0  B10R1.20  CNC1=NC=CN=C1C#N AQ-917/41583898 [0,0,0,0,0,0|2,0,1]=3
1  B10R1.20  COC1=C(C#N)N=CC=N1 AQ-917/42753965 [0,0,0,0,0,0|1,1,1]=3
2  B10R1.20  N#CC1=C(C#N)N=CC=N1 AE-017/30096020 [0,0,0,0,0,0|3,0,1]=4
3  B9R1.15  CC1=C(CN)C=CC=C1 AP-770/40653937 [1,0,0,0,0,0|3,0,0]=4
4  B9R1.15  CC1=CC=CN=C1C#N AN-584/42118739 [1,0,0,0,0,0|2,0,1]=4
5  B9R1.15  CCC1=C(C)C=CN=C1 AO-801/41077436 [1,0,0,0,0,0|3,0,0]=4
6  B9R1.15  CNC1=C(Cl)N=CC=C1 AC-907/34117030 [1,0,0,0,0,0|3,0,0]=4
7  B9R1.15  OCC1=C(O)C=CC=N1 AJ-333/25006072 [1,0,0,0,0,0|2,1,0]=4
8  B11R1.37  CSC1=NC(C)=CC=C1C#N AM-807/25099028 [0,1,0,0,0,0|2,0,1]=4
9  B11R1.53  CSC1=NC=CC=C1C(=O)O AJ-333/25022068 [0,1,0,0,0,0|2,0,1]=4
10  B9R1.14  CSC1=C[Se]C=C1SC AI-942/25034291 [0,0,0,0,1,0|3,0,0]=4
11  B8R1.2  COC1=NN=CC=N1 AE-842/32231045 [2,0,0,0,0,0|1,1,0]=4
12  B8R1.2  CSC1=NN=CC=N1 AC-907/34115025 [2,0,0,0,0,0|1,0,0]=3
13  B8R1.2  OCC1=CC=CC=N1 AE-641/00340018 [2,0,0,0,0,0|2,0,0]=4
14  B8R1.5  CC1=C(Br)N=CC=C1 AC-907/30003020 [2,0,0,0,0,0|2,0,0]=4
15  B8R1.5  CC1=C(O)N=CC=N1 AC-907/34116029 [2,0,0,0,0,0|0,1,0]=3
16  B8R1.5  CC1=NC=CC=C1Br AN-584/43273903 [2,0,0,0,0,0|2,0,0]=4
17  B8R1.5  CC1=NC=CC=C1O AQ-344/40575762 [2,0,0,0,0,0|1,1,0]=4
18  B10R1.4  CCOC1=C(Br)C=CC=N1 AC-907/25004665 [1,1,0,0,0,0|2,0,0]=4
19  B10R1.4  CCOC1=C(N)N=CC=C1 AF-807/00322014 [1,1,0,0,0,0|2,0,0]=4
20  B10R1.4  CCOC1=NC=CC=C1Cl AN-584/42206191 [1,1,0,0,0,0|2,0,0]=4
21  B12R1.77  CNC1=C(C(=O)OC)N=CC=N1 AQ-917/42753963 [0,2,0,0,0,0|1,0,1]=4
22  B12R1.77  COC(=O)C1=C(SC)N=CC=C1 AJ-333/25006178 [0,2,0,0,0,0|1,0,1]=4
23  B12R1.283  CCNC1=NC=CN=C1C(N)=O AQ-917/42754201 [0,2,0,0,0,0|2,0,0]=4
24  B12R2.24  O=C1C=NC2=C(CCCC2)N1 AO-181/25113057 [0,1,0,1,0,0|1,0,1]=4
25  B8R1.11  CN1C=CN=C1CCl AC-907/25004454 [1,0,0,0,1,0|2,0,0]=4
26  B8R1.11  CN1C=CN=C1CO AE-848/30896059 [1,0,0,0,1,0|2,0,0]=4