0  B6R1.2  CC1=CNN=C1 M15874 [0,0,0,0,0,0|0,0,0]=0
1  B6R1.2  CC1=NCCN1 M27364 [0,0,0,0,0,0|4,0,0]=4
2  B6R1.2  CN1C=CN=C1 M15328 [0,0,0,0,0,0|2,0,0]=2
3  B5R1.1  C1=COCC1 M10663 [1,0,0,0,0,0|2,0,1]=4
4  B5R1.1  C1=CON=C1 M19338 [1,0,0,0,0,0|1,0,0]=2
5  B7R1.2  CC1=CC(N)=NO1 M10297 [0,1,0,0,0,0|2,0,0]=3
6  B7R1.2  CC1=CCC(=O)O1 M21296 [0,1,0,0,0,0|3,0,0]=4
7  B7R1.2  Cc1ccn(C)n1 M28333 [0,1,0,0,0,0|2,0,0]=3
8  B7R1.2  Cn1ccc(N)n1 M20726 [0,1,0,0,0,0|3,0,0]=4
9  B7R1.4  CN1C=CNC1=S M15265 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.1  CC(C)=CCO M19629 [0,0,1,0,0,0|2,0,1]=4
11  B5R0.1  CC(C)\C=N\O M19919 [0,0,1,0,0,0|1,0,2]=4
12  B7R1.3  Cc1cnccn1 M28185 [0,0,0,0,0,1|1,0,0]=2
13  B7R1.3  ClC1=NC=CN=C1 M11940 [0,0,0,0,0,1|2,0,0]=3
14  B7R1.3  NC1=CC=NC=C1 M14717 [0,0,0,0,0,1|2,0,0]=3
15  B7R1.3  NC1=NC=CN=N1 M22968 [0,0,0,0,0,1|3,0,0]=4
16  B7R1.3  Nc1ccccc1 M19715 [0,0,0,0,0,1|3,0,0]=4
17  B7R1.3  OC1=CC=CC=C1 M19463 [0,0,0,0,0,1|3,0,0]=4
18  B4R0.1  C=CC(N)=O M20290 [1,0,1,0,0,0|2,0,0]=4
19  B4R0.1  CC(=O)NO M14966 [1,0,1,0,0,0|2,0,0]=4
20  B4R0.1  NN=C(N)N M13039 [1,0,1,0,0,0|2,0,0]=4
21  B6R0.3  CC(=O)\C(C)=N\O M15109 [0,1,1,0,0,0|2,0,0]=4
22  B8R1.2  COc1ccccc1 M20226 [0,1,0,0,0,1|2,0,0]=4
23  B8R1.2  COc1cnccn1 M24247 [0,1,0,0,0,1|1,0,0]=3
24  B8R1.2  NCC1=CC=CN=C1 M14288 [0,1,0,0,0,1|1,0,0]=3
25  B8R1.2  NCc1ccccc1 M19712 [0,1,0,0,0,1|2,0,0]=4
26  B8R1.2  OCC1=CC=CC=C1 M10041 [0,1,0,0,0,1|2,0,0]=4
27  B8R1.2  OCC1=CC=CC=N1 M15162 [0,1,0,0,0,1|2,0,0]=4
28  B8R1.2  OCC1=CN=CC=C1 M10048 [0,1,0,0,0,1|1,0,0]=3
29  B8R1.3  Cc1ccc(O)cc1 M19480 [0,1,0,0,0,1|2,0,0]=4
30  B8R1.3  Cc1ccc(O)cc1 M20004 [0,1,0,0,0,1|2,0,0]=4
31  B8R1.3  Cc1cnc(C)cn1 M19557 [0,1,0,0,0,1|1,0,0]=3
32  B8R1.3  Nc1ccc(Cl)nc1 M20685 [0,1,0,0,0,1|2,0,0]=4
33  B8R1.4  O=C1C=CNC(=O)N1 M15525 [0,1,0,0,0,1|2,0,0]=4
34  B8R1.4  O=C1C=CNC(=S)N1 M11751 [0,1,0,0,0,1|2,0,0]=4
35  B8R1.5  CC1=C(O)C=CC=N1 M23315 [0,1,0,0,0,1|2,0,0]=4
36  B8R1.5  Nc1ccncc1N M18788 [0,1,0,0,0,1|2,0,0]=4
37  B8R1.5  Nc1ncccc1O M21226 [0,1,0,0,0,1|2,0,0]=4
38  B8R1.7  O=C(O)c1cnsc1 M20297 [0,2,0,0,0,0|1,0,1]=4
39  B8R1.8  NCCC1=CN=CN1 M14782 [0,2,0,0,0,0|2,0,0]=4
40  B8R1.8  NCCC1=CNC=N1 M18704 [0,2,0,0,0,0|2,0,0]=4
41  B8R1.11  CSc1nccn1C M22194 [0,2,0,0,0,0|2,0,0]=4
42  B6R1.1  c1cncnc1 M19588 [0,0,1,1,0,0|2,0,0]=4