0  B6R0.5  CC#CC(C)(C)O SBB009136 [1,0,0,0,0,0|2,0,1]=4
1  B6R0.5  CCCC(C)(C)N SBB052122 [1,0,0,0,0,0|3,0,0]=4
2  B6R0.5  CCNC(C)(C)C SBB052124 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.8  C#CC(C)(C)OC SBB014168 [1,0,0,0,0,0|1,1,1]=4
4  B6R0.8  CNC(C)(C)C#N SBB078156 [1,0,0,0,0,0|2,0,1]=4
5  B8R0.12  C=CCC(C)(C)C(=O)O SBB053609 [0,1,0,0,0,0|2,0,1]=4
6  B8R0.12  CCCC(C)(C)C(=O)O SBB007765 [0,1,0,0,0,0|2,0,0]=3
7  B8R0.34  C(=O)C(C)(C)CN(C)C SBB007757 [0,1,0,0,0,0|2,0,0]=3
8  B5R0.1  CC(C)SC#N SBB060088 [2,0,0,0,0,0|2,0,0]=4
9  B5R0.4  CC(C)(C)NO SBB056490 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.4  NNC(C)(C)C SBB005864 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.5  CCCC(C)C(=O)O SBB065915 [1,1,0,0,0,0|2,0,0]=4
12  B7R0.5  CSC[C@H](N)C(=O)O SBB066379 [1,1,0,0,0,0|2,0,0]=4
13  B7R0.13  CC(C)(CO)C(=O)O SBB053589 [1,1,0,0,0,0|1,1,0]=4
14  B7R0.13  CCC(C)(C)C(=O)O SBB065772 [1,1,0,0,0,0|1,0,0]=3
15  B7R1.1  O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|2,0,0]=4
16  B7R1.1  O=CC1CCOC1 SBB052278 [1,0,0,1,0,0|1,1,0]=4
17  B9R1.40  CC1(C)NCCNC1=O SBB010254 [0,1,0,1,0,0|2,0,0]=4
18  B9R1.163  CC1(C(=O)O)CCCO1 SBB012745 [0,1,0,1,0,0|1,1,0]=4
19  B9R1.66  CC1(C)CC(=O)CCO1 SBB048828 [0,1,0,1,0,0|1,1,0]=4