0  B9R1.8  CCSc1ncccn1 CSC000000290 [0,0,0,0,0,0|4,0,0]=4
1  B8R1.2  CSc1ncccn1 CSC000000289 [1,0,0,0,0,0|3,0,0]=4
2  B10R1.1  CCNc1ccc(cn1)Br CSC000741496 [0,1,0,0,0,0|3,0,0]=4
3  B10R1.17  CCCSc1ccccc1 CSC000005822 [0,1,0,0,0,0|3,0,0]=4
4  B10R1.17  CCCSc1ccccn1 CSC000006455 [0,1,0,0,0,0|2,0,0]=3
5  B10R1.17  CCSCc1ccccc1 CSC000006444 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.17  CSCCc1ccncc1 CSC015420737 [0,1,0,0,0,0|3,0,0]=4
7  B10R1.17  OCCSc1ccccc1 CSC000230494 [0,1,0,0,0,0|2,1,0]=4
8  B10R1.17  OCCSc1ccccn1 CSC000156319 [0,1,0,0,0,0|1,1,0]=3
9  B8R1.8  CCSc1cccs1 CSC009829625 [0,0,0,0,1,0|3,0,0]=4
10  B9R1.1  CSc1ccc(cn1)Br CSC011408404 [1,1,0,0,0,0|2,0,0]=4
11  B9R1.6  CS(=O)c1ccccn1 CSC000064355 [1,1,0,0,0,0|2,0,0]=4
12  B9R1.15  CNc1ncccc1Br CSC000700899 [1,1,0,0,0,0|2,0,0]=4
13  B9R1.7  CCCn1cc(cn1)Br CSC011400188 [0,1,0,0,1,0|2,0,0]=4
14  B9R1.7  CCCn1cc(cn1)Cl CSC012129384 [0,1,0,0,1,0|2,0,0]=4
15  B9R1.7  CCCn1cc(cn1)I CSC012073160 [0,1,0,0,1,0|2,0,0]=4
16  B9R1.7  FCCn1cc(cn1)I CSC012468356 [0,1,0,0,1,0|2,0,0]=4
17  B9R1.7  NCCn1cc(cn1)I CSC000721286 [0,1,0,0,1,0|2,0,0]=4
18  B9R1.7  OCCn1cc(cn1)Br CSC011236722 [0,1,0,0,1,0|1,1,0]=4
19  B9R1.7  OCCn1cc(cn1)Cl CSC011398116 [0,1,0,0,1,0|1,1,0]=4
20  B9R1.7  OCCn1cc(cn1)I CSC012072722 [0,1,0,0,1,0|1,1,0]=4
21  B9R1.7  OCCn1cnc(n1)Br CSC000733992 [0,1,0,0,1,0|1,1,0]=4
22  B9R1.7  OCCn1cnc(n1)Cl CSC010979029 [0,1,0,0,1,0|1,1,0]=4
23  B9R1.12  CCNCc1cccs1 CSC000186918 [0,1,0,0,1,0|2,0,0]=4
24  B9R1.12  CCNCc1ccsc1 CSC000201226 [0,1,0,0,1,0|2,0,0]=4
25  B9R1.12  CCSCc1ccco1 CSC000028914 [0,1,0,0,1,0|2,0,0]=4
26  B9R1.12  OCCSc1cccs1 CSC011305907 [0,1,0,0,1,0|1,1,0]=4
27  B11R1.1  NCCNc1ccc(cn1)Br CSC011214600 [0,2,0,0,0,0|2,0,0]=4
28  B11R1.1  OCCSc1ccc(cn1)Cl CSC011219778 [0,2,0,0,0,0|1,1,0]=4
29  B11R1.17  NCCNc1ncccc1Br CSC011464841 [0,2,0,0,0,0|2,0,0]=4
30  B11R1.24  Cc1ccnc(c1)NCCN CSC011532785 [0,2,0,0,0,0|2,0,0]=4
31  B11R1.24  NCCNc1cncc(c1)Br CSC014501548 [0,2,0,0,0,0|2,0,0]=4
32  B11R1.16  CCOC(=O)c1cnccn1 CSC000170199 [0,2,0,0,0,0|1,0,1]=4
33  B11R1.28  CCCCNc1ccccn1 CSC000156416 [0,2,0,0,0,0|2,0,0]=4
34  B11R1.28  CCCNCc1ccccn1 CSC000201641 [0,2,0,0,0,0|2,0,0]=4
35  B11R1.28  CCCNCc1cccnc1 CSC000180834 [0,2,0,0,0,0|2,0,0]=4
36  B11R1.28  COCCSc1ccccn1 CSC000024487 [0,2,0,0,0,0|1,1,0]=4
37  B11R1.28  CSCCCc1ccccc1 CSC000051364 [0,2,0,0,0,0|2,0,0]=4
38  B11R1.28  CSCCOc1ccccc1 CSC000148400 [0,2,0,0,0,0|2,0,0]=4
39  B11R1.28  OCCNCc1ccccn1 CSC000200435 [0,2,0,0,0,0|1,1,0]=4
40  B11R1.91  CC(C)CNc1ccccn1 CSC000156674 [0,2,0,0,0,0|2,0,0]=4
41  B11R1.91  CC(C)NCc1ccccn1 CSC000200191 [0,2,0,0,0,0|2,0,0]=4
42  B11R1.91  CC(C)NCc1cccnc1 CSC000200193 [0,2,0,0,0,0|2,0,0]=4
43  B11R1.91  CC(N)CNc1ccccn1 CSC011914399 [0,2,0,0,0,0|2,0,0]=4