0  B7R0.1  CCSCCSCC CSC000031094 [0,0,0,0,0,0|3,1,0]=4
1  B8R0.4  CCCCCCCSC CSC000033844 [0,1,0,0,0,0|2,1,0]=4
2  B8R0.4  CCCCCCSCC CSC000073868 [0,1,0,0,0,0|2,1,0]=4
3  B8R0.4  CCCCCSCCO CSC011215970 [0,1,0,0,0,0|1,1,1]=4
4  B8R0.4  CCCCSCCCC CSC000025195 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.4  CCSCCOCCO CSC011409966 [0,1,0,0,0,0|2,0,1]=4
6  B8R0.4  CSCCCCCCO CSC012179070 [0,1,0,0,0,0|2,0,1]=4
7  B8R0.4  CSCCCCCSC CSC009866234 [0,1,0,0,0,0|3,0,0]=4
8  B9R0.5  CCCCCC(=O)OCC CSC000170156 [0,2,0,0,0,0|2,0,0]=4
9  B9R0.2  CCC=CCCOC(=O)C CSC015190845 [0,2,0,0,0,0|1,0,1]=4
10  B9R0.2  CCCCCCCC(=O)N CSC011216093 [0,2,0,0,0,0|2,0,0]=4
11  B9R0.2  CCCCCCOC(=O)C CSC000032130 [0,2,0,0,0,0|1,0,0]=3
12  B9R0.2  CCOCCCNC(=O)C CSC000161218 [0,2,0,0,0,0|2,0,0]=4
13  B9R0.45  CCCCSCCOCC CSC000053094 [0,2,0,0,0,0|2,0,0]=4
14  B9R0.46  CCCCCCC(=O)NN CSC011221127 [0,2,0,0,0,0|2,0,0]=4
15  B9R0.46  CCCCCCC(=O)OC CSC011215249 [0,2,0,0,0,0|2,0,0]=4
16  B9R0.46  CCCCCNC(=O)CC CSC000157985 [0,2,0,0,0,0|2,0,0]=4
17  B9R0.46  CCCCCOC(=O)CC CSC000031694 [0,2,0,0,0,0|1,0,0]=3
18  B9R0.38  CCCCCNS(=O)(=O)C CSC000180709 [0,2,0,0,0,0|2,0,0]=4
19  B9R0.55  CC(=O)CCCOC(=O)C CSC000031019 [0,2,0,0,0,0|1,0,1]=4
20  B9R0.55  CC(C)OCCOC(=O)C CSC000006670 [0,2,0,0,0,0|2,0,0]=4