0  B7R0.1  CCSCCSCC CSC000031094 [0,0,0,0,0,0|4,0,0]=4
1  B8R0.1  CCCCS(=O)CCO CSC000117714 [0,1,0,0,0,0|2,0,1]=4
2  B8R0.4  CCCCCCCSC CSC000033844 [0,1,0,0,0,0|2,0,0]=3
3  B8R0.4  CCCCCCSCC CSC000073868 [0,1,0,0,0,0|2,0,0]=3
4  B8R0.4  CCCCCSCCO CSC011215970 [0,1,0,0,0,0|2,0,0]=3
5  B8R0.4  CCCCSCCCC CSC000025195 [0,1,0,0,0,0|1,0,0]=2
6  B8R0.4  CCSCCOCCO CSC011409966 [0,1,0,0,0,0|2,1,0]=4
7  B8R0.4  CSCCCCCCO CSC012179070 [0,1,0,0,0,0|3,0,0]=4
8  B8R0.4  CSCCCCCSC CSC009866234 [0,1,0,0,0,0|3,0,0]=4
9  B8R0.6  CCCSCC(=O)OC CSC000151543 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.7  CCCCSCC(=C)C CSC000026947 [0,1,0,0,0,0|1,0,1]=3
11  B8R0.7  CCCCSCC(C)C CSC000018356 [0,1,0,0,0,0|1,0,0]=2
12  B9R0.4  CCCOC(=O)CC(C)C CSC000170144 [0,2,0,0,0,0|1,1,0]=4
13  B9R0.5  CCCC(=O)NCCSC CSC000161292 [0,2,0,0,0,0|2,0,0]=4
14  B9R0.5  CCCCOC(=O)CCC CSC011212260 [0,2,0,0,0,0|1,1,0]=4
15  B9R0.8  CCCOC(=O)C(C)CC CSC011213261 [0,2,0,0,0,0|1,1,0]=4
16  B9R0.18  CCCCC(=O)OCCC CSC000169915 [0,2,0,0,0,0|1,1,0]=4
17  B9R0.18  CCCCN(C)CCCC CSC000020957 [0,2,0,0,0,0|2,0,0]=4
18  B9R0.18  CCCCN(C)CCCN CSC011191814 [0,2,0,0,0,0|2,0,0]=4
19  B9R0.18  CCCCS(=O)CCCC CSC000031468 [0,2,0,0,0,0|1,0,1]=4
20  B9R0.18  CCCNC(=O)NCCC CSC000163711 [0,2,0,0,0,0|2,0,0]=4
21  B9R0.34  CCCC(=O)OC(C)CC CSC000062825 [0,2,0,0,0,0|1,1,0]=4
22  B9R0.48  CCCC(=O)OCC(C)C CSC000005790 [0,2,0,0,0,0|1,1,0]=4
23  B9R0.45  CCCCCCSCCO CSC011304839 [0,2,0,0,0,0|2,0,0]=4
24  B9R0.45  CCCCSCCOCC CSC000053094 [0,2,0,0,0,0|1,0,0]=3
25  B9R0.45  CCSCCCCSCC CSC000116838 [0,2,0,0,0,0|2,0,0]=4
26  B9R0.45  CSCCCCCCSC CSC000036278 [0,2,0,0,0,0|2,0,0]=4
27  B9R0.46  CCCCSCC(O)CO CSC011995958 [0,2,0,0,0,0|1,0,0]=3