0  B8R1.8  NCCC1=CN=CN1 M14782 [0,0,0,0,0,0|2,0,0]=2
1  B8R1.8  NCCC1=CNC=N1 M18704 [0,0,0,0,0,0|2,0,0]=2
2  B7R1.1  O=Cc1ccco1 M20306 [1,0,0,0,0,0|1,1,1]=4
3  B9R1.7  CN1C=NC(CCN)=C1 M22893 [0,1,0,0,0,0|2,0,0]=3
4  B9R1.33  CC1=C(CCCl)SC=N1 M26108 [0,1,0,0,0,0|2,0,0]=3
5  B9R1.33  Cc1ncsc1CCCl M24511 [0,1,0,0,0,0|2,0,0]=3
6  B9R1.33  Cn1cncc1CCN M19737 [0,1,0,0,0,0|2,0,0]=3
7  B9R1.8  CCOC1=CC=CC=C1 M23245 [0,0,0,0,0,1|3,0,0]=4
8  B9R1.8  CNCc1ccccc1 M21326 [0,0,0,0,0,1|3,0,0]=4
9  B9R1.8  NCCc1ccccc1 M18943 [0,0,0,0,0,1|1,0,0]=2
10  B9R1.8  NCCc1ccccc1 M20880 [0,0,0,0,0,1|1,0,0]=2
11  B9R1.8  NCCc1ccccn1 M24275 [0,0,0,0,0,1|1,0,0]=2
12  B9R1.8  O=CCC1=CC=CC=C1 M17893 [0,0,0,0,0,1|2,0,1]=4
13  B9R1.8  OCCC1=CC=CC=C1 M15237 [0,0,0,0,0,1|2,0,0]=3
14  B9R1.8  OCCC1=CC=CC=N1 M10186 [0,0,0,0,0,1|2,0,0]=3
15  B6R0.6  CCC\C=C\C=O M21392 [1,0,1,0,0,0|0,1,1]=4
16  B6R1.2  NC1=NC=CS1 M16867 [2,0,0,0,0,0|1,0,0]=3
17  B8R1.1  NCc1cc(=O)no1 M27306 [1,1,0,0,0,0|1,1,0]=4
18  B8R1.7  CC(=O)C1=NC=CS1 M24117 [1,1,0,0,0,0|1,0,1]=4
19  B10R1.1  NCCC1=CC=C(O)C=C1 M13750 [0,1,0,0,0,1|1,0,0]=3
20  B10R1.1  NCCc1ccc(O)cc1 M18703 [0,1,0,0,0,1|1,0,0]=3
21  B10R1.1  NCCc1ccc(O)cc1 M21102 [0,1,0,0,0,1|1,0,0]=3
22  B10R1.1  OCCc1ccc(O)cc1 M18667 [0,1,0,0,0,1|2,0,0]=4
23  B10R1.15  NCC(O)c1ccccc1 M19713 [0,1,0,0,0,1|1,0,0]=3
24  B10R1.15  OCC(O)C1=CC=CC=C1 M16691 [0,1,0,0,0,1|2,0,0]=4
25  B10R1.17  CCOCc1ccccc1 M28093 [0,1,0,0,0,1|2,0,0]=4
26  B10R1.17  CNCCC1=CC=CC=N1 M14976 [0,1,0,0,0,1|1,0,0]=3
27  B10R1.17  CNCCC1=CC=CC=N1 M15030 [0,1,0,0,0,1|1,0,0]=3
28  B10R1.17  CNCCc1ccccn1 M18815 [0,1,0,0,0,1|1,0,0]=3
29  B10R1.17  NNCCC1=CC=CC=C1 M28748 [0,1,0,0,0,1|1,0,0]=3
30  B10R1.17  NNCCc1ccccc1 M22671 [0,1,0,0,0,1|1,0,0]=3
31  B10R1.17  NNCCc1ccccc1 M28381 [0,1,0,0,0,1|1,0,0]=3
32  B10R1.17  OCCCC1=CC=CC=C1 M19330 [0,1,0,0,0,1|2,0,0]=4
33  B10R1.17  OCCOC1=CC=CC=C1 M23407 [0,1,0,0,0,1|2,0,0]=4
34  B10R1.130  Cc1nc(N)sc1CCN M28465 [0,2,0,0,0,0|1,0,0]=3
35  B10R1.21  CCCCCC1=CC=CO1 M18491 [0,2,0,0,0,0|1,1,0]=4
36  B8R1.2  NCC1=CC=CN=C1 M14288 [0,0,1,1,0,0|1,0,1]=4
37  B8R1.2  NCc1ccccc1 M19712 [0,0,1,1,0,0|1,0,1]=4
38  B10R2.6  C1=CC=C(C2CO2)C=C1 M19497 [0,0,0,1,0,1|2,0,0]=4
39  B10R2.7  c1ccc2c(c1)CCO2 M22654 [0,0,0,1,0,1|2,0,0]=4