0  B8R1.8  CCSc1cccs1 CSC009829625 [0,0,0,0,0,0|2,0,0]=2
1  B9R1.7  CCCn1cc(cn1)Br CSC011400188 [0,1,0,0,0,0|3,0,0]=4
2  B9R1.7  CCCn1cc(cn1)Cl CSC012129384 [0,1,0,0,0,0|3,0,0]=4
3  B9R1.7  CCCn1cc(cn1)I CSC012073160 [0,1,0,0,0,0|3,0,0]=4
4  B9R1.7  FCCn1cc(cn1)I CSC012468356 [0,1,0,0,0,0|3,0,0]=4
5  B9R1.7  NCCn1cc(cn1)I CSC000721286 [0,1,0,0,0,0|2,0,0]=3
6  B9R1.7  OCCn1cc(cn1)Br CSC011236722 [0,1,0,0,0,0|3,0,0]=4
7  B9R1.7  OCCn1cc(cn1)Cl CSC011398116 [0,1,0,0,0,0|3,0,0]=4
8  B9R1.7  OCCn1cc(cn1)I CSC012072722 [0,1,0,0,0,0|3,0,0]=4
9  B9R1.11  COC(=O)c1cccs1 CSC000148991 [0,1,0,0,0,0|2,0,1]=4
10  B9R1.11  NNC(=O)c1cccs1 CSC000184746 [0,1,0,0,0,0|1,0,1]=3
11  B9R1.12  CCNCc1cccs1 CSC000186918 [0,1,0,0,0,0|1,0,0]=2
12  B9R1.12  CCNCc1ccsc1 CSC000201226 [0,1,0,0,0,0|3,0,0]=4
13  B9R1.12  CCSCc1ccco1 CSC000028914 [0,1,0,0,0,0|1,1,0]=3
14  B9R1.12  OCCSc1cccs1 CSC011305907 [0,1,0,0,0,0|1,0,0]=2
15  B9R1.13  NC(=O)Cc1cccs1 CSC000162174 [0,1,0,0,0,0|0,0,1]=2
16  B9R1.13  NC(=O)Cc1ccsc1 CSC000162286 [0,1,0,0,0,0|2,0,1]=4
17  B9R1.8  CCSc1ncccn1 CSC000000290 [0,0,0,0,0,1|3,0,0]=4
18  B8R1.1  CCn1cc(cn1)Br CSC011400201 [1,1,0,0,0,0|2,0,0]=4
19  B8R1.1  CCn1cc(cn1)I CSC000754281 [1,1,0,0,0,0|2,0,0]=4
20  B10R1.17  CCCSc1ccccc1 CSC000005822 [0,1,0,0,0,1|2,0,0]=4
21  B10R1.17  CCCSc1ccccn1 CSC000006455 [0,1,0,0,0,1|2,0,0]=4
22  B10R1.17  CCSCc1ccccc1 CSC000006444 [0,1,0,0,0,1|2,0,0]=4
23  B10R1.17  CSCCc1ccncc1 CSC015420737 [0,1,0,0,0,1|2,0,0]=4
24  B10R1.17  OCCSc1ccccc1 CSC000230494 [0,1,0,0,0,1|2,0,0]=4
25  B10R1.17  OCCSc1ccccn1 CSC000156319 [0,1,0,0,0,1|2,0,0]=4
26  B10R1.17  OCCSc1ccncc1 CSC011297907 [0,1,0,0,0,1|2,0,0]=4
27  B10R1.14  Cc1ccc(s1)C(=O)NN CSC000189777 [0,2,0,0,0,0|1,0,1]=4
28  B10R1.14  NNC(=O)c1cc(cs1)Br CSC009813055 [0,2,0,0,0,0|1,0,1]=4
29  B10R1.14  NNC(=O)c1ccc(s1)Cl CSC000189877 [0,2,0,0,0,0|1,0,1]=4
30  B10R1.16  CCNCc1cc(cs1)Br CSC000201283 [0,2,0,0,0,0|1,0,0]=3
31  B10R1.16  CCNCc1ccc(s1)C CSC000189073 [0,2,0,0,0,0|1,0,0]=3
32  B10R1.16  CCNCc1ccc(s1)Cl CSC000185262 [0,2,0,0,0,0|1,0,0]=3
33  B10R1.16  CCNCc1nc(cs1)C CSC011401589 [0,2,0,0,0,0|2,0,0]=4
34  B10R1.54  CC(C)Cc1nc(cs1)C CSC011217510 [0,2,0,0,0,0|2,0,0]=4
35  B10R1.11  CCNC(=O)c1cccs1 CSC000160180 [0,2,0,0,0,0|1,0,1]=4
36  B10R1.11  CCOC(=O)c1cccs1 CSC000170332 [0,2,0,0,0,0|1,0,1]=4
37  B10R1.149  Cc1ccsc1C(=O)NN CSC000189776 [0,2,0,0,0,0|1,0,1]=4
38  B10R1.149  NNC(=O)c1sccc1Br CSC011327400 [0,2,0,0,0,0|1,0,1]=4
39  B10R1.21  CCCNCc1cccs1 CSC000186944 [0,2,0,0,0,0|1,0,0]=3
40  B10R1.21  OCCNCc1ccco1 CSC000200452 [0,2,0,0,0,0|1,1,0]=4
41  B10R1.21  OCCNCc1cccs1 CSC000200436 [0,2,0,0,0,0|1,0,0]=3
42  B10R1.21  OCCNCc1cncs1 CSC011744557 [0,2,0,0,0,0|2,0,0]=4
43  B10R1.27  CNC(=O)Cc1cccs1 CSC000159811 [0,2,0,0,0,0|0,0,1]=3
44  B10R1.27  COC(=O)Cc1cccs1 CSC000173319 [0,2,0,0,0,0|1,0,1]=4
45  B10R1.29  CCNCc1sccc1C CSC000186935 [0,2,0,0,0,0|1,0,0]=3
46  B10R1.66  CC(=O)NCc1cccs1 CSC000154743 [0,2,0,0,0,0|1,0,1]=4
47  B10R1.66  CC(C)NCc1nccs1 CSC011447379 [0,2,0,0,0,0|2,0,0]=4
48  B10R1.66  CC(C)SCc1ccco1 CSC000028915 [0,2,0,0,0,0|1,1,0]=4