0  B9R1.8  CCCc1ccccc1 3H0 [1,0,0,1,0,0|2,0,0]=4
1  B9R1.8  CCOc1ccccc1 16Q [1,0,0,1,0,0|1,0,0]=3
2  B9R1.8  CCSc1ccccc1 16M [1,0,0,1,0,0|1,1,0]=4
3  B9R1.15  CCc1ccccc1O JZ1 [1,0,0,1,0,0|1,0,1]=4
4  B9R1.27  CCN1C(=O)C=CC1=O NEQ [1,0,0,1,0,0|2,0,0]=4
5  B9R1.11  COC(=O)c1cccs1 54D [1,0,0,1,0,0|1,0,0]=3
6  B11R1.16  CCCC(=O)c1cccnc1 PBO [0,1,0,1,0,0|1,0,1]=4