0  B13R0.280  CCCCCCCCCCP(=O)(O)O T333360 [0,0,0,0,0,0|1,0,1]=2
1  B13R0.280  CCCCCCCCCCS(=O)(=O)Cl CDS001203 [0,0,0,0,0,0|1,0,0]=1
2  B12R0.234  CCCCCCCCCCC(=N)N PH012196 [1,0,0,0,0,0|3,0,0]=4
3  B12R0.234  CCCCCCCCCOC(=O)C S364258 [1,0,0,0,0,0|3,0,0]=4
4  B12R0.234  CCCCCCCCNCC(=O)N PH010602 [1,0,0,0,0,0|3,0,0]=4
5  B12R0.234  CCCCCCCCOCC(=O)O PH010016 [1,0,0,0,0,0|2,0,0]=3
6  B12R0.234  N#CCCCCCCCCC(=O)O S367591 [1,0,0,0,0,0|2,0,1]=4
7  B11R0.148  CCCCCCCCCC(=O)N S549878 [2,0,0,0,0,0|2,0,0]=4
8  B11R0.148  O=C(O)CCCCCCCCBr T333328 [2,0,0,0,0,0|2,0,0]=4
9  B11R0.148  O=C(O)CCCCCCCCO CDS018651 [2,0,0,0,0,0|2,0,0]=4
10  B11R0.159  CCCCCCCCS(=O)(=O)N PH010261 [2,0,0,0,0,0|1,0,0]=3
11  B11R0.159  CCCCCCCNS(=O)(=O)C T170321 [2,0,0,0,0,0|2,0,0]=4
12  B11R0.3  CCCCCCCCCCC#N R750212 [2,0,0,0,0,0|2,0,0]=4
13  B11R0.3  CCCCCCCCCCSC S540161 [2,0,0,0,0,0|1,0,1]=4
14  B11R0.3  CCCCCCCCCC[Hg]Cl S572586 [2,0,0,0,0,0|2,0,0]=4
15  B13R0.1  CCCCCCC(=O)CCCC(=O)O S580511 [1,1,0,0,0,0|1,0,1]=4
16  B13R0.54  CCCCCCCCCCOC(=O)C S359947 [1,1,0,0,0,0|2,0,0]=4
17  B13R0.54  CCCCCCCCCNCC(=O)O PH014167 [1,1,0,0,0,0|1,0,0]=3
18  B13R0.54  CCCCCCCCOCCC(=O)O S530719 [1,1,0,0,0,0|1,0,0]=3
19  B13R0.54  CCCCCCCCSCCC(=O)O S233579 [1,1,0,0,0,0|1,0,0]=3
20  B13R0.54  CCCCSCCCCCCC(=O)O R397334 [1,1,0,0,0,0|1,0,0]=3
21  B13R0.147  CCCCCCCCCCC([NH3+])CO L498645 [1,1,0,0,0,0|2,0,0]=4
22  B13R0.150  CCCCCCCCCC(C)C(=O)O PH003560 [1,1,0,0,0,0|1,0,0]=3
23  B13R0.179  CC(=O)CCCCCCCCC(=O)O S826499 [1,1,0,0,0,0|1,0,1]=4
24  B13R0.179  CC(Br)CCCCCCCCC(=O)O L203696 [1,1,0,0,0,0|1,0,0]=3
25  B15R0.252  CCCCCCCCCCCCS(=O)(=O)Cl CDS001450 [0,2,0,0,0,0|1,0,0]=3
26  B13R1.3523  O=S(=O)(O)CCCN1CCCCC1 S551732 [1,0,0,1,0,0|1,0,0]=3
27  B13R1.380  CCCC1CCCCC1CC(=O)O L128902 [1,0,0,1,0,0|1,0,0]=3