0  B7R0.1  C#CCCCCCC 13059 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.1  CCCCCCCBr 3775 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.1  CCCCCCCI 3944 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.6  C#CCCCCC 13058 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.6  CCCCCC=O 3077 [1,0,0,0,0,0|1,1,1]=4
5  B6R0.6  CCCCCCBr 3776 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.6  CCCCCCI 3945 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  CCCCNCC 10254 [1,0,0,0,0,0|1,0,2]=4
8  B6R0.6  CCCCOCC 12525 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.6  COCCCCCl 1935 [1,0,0,0,0,0|1,1,1]=4
10  B6R0.6  COCCCCO 1938 [1,0,0,0,0,0|0,2,1]=4
11  B8R1.5  CC1=NCCCN1C 14029 [0,0,0,1,0,0|2,0,1]=4
12  B5R0.2  C#CCCCC 13057 [2,0,0,0,0,0|1,0,1]=4
13  B5R0.2  CCCCCI 3960 [2,0,0,0,0,0|1,0,1]=4
14  B5R0.2  CNCCCN 26279 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.2  CNCCCO 30456 [2,0,0,0,0,0|1,1,0]=4
16  B5R0.2  COCCCBr 11240 [2,0,0,0,0,0|1,1,0]=4
17  B5R0.2  COCCCCl 18632 [2,0,0,0,0,0|1,1,0]=4
18  B5R0.2  COCCCN 16804 [2,0,0,0,0,0|0,1,1]=4
19  B5R0.2  COCCCO 1936 [2,0,0,0,0,0|0,2,0]=4
20  B7R0.3  CSCC[C@@H](N)CO 12299 [1,1,0,0,0,0|0,1,1]=4
21  B7R0.3  CSCC[C@H](N)CO 25150 [1,1,0,0,0,0|0,1,1]=4
22  B7R0.7  CCOC(=O)N=C=S 11182 [1,1,0,0,0,0|1,0,1]=4