0  B13R2.57  N#CC1=CC=C2C=CC=NC2=C1 4036036 [0,1,0,0,0,0|2,0,0]=3
1  B13R2.57  NCC1=CC2=CC=CC=C2N=C1 4090869 [0,1,0,0,0,0|2,0,0]=3
2  B13R2.57  NCC1=CC=C2C=CC=CC2=N1 4089010 [0,1,0,0,0,0|2,0,0]=3
3  B13R2.162  CC1=CC=C2N=CC=C(Br)C2=C1 4036005 [0,1,0,0,0,0|2,0,0]=3
4  B13R2.162  CC1=CC=C2N=CN=C(Cl)C2=C1 7188065 [0,1,0,0,0,0|3,0,0]=4
5  B13R2.162  CC1=CC=C2N=CN=C(N)C2=C1 6142951 [0,1,0,0,0,0|3,0,0]=4
6  B13R2.162  FC1=C2C=C(Br)C=NC2=CC=C1 4110379 [0,1,0,0,0,0|2,0,0]=3
7  B13R2.328  O=C1C=C(O)C2=C(C=CC=C2)S1 5102960 [0,1,0,0,0,0|1,1,0]=3
8  B13R2.3683  FC1=CC=C2C=C(Br)C=NC2=C1 4110381 [0,1,0,0,0,0|2,0,0]=3
9  B11R1.91  O=C(O)\C=C\C1=CC=CN=C1 3020214 [0,0,1,0,0,0|2,1,0]=4
10  B11R2.1  CC1=NNC2=CC=CC=C21 4088223 [0,0,0,0,1,0|3,0,0]=4
11  B11R2.1  NC1=NOC2=CC=CC=C21 3020311 [0,0,0,0,1,0|3,0,0]=4
12  B11R2.36  BrC1=CC2=C(C=C1)OC=N2 4002139 [0,0,0,0,1,0|3,0,0]=4
13  B11R2.36  ClC1=CC2=C(C=C1)NC=C2 3020104 [0,0,0,0,1,0|2,0,0]=3
14  B11R2.36  ClC1=CC2=C(C=CN2)C=C1 3020088 [0,0,0,0,1,0|2,0,0]=3
15  B11R2.36  NC1=CC2=C(C=C1)SC=N2 4087784 [0,0,0,0,1,0|3,0,0]=4
16  B11R2.36  NC1=CC2=C(C=C1)SC=N2 4087785 [0,0,0,0,1,0|3,0,0]=4
17  B11R2.36  OC1=CC=C2NC=NC2=C1 4088281 [0,0,0,0,1,0|2,1,0]=4
18  B10R1.17  NC\C=C\C1=CC=CC=C1 4090564 [1,0,1,0,0,0|1,0,1]=4
19  B12R2.1081  NC1=CC=CC2=C1C=NC=N2 4002178 [1,1,0,0,0,0|2,0,0]=4
20  B12R2.1  N#CC1=CNC2=CC=CC=C12 3020059 [0,1,0,0,1,0|2,0,0]=4
21  B12R2.196  CN1C=CC2=C1C=CC=C2N 4090799 [0,1,0,0,1,0|2,0,0]=4
22  B12R2.32  NCC1=CC2=CC=CC=C2S1 4090276 [0,1,0,0,1,0|2,0,0]=4
23  B12R2.202  CC1=CC2=C(O1)C(N)=CC=C2 4090979 [0,1,0,0,1,0|2,0,0]=4
24  B12R2.606  CC1=CC2=C(C=CC(N)=C2)O1 4088493 [0,1,0,0,1,0|2,0,0]=4
25  B12R2.44  COC1=CC2=C(C=C1)NC=C2 3020313 [0,1,0,0,1,0|1,1,0]=4
26  B14R2.29369  CC1=CC=C2C(=N1)C=CC(C)=C2N 4100118 [0,2,0,0,0,0|2,0,0]=4
27  B14R2.112  CNCC1=CC2=CC=CC=C2N=C1 4087797 [0,2,0,0,0,0|2,0,0]=4
28  B14R2.112  CNCC1=CC2=CC=CC=C2N=C1 4090364 [0,2,0,0,0,0|2,0,0]=4
29  B14R2.112  CNCC1=NC2=CC=CC=C2C=C1 4012512 [0,2,0,0,0,0|2,0,0]=4
30  B14R2.112  NCCC1=CC2=CC=CC=C2C=C1 4090137 [0,2,0,0,0,0|1,0,0]=3
31  B14R2.134  COC1=CC=C2N=CC(N)=CC2=C1 4090074 [0,2,0,0,0,0|1,1,0]=4
32  B14R2.1128  N#CC1=CC2=CC=CC=C2N=C1N 3001912 [0,2,0,0,0,0|2,0,0]=4
33  B14R2.1128  NNC1=NC2=C(C=CC=C2)N=C1S 5215319 [0,2,0,0,0,0|2,0,0]=4
34  B14R2.2332  O=CC1=CC2=CC=C(O)C=C2N=C1 4035676 [0,2,0,0,0,0|1,1,0]=4
35  B12R2.315  O=CC1=C2C=CNC2=CC=C1 3020076 [0,0,1,1,0,0|2,0,0]=4