0  B16R2.6164  C1=CC=CC=C1C2=C(C(N=C(N2)N)=O)Br      AK-29410 [0,0,0,0,0,0|0,0,0]=0
1  B15R2.27  CC1=CC(=NC(Cl)=N1)C2=CC=CC=C2      AK-87387 [1,0,0,0,0,0|2,0,1]=4
2  B15R2.27  CC1=NC(C2=CC=CC=C2)=CC(Cl)=N1      AK601639 [1,0,0,0,0,0|2,0,1]=4
3  B15R2.27  ClC1=NC(Cl)=NC(C2=CC=CC=C2)=C1      AK-93291 [1,0,0,0,0,0|2,0,1]=4
4  B15R2.27  ClC1=NC(N)=NC(C2=CC=CC=C2)=C1      AK-34852 [1,0,0,0,0,0|1,0,1]=3
5  B15R2.27  NC1=NC(Cl)=NC(C2=CC=CC=C2)=C1      AK-93309 [1,0,0,0,0,0|2,0,1]=4
6  B15R2.27  O=C1NC(N)=NC(C2=CC=CC=C2)=C1      AK-29409 [1,0,0,0,0,0|0,0,2]=3
7  B15R2.27  OC1=NC(S)=NC(C2=CC=CC=C2)=C1      AK155490 [1,0,0,0,0,0|1,0,2]=4
8  B15R2.33  NC1=NC=C(C(=N1)C2=CC=CC=C2)Br      AK-24501 [1,0,0,0,0,0|0,0,1]=2
9  B17R3.34483  O=C1NC2=C(OC3=CC=CC=C32)C(N1)=O      AK161033 [0,0,0,1,0,0|2,0,1]=4
10  B14R2.21  BrC1=NC=CC(C2=CC=CC=C2)=C1      AK108389 [2,0,0,0,0,0|2,0,0]=4
11  B14R2.21  C1(=CC=CC=C1)C2=CC(=NC=C2)O      AK-32327 [2,0,0,0,0,0|1,0,1]=4
12  B14R2.21  ClC1=NC=CC(C2=CC=CC=C2)=C1      AK-92326 [2,0,0,0,0,0|2,0,0]=4
13  B14R2.21  ClC1=NC=CC(C2=CC=CC=C2)=N1      AK-57369 [2,0,0,0,0,0|1,0,1]=4
14  B14R2.21  NC1=CC(C2=CC=CC=C2)=CC=C1      AK-34200 [2,0,0,0,0,0|2,0,0]=4
15  B14R2.21  NC1=CC(C2=CC=CC=C2)=CC=C1      AK-86089 [2,0,0,0,0,0|2,0,0]=4
16  B14R2.21  NC1=NC(C2=CC=CC=C2)=CC=C1      AK-41465 [2,0,0,0,0,0|1,0,1]=4
17  B14R2.21  NC1=NC=CC(C2=CC=CN=C2)=N1      AK-72588 [2,0,0,0,0,0|1,0,1]=4
18  B14R2.21  OC1=NC=CC(C2=CC=CC=C2)=N1      AK134965 [2,0,0,0,0,0|1,0,1]=4
19  B14R2.24  BrC1=CC=CC=C1C2=CC=CC=C2      AK-45668 [2,0,0,0,0,0|2,0,0]=4
20  B14R2.24  BrC1=CC=CN=C1C2=CC=CC=C2      AK-90881 [2,0,0,0,0,0|1,0,1]=4
21  B14R2.24  NC1=C(C2=CC=CC=C2)C=CN=C1      AK153603 [2,0,0,0,0,0|2,0,0]=4
22  B16R2.79341  NC1=CC(=NC(N)=N1)C2=CC=C(Cl)C=C2      AK-55156 [1,1,0,0,0,0|1,0,1]=4
23  B14R2.598  NC1=NC(N)=C(C2=CC=CC=C2)S1      AK116483 [1,0,0,0,1,0|2,0,0]=4
24  B14R2.598  O=C1C(C2=CC=CC=C2)=CC(O1)=O      AK113240 [1,0,0,0,1,0|2,0,0]=4
25  B14R2.277  CN1N=CC(Br)=C1C2=CC=CC=C2      AK167831 [1,0,0,0,1,0|2,0,0]=4