0  B7R0.1  CCSCCSCC CSC000031094 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.1  CCCCS(=O)CCO CSC000117714 [0,1,0,0,0,0|1,0,2]=4
2  B8R0.4  CCCCCCCSC CSC000033844 [0,1,0,0,0,0|0,1,1]=3
3  B8R0.4  CCCCCCSCC CSC000073868 [0,1,0,0,0,0|1,0,1]=3
4  B8R0.4  CCCCCSCCO CSC011215970 [0,1,0,0,0,0|0,0,2]=3
5  B8R0.4  CCCCSCCCC CSC000025195 [0,1,0,0,0,0|1,0,1]=3
6  B8R0.4  CCSCCOCCO CSC011409966 [0,1,0,0,0,0|1,0,2]=4
7  B8R0.4  CSCCCCCCO CSC012179070 [0,1,0,0,0,0|0,0,2]=3
8  B8R0.4  CSCCCCCSC CSC009866234 [0,1,0,0,0,0|2,0,0]=3
9  B8R0.7  CCCCSCC(=C)C CSC000026947 [0,1,0,0,0,0|2,0,0]=3
10  B8R0.7  CCCCSCC(C)C CSC000018356 [0,1,0,0,0,0|2,0,1]=4
11  B9R0.18  CCCCN(C)CCCC CSC000020957 [0,2,0,0,0,0|1,0,1]=4
12  B9R0.18  CCCCN(C)CCCN CSC011191814 [0,2,0,0,0,0|1,0,1]=4
13  B9R0.18  CCCCS(=O)CCCC CSC000031468 [0,2,0,0,0,0|1,0,1]=4
14  B9R0.48  CCOC(=O)CCC(=O)C CSC011212338 [0,2,0,0,0,0|1,0,1]=4
15  B9R0.2  CCC=CCCOC(=O)C CSC015190845 [0,2,0,0,0,0|0,0,2]=4
16  B9R0.2  CCCCCCCC(=O)N CSC011216093 [0,2,0,0,0,0|0,0,0]=2
17  B9R0.2  CCCCCCOC(=O)C CSC000032130 [0,2,0,0,0,0|0,0,0]=2
18  B9R0.2  CCOCCCNC(=O)C CSC000161218 [0,2,0,0,0,0|1,0,0]=3
19  B9R0.45  CCCCCCSCCO CSC011304839 [0,2,0,0,0,0|0,0,2]=4
20  B9R0.45  CCCCSCCOCC CSC000053094 [0,2,0,0,0,0|1,0,1]=4
21  B9R0.45  CCSCCCCSCC CSC000116838 [0,2,0,0,0,0|1,0,1]=4
22  B9R0.45  CSCCCCCCSC CSC000036278 [0,2,0,0,0,0|0,1,1]=4
23  B9R0.46  CCC(=O)NCCCOC CSC000159236 [0,2,0,0,0,0|2,0,0]=4
24  B9R0.46  CCCCCCC(=O)NN CSC011221127 [0,2,0,0,0,0|0,0,0]=2
25  B9R0.46  CCCCCCC(=O)OC CSC011215249 [0,2,0,0,0,0|0,0,0]=2
26  B9R0.46  CCCCCNC(=O)CC CSC000157985 [0,2,0,0,0,0|1,0,0]=3
27  B9R0.46  CCCCCOC(=O)CC CSC000031694 [0,2,0,0,0,0|1,0,0]=3
28  B9R0.46  CCCCSCC(O)CO CSC011995958 [0,2,0,0,0,0|0,0,2]=4
29  B9R0.46  CNC(=O)NCCCOC CSC000235188 [0,2,0,0,0,0|2,0,0]=4
30  B9R0.1  COC(=O)CCCC(=O)C CSC000015542 [0,2,0,0,0,0|1,0,1]=4
31  B9R0.47  CCCCNC(=O)C(=O)N CSC000124963 [0,2,0,0,0,0|1,0,1]=4
32  B9R0.47  CNCCCN(C)C(=O)C CSC012025734 [0,2,0,0,0,0|2,0,0]=4
33  B9R0.38  CCCCCNS(=O)(=O)C CSC000180709 [0,2,0,0,0,0|2,0,0]=4
34  B9R0.55  CC(=O)CCCOC(=O)C CSC000031019 [0,2,0,0,0,0|1,0,1]=4
35  B9R0.55  CC(C)OCCOC(=O)C CSC000006670 [0,2,0,0,0,0|2,0,0]=4
36  B9R0.55  CN(C)CCCNC(=O)C CSC000159965 [0,2,0,0,0,0|2,0,0]=4
37  B9R1.6  CC(=O)N1CCSCC1 CSC011323056 [0,1,0,1,0,0|2,0,0]=4
38  B9R1.6  NC(=O)C1CCSCC1 CSC000072764 [0,1,0,1,0,0|1,0,0]=3
39  B9R1.6  NC(=O)N1CCOCC1 CSC000189380 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.13  CC(=O)NC1CCSC1 CSC012483018 [0,1,0,1,0,0|2,0,0]=4
41  B9R1.13  CS(=O)CC1CCCO1 CSC009859342 [0,1,0,1,0,0|2,0,0]=4
42  B9R1.24  CCN1CCCS1(=O)=O CSC020629780 [0,1,0,1,0,0|2,0,0]=4