0  B19R0.36  CCCCCCCCCCCCCCCCNCCN PH000856 [1,0,0,0,0,0|1,0,1]=3
1  B19R0.36  CCCCCCCCCCCCCCCCSCCO S507377 [1,0,0,0,0,0|1,0,1]=3
2  B19R0.182  CCCCCCCCCCCCNCCC(=O)OCC S553638 [1,0,0,0,0,0|2,0,0]=3
3  B21R0.2971  CCCCCCCCCCCCCCCC(=O)OCCSC S375764 [0,1,0,0,0,0|1,1,0]=3
4  B18R0.221  CCCCCCCCCCCCCCCCCCN R580139 [2,0,0,0,0,0|1,0,1]=4
5  B18R0.221  CCCCCCCCCCCCCCCCCCN S825921 [2,0,0,0,0,0|1,0,1]=4
6  B18R0.221  CCCCCCCCCCCCCCCCCCN S825948 [2,0,0,0,0,0|1,0,1]=4
7  B18R0.221  CCCCCCCCCCCCCCCCCCN S825999 [2,0,0,0,0,0|1,0,1]=4
8  B18R0.221  CCCCCCCCCCCCCCCCCCN S826979 [2,0,0,0,0,0|1,0,1]=4
9  B18R0.221  CCCCCCCCCCCCCCCCCCN S826995 [2,0,0,0,0,0|1,0,1]=4
10  B18R0.221  CCCCCCCCCCCCCCCCCCN S827029 [2,0,0,0,0,0|1,0,1]=4
11  B18R0.221  CCCCCCCCCCCCCCCCCCN S827037 [2,0,0,0,0,0|1,0,1]=4
12  B18R0.221  CCCCCCCCCCCCCCCCCCN S833215 [2,0,0,0,0,0|1,0,1]=4
13  B18R0.221  CCCCCCCCCCCCCCCCCCN S833223 [2,0,0,0,0,0|1,0,1]=4
14  B18R0.221  CCCCCCCCCCCCCCCCCCN S833258 [2,0,0,0,0,0|1,0,1]=4
15  B18R0.110  CCCCCCCCCCCCSCC(=O)OCC S578029 [2,0,0,0,0,0|2,0,0]=4
16  B18R0.171  CCCCCCCCCCCCCCCC(=O)CC S540188 [2,0,0,0,0,0|0,0,0]=2
17  B18R0.171  CCCCCCCCCCCCCCCC(=O)NN S628476 [2,0,0,0,0,0|1,0,0]=3
18  B18R0.171  CCCCCCCCCCCCCCNC(=O)CCl S383708 [2,0,0,0,0,0|2,0,0]=4
19  B18R0.171  CCCCCCCCCCCCNCCC(=O)OC PH005282 [2,0,0,0,0,0|2,0,0]=4
20  B18R0.3155  CCCCCCCCCCCCCC(=O)CCCC S540218 [2,0,0,0,0,0|2,0,0]=4
21  B18R0.3155  CCCCCCCCCCCCCC(=O)NCCC R467529 [2,0,0,0,0,0|1,0,0]=3
22  B18R0.3155  CCCCCCCCCCCCCC(=O)NCCO R548340 [2,0,0,0,0,0|0,0,0]=2
23  B20R0.39  CCCCCCCCCCCCCCCCS(=O)CCO S540269 [1,1,0,0,0,0|1,0,1]=4
24  B20R0.2932  CCCCCCCCCCCCCCCCNCCCN PH000539 [1,1,0,0,0,0|1,0,1]=4
25  B20R0.2931  CCCCCCCCCCCCCCCC(=O)NC(=O)N S821128 [1,1,0,0,0,0|0,0,2]=4
26  B20R0.2931  CCCCCCCCCCCCCCCC(=O)NC(=S)N S813451 [1,1,0,0,0,0|0,1,1]=4
27  B22R0.27187  CCCCCCCCCCCCCCCC(=O)OCCNCC PH012745 [0,2,0,0,0,0|2,0,0]=4