2,0,0,0,0|1,0,1]=4
34  B5R0.2  CSCCC#N T160407 [0,2,0,0,0,0|1,0,0]=3
35  B5R0.2  OCCC#CI T240249 [0,2,0,0,0,0|2,0,0]=4