0  B22R0.37843  CCCCCCCCCCCCCCCCCCNCCCN PH000570 [0,0,0,0,0,0|2,0,0]=2
1  B22R0.37843  CCCCCCCCCCCCCCCCCCOCCC#N S562599 [0,0,0,0,0,0|2,0,1]=3
2  B22R0.37843  CCCCCCCCCCCNCCCCCCCCCCC S516511 [0,0,0,0,0,0|2,0,0]=2
3  B22R0.37843  CCCCCCCCCCCSCCCCCCCCCCC S546941 [0,0,0,0,0,0|2,0,0]=2
4  B22R0.37843  CCCCCCCCCCOCOCCCCCCCCCC S578088 [0,0,0,0,0,0|3,0,0]=3
5  B21R0.36664  CCCCCCCCCCCCCCCCCCNCCN PH003617 [1,0,0,0,0,0|2,0,0]=3
6  B21R0.36664  CCCCCCCCCCCCCCCCCCNCCO PH003352 [1,0,0,0,0,0|1,0,0]=2
7  B23R0.18719  CCCCCCCCCCCCCC(=O)CCCCCCCCC S562904 [0,1,0,0,0,0|1,0,1]=3
8  B23R0.18719  CCCCCCCCCCCCNC(=O)CCCCCCCCC R594989 [0,1,0,0,0,0|2,0,1]=4
9  B23R0.36685  CCCCCCCCCCCC(=O)CCCCCCCCCCC S411280 [0,1,0,0,0,0|1,0,1]=3
10  B23R0.36743  CCCCCCCCCCCCCCCCCC(=O)CCCCC S562912 [0,1,0,0,0,0|1,0,1]=3
11  B23R0.36743  CCCCCCCCCCCCCCCCCC(=O)NNCCO S547883 [0,1,0,0,0,0|2,0,1]=4
12  B23R0.36959  C=CCCCCCCCCCCCCCCCCCCCC(=O)O S871044 [0,1,0,0,0,0|0,0,3]=4
13  B23R0.36959  CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O S567590 [0,1,0,0,0,0|0,0,3]=4
14  B23R1.38917  CCCCCCCCCCCCCCCCCC1SCCCS1 S489506 [0,0,0,1,0,0|1,1,0]=3
15  B23R1.38917  CCCCCCCCCCCCCCCCNC1CCCCC1 S598836 [0,0,0,1,0,0|2,0,0]=3
16  B20R0.2932  CCCCCCCCCCCCCCCCNCCCN PH000539 [2,0,0,0,0,0|2,0,0]=4
17  B20R0.2932  CCCCCCCCCCOCCCCCCCCCC S345237 [2,0,0,0,0,0|1,0,0]=3
18  B20R0.2932  [SiH2](CCCC)CCCCCCCCCCCCCCCC S831476 [2,0,0,0,0,0|0,1,0]=3
19  B20R0.2932  [SiH2](CCCCCCCCCC)CCCCCCCCCC S837784 [2,0,0,0,0,0|0,1,0]=3
20  B22R0.54  CCCCCCCCCCCCCCCCCCC(=O)OCC S572861 [1,1,0,0,0,0|1,0,1]=4
21  B22R0.37964  CCCCCCCCCCCCCCCCCCNC(=O)CC S833282 [1,1,0,0,0,0|1,0,1]=4
22  B24R0.2855  CCCCCCCCCCCCOCCCCCCCCCCCC S347930 [0,2,0,0,0,0|1,0,0]=3
23  B24R0.2855  CCCCCCCCCCCC[Hg]CCCCCCCCCCCC S835161 [0,2,0,0,0,0|1,0,0]=3
24  B24R0.17551  CCCCCCCCC(Br)CCCCCCCCCCCCC(=O)O T330523 [0,2,0,0,0,0|0,0,1]=3
25  B24R0.25114  CCCCCCCCCCCC(=NO)CCCCCCCCCCC S553700 [0,2,0,0,0,0|1,0,1]=4
26  B24R1.55667  CCCCCCCCCCCCCCCCCCN1CCCCC1 S983330 [0,1,0,1,0,0|1,0,0]=3
27  B24R1.55667  CCCCCCCCCCCCCCCCCCN1CCOCC1 S234710 [0,1,0,1,0,0|2,0,0]=4
28  B24R1.55667  CCCCCCCCCCCCCCCCCCN1CCOCC1 S236284 [0,1,0,1,0,0|2,0,0]=4