0  B13R0.280  CCCCCCCCCCP(=O)(O)O T333360 [0,0,0,0,0,0|2,0,0]=2
1  B13R0.280  CCCCCCCCCCS(=O)(=O)Cl CDS001203 [0,0,0,0,0,0|3,0,0]=3
2  B12R0.234  CC(=O)NCCCCCCCCN S233641 [1,0,0,0,0,0|3,0,0]=4
3  B12R0.234  CCCCCCCCCCC(=N)N PH012196 [1,0,0,0,0,0|3,0,0]=4
4  B12R0.234  CCCCCCCCCOC(=O)C S364258 [1,0,0,0,0,0|2,0,0]=3
5  B12R0.234  CCCCCCCCNCC(=O)N PH010602 [1,0,0,0,0,0|3,0,0]=4
6  B12R0.234  CCCCCCCCOCC(=O)O PH010016 [1,0,0,0,0,0|3,0,0]=4
7  B14R0.94  CCCCCCNCC(O)C[N+](C)(C)C S983268 [0,1,0,0,0,0|2,1,0]=4
8  B14R0.94  CCCCCCSCC(O)C[N+](C)(C)C S985430 [0,1,0,0,0,0|2,1,0]=4
9  B11R0.148  CCCCCCCCC=C(C)C T293466 [2,0,0,0,0,0|1,0,1]=4
10  B11R0.148  CCCCCCCCCC(=O)N S549878 [2,0,0,0,0,0|2,0,0]=4
11  B11R0.148  CCCCCCCCCC(C)Br S452572 [2,0,0,0,0,0|2,0,0]=4
12  B11R0.148  CCCCCCCCCC(C)N S540293 [2,0,0,0,0,0|2,0,0]=4
13  B11R0.3  CCCCCCCCCCC#N R750212 [2,0,0,0,0,0|2,0,0]=4
14  B11R0.3  CCCCCCCCCCSC S540161 [2,0,0,0,0,0|1,0,0]=3
15  B11R0.3  CCCCCCCCCC[Hg]Cl S572586 [2,0,0,0,0,0|2,0,0]=4
16  B11R0.3  CCCCCCCCCSCC S547158 [2,0,0,0,0,0|2,0,0]=4
17  B11R0.3  COCCCCCCCCOC S344400 [2,0,0,0,0,0|2,0,0]=4
18  B13R0.54  CCCCCCCCCCOC(=O)C S359947 [1,1,0,0,0,0|1,0,0]=3
19  B13R0.54  CCCCCCCCCNCC(=O)O PH014167 [1,1,0,0,0,0|2,0,0]=4
20  B13R0.54  CCCCCCCCOCCC(=O)O S530719 [1,1,0,0,0,0|2,0,0]=4
21  B13R0.54  CCCCCCCCSCCC(=O)O S233579 [1,1,0,0,0,0|2,0,0]=4
22  B13R0.54  CCCCSCCCCCCC(=O)O R397334 [1,1,0,0,0,0|2,0,0]=4
23  B13R0.147  CCCCCCCCCCC([NH3+])CO L498645 [1,1,0,0,0,0|2,0,0]=4
24  B13R0.147  CCCCCCCCCOC(=O)CS S593966 [1,1,0,0,0,0|2,0,0]=4
25  B13R0.150  CCCCCCCCCC(=O)N(C)C CDS001534 [1,1,0,0,0,0|0,1,1]=4
26  B13R0.150  CCCCCCCCCC(C)C(=O)O PH003560 [1,1,0,0,0,0|2,0,0]=4
27  B13R0.150  CCCCCCCCCC(C)N(C)C PH000851 [1,1,0,0,0,0|0,1,0]=3
28  B13R0.179  CC(Br)CCCCCCCCC(=O)O L203696 [1,1,0,0,0,0|2,0,0]=4
29  B15R0.254  CCCCCCCCCCCC(C)(O)CC S578177 [0,2,0,0,0,0|1,0,1]=4
30  B13R1.380  CCCC1CCCCC1CC(=O)O L128902 [1,0,0,1,0,0|2,0,0]=4
31  B15R1.15405  CCC1(CCCCCCCCCCC1)O S578126 [0,1,0,1,0,0|1,0,1]=4