0  B6R0.1  CC[C@H](N)CCO AT14304 [0,0,0,0,0,0|2,1,1]=4
1  B6R0.1  CC[C@H](N)CCO AT22343 [0,0,0,0,0,0|2,1,1]=4
2  B6R0.1  CC[C@H](N)CCO AT22346 [0,0,0,0,0,0|2,1,1]=4
3  B6R0.1  CC[C@H](O)CON AT14514 [0,0,0,0,0,0|4,0,0]=4
4  B5R0.3  CC[C@H](F)CN D76437 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.3  CC[C@H](N)CF AC5314 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.3  CC[C@H](O)CN D72871 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.3  C[C@@H](CN)CO 70250 [1,0,0,0,0,0|1,1,1]=4
8  B7R1.1  CC[C@H]1CCCN1 RB4030 [0,0,0,1,0,0|1,0,2]=4
9  B7R1.2  C[C@H]1CC[C@H](C)N1 32834 [0,0,0,1,0,0|1,0,2]=4
10  B7R1.27  CC[C@]1(C)ON1C C11698 [0,0,0,1,0,0|3,0,0]=4
11  B4R0.1  [2H][C@@H](C)CO D98056 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.6  CSCCN=C=O AT25543 [1,1,0,0,0,0|0,1,0]=3
13  B6R0.8  CCC(C)(C)NN W10660 [1,1,0,0,0,0|1,0,1]=4
14  B6R1.7  C#CC1(C)CC1 C93202 [1,0,0,1,0,0|1,0,1]=4
15  B6R1.7  CC1(C=O)CC1 90939 [1,0,0,1,0,0|0,1,1]=4
16  B8R1.18  CC1=NC(C)C(C)S1 AT23987 [0,1,0,1,0,0|0,0,2]=4