0  B8R0.4  CCCCCCCSC S570729 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.4  CCCCCCC[Hg]Cl S572500 [0,0,0,0,0,0|4,0,0]=4
2  B8R0.4  CSCCCCCCO S931667 [0,0,0,0,0,0|1,1,1]=3
3  B8R0.4  CSCCCCCSC S375896 [0,0,0,0,0,0|3,0,0]=3
4  B7R0.1  CCCCCC[Hg]Cl S572519 [1,0,0,0,0,0|3,0,0]=4
5  B7R0.1  CCCCCON=O CDS000385 [1,0,0,0,0,0|2,1,0]=4
6  B7R0.1  CNCCCCCO PH007838 [1,0,0,0,0,0|1,1,1]=4
7  B7R0.1  COCCCCCO PH003271 [1,0,0,0,0,0|0,2,1]=4
8  B7R0.1  COCCCN=C=S S648965 [1,0,0,0,0,0|0,1,0]=2
9  B9R0.5  CCOC(=O)CCN=C=S CDS000897 [0,1,0,0,0,0|2,0,1]=4
10  B9R0.45  CCCCCCCN=C=S PH011071 [0,1,0,0,0,0|1,0,0]=2
11  B9R0.45  CCSCCCCSCC S347833 [0,1,0,0,0,0|2,0,1]=4
12  B9R0.45  CSCCCCCCSC S347825 [0,1,0,0,0,0|1,0,2]=4
13  B9R1.12  O=C=NCC1CCCO1 CDS023181 [0,0,0,1,0,0|2,1,0]=4
14  B9R1.12  S=C=NCC1CCCO1 S648973 [0,0,0,1,0,0|2,0,0]=3
15  B6R0.6  CCCCCSC S357952 [2,0,0,0,0,0|0,0,1]=3
16  B6R0.6  COCCN=C=O CBR02010 [2,0,0,0,0,0|0,2,0]=4
17  B10R0.1  CCCCCC[C@@H](C)N=C=O CDS001056 [0,2,0,0,0,0|1,1,0]=4
18  B10R0.71  CCCCCCCCN=C=S CDS013725 [0,2,0,0,0,0|1,0,0]=3
19  B8R1.8  S=C=NC1CCCC1 CDS000716 [1,0,0,1,0,0|0,0,0]=2
20  B10R1.21  S=C=NCCC1CCCC1 PH014423 [0,1,0,1,0,0|1,0,0]=3