0  B6R0.1  CCCC(=O)NO CSC000190123 [1,0,0,0,0,0|2,1,0]=4
1  B8R0.1  CCCCS(=O)CCO CSC000117714 [0,1,0,0,0,0|2,1,0]=4
2  B8R0.1  CCOC(=O)CCSC CSC000173045 [0,1,0,0,0,0|0,0,0]=1
3  B8R0.1  CCOC(=O)CSCC CSC000172126 [0,1,0,0,0,0|1,0,0]=2
4  B8R0.3  CCOC(=O)C(C)SC CSC000756453 [0,1,0,0,0,0|2,0,0]=3
5  B9R0.4  CC(C)CC(=O)OCC=C CSC000006416 [0,2,0,0,0,0|1,0,1]=4
6  B9R0.4  CC(C)NC(=O)NCCN CSC011374587 [0,2,0,0,0,0|2,0,0]=4
7  B9R0.4  CCCCC(=O)OC(C)C CSC000169914 [0,2,0,0,0,0|1,0,0]=3
8  B9R0.4  CCCNC(=O)NC(C)C CSC000163085 [0,2,0,0,0,0|2,0,0]=4
9  B9R0.4  CCCOC(=O)CC(C)C CSC000170144 [0,2,0,0,0,0|1,0,0]=3
10  B9R0.4  CNCCC(=O)NC(C)C CSC011534604 [0,2,0,0,0,0|2,0,0]=4
11  B9R0.5  CCCC(=O)NCCSC CSC000161292 [0,2,0,0,0,0|1,0,0]=3
12  B9R0.5  CCCCCC(=O)OCC CSC000170156 [0,2,0,0,0,0|1,0,0]=3
13  B9R0.5  CCCCNC(=O)NCC CSC000163430 [0,2,0,0,0,0|2,0,0]=4
14  B9R0.5  CCCCOC(=O)CCC CSC011212260 [0,2,0,0,0,0|1,0,0]=3
15  B9R0.5  CCNC(=O)NCCC#C CSC011979724 [0,2,0,0,0,0|2,0,0]=4
16  B9R0.5  CCNC(=O)NCCOC CSC000163157 [0,2,0,0,0,0|1,1,0]=4
17  B9R0.5  CCOC(=O)CCCC#N CSC009871613 [0,2,0,0,0,0|1,0,0]=3
18  B9R0.5  CCOC(=O)CSCC#N CSC000172129 [0,2,0,0,0,0|1,0,0]=3
19  B9R0.8  CCCOC(=O)C(C)CC CSC011213261 [0,2,0,0,0,0|1,0,0]=3
20  B9R0.18  CCCCC(=O)OCCC CSC000169915 [0,2,0,0,0,0|1,0,0]=3
21  B9R0.18  CCCNC(=O)NCCC CSC000163711 [0,2,0,0,0,0|2,0,0]=4
22  B9R0.34  CCCC(=O)OC(C)CC CSC000062825 [0,2,0,0,0,0|1,0,0]=3
23  B9R0.34  CCOC(=O)CC(C)CC CSC011218107 [0,2,0,0,0,0|1,0,0]=3
24  B9R0.35  CCCC(C)C(=O)OCC CSC011217054 [0,2,0,0,0,0|1,0,0]=3
25  B9R0.48  CCCC(=O)OCC(C)C CSC000005790 [0,2,0,0,0,0|1,0,0]=3
26  B9R0.48  CCOC(=O)CCC(=O)C CSC011212338 [0,2,0,0,0,0|0,1,0]=3
27  B9R0.48  CCOC(=O)CCC(C)C CSC011212201 [0,2,0,0,0,0|1,0,0]=3
28  B9R0.19  CCOC(=O)C(C)(C)C#N CSC011216776 [0,2,0,0,0,0|1,0,1]=4
29  B9R0.19  CCOC(=O)C(C)(C)C=C CSC012186761 [0,2,0,0,0,0|1,0,1]=4
30  B9R0.19  CCOC(=O)C(C)(C)CO CSC011765865 [0,2,0,0,0,0|0,1,0]=3
31  B9R0.19  CCOC(=O)C(C)(C)SC CSC000036217 [0,2,0,0,0,0|2,0,0]=4
32  B9R0.37  CCCC(=O)N(CC)CC CSC000158721 [0,2,0,0,0,0|2,0,0]=4
33  B9R0.37  CCN(CC)C(=O)CCN CSC000742606 [0,2,0,0,0,0|2,0,0]=4
34  B9R0.44  CCOC(=O)CC(C)(C)C CSC000170348 [0,2,0,0,0,0|1,0,0]=3
35  B9R0.44  CCOC(=O)CC(C)(F)F CSC000070698 [0,2,0,0,0,0|1,0,0]=3
36  B9R0.44  CCOC(=O)CS(=O)(=O)C CSC011215758 [0,2,0,0,0,0|1,1,0]=4
37  B9R0.53  CC(C)CC(=O)NC(C)C CSC000157551 [0,2,0,0,0,0|2,0,0]=4
38  B9R0.53  CC(C)CC(=O)OC(C)C CSC000170143 [0,2,0,0,0,0|1,0,0]=3