0  B5R0.1  C=CC[C@H](C)N D84793 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  CN(C)NC=O 20013 [0,0,0,0,0,0|1,1,2]=4
2  B5R0.1  C[C@H](N)CC#N 83614 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  C=C[C@H](C)N N11431 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  C[C@H](N)C#N 96735 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  C[C@H](N)CF AC1331 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  CC(C)C(=O)CN AT23528 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.3  CC(C)[C@@H](N)CO Y13602 [0,1,0,0,0,0|1,1,1]=4
8  B6R0.4  CC(C)NCC#N 78909 [0,1,0,0,0,0|1,0,2]=4
9  B6R0.5  CSCC(C)(C)N D76732 [0,1,0,0,0,0|3,0,0]=4
10  B6R1.5  CC1CC(O)C1 P19103 [0,0,0,1,0,0|1,1,1]=4
11  B6R1.5  C[C@H]1C[C@H](C)N1 D79632 [0,0,0,1,0,0|1,0,2]=4
12  B6R1.5  C[C@H]1C[C@H](C)N1 D84904 [0,0,0,1,0,0|1,0,2]=4
13  B6R1.8  C[C@@H]1C[C@@H]1CO 55221 [0,0,0,1,0,0|1,1,1]=4
14  B6R1.9  CC1(C)C[C@@H]1Br P17575 [0,0,0,1,0,0|2,0,1]=4
15  B5R0.4  CC(C)(F)CI AC1604 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.4  CC(C)(F)CN 85780 [1,1,0,0,0,0|1,0,1]=4