0  B13R2.32  NC1=C(Br)C2=C(C=NC=C2)C=C1 BCP13670 [1,0,0,0,0,0|3,0,0]=4
1  B13R2.32  NC1=C2C=CC=NC2=CC=C1Cl BCP11502 [1,0,0,0,0,0|2,0,0]=3
2  B13R2.1613  BrCc1cccc2c1nccc2 BCP07935 [1,0,0,0,0,0|2,0,0]=3
3  B13R2.1613  C#CC1=C2N=CC=CC2=CC=C1 BCP10619 [1,0,0,0,0,0|2,0,1]=4
4  B13R2.1613  NCC1=C2C(N=CC=C2)=CC=C1 BCP11576 [1,0,0,0,0,0|1,0,0]=2
5  B13R2.1613  OCC1=CC=CC2=NC=CC=C21 BCP11580 [1,0,0,0,0,0|2,0,0]=3
6  B12R2.24  BrC1=CC2=NC=CC=C2C=C1 BCP08383 [2,0,0,0,0,0|2,0,0]=4
7  B12R2.24  ClC1=CC2=CC=CN=C2C=C1 BCP20124 [2,0,0,0,0,0|2,0,0]=4
8  B12R2.24  FC1=CC=C2C=NC=CC2=C1 BCP02781 [2,0,0,0,0,0|2,0,0]=4
9  B12R2.24  IC1=CC2=C(C=CC=C2)C=C1 BCP13447 [2,0,0,0,0,0|1,0,0]=3
10  B12R2.24  OC1=CC2=CC=CC=C2N=C1 BCP20129 [2,0,0,0,0,0|1,0,0]=3
11  B12R2.1081  ClC1=CC=CC2=CC=CN=C21 BCP19319 [2,0,0,0,0,0|2,0,0]=4
12  B12R2.1081  ClC1=NC=CC2=C1C=CC=C2 BCP08062 [2,0,0,0,0,0|2,0,0]=4
13  B12R2.1081  FC1=C2C(C=CC=C2)=CC=C1 BCP11223 [2,0,0,0,0,0|1,0,0]=3
14  B12R2.1081  FC1=CC=CC2=CC=CN=C21 BCP19389 [2,0,0,0,0,0|2,0,0]=4
15  B12R2.1081  IC1=CN=CC2=CC=CC=C12 BCP20025 [2,0,0,0,0,0|2,0,0]=4
16  B12R2.1081  NC1=C2C(C=CC=N2)=NC=C1 BCP06863 [2,0,0,0,0,0|2,0,0]=4
17  B12R2.1081  Nc1nccc2ccccc12 BCP05774 [2,0,0,0,0,0|1,0,0]=3
18  B14R2.29369  OC1=C(F)C2=C(C=C1)C=C(Br)C=C2 BCP20571 [1,1,0,0,0,0|1,0,0]=3
19  B14R2.1131  BrC1=CC=C(C#N)C2=C1C=CC=C2 BCP17063 [1,1,0,0,0,0|0,0,2]=4
20  B14R2.1131  NC1=C2C(C=CC=C2)=C(C#N)C=C1 BCP15297 [1,1,0,0,0,0|0,0,2]=4
21  B14R2.31359  CC(N)C1=C2C=CC=CC2=CC=C1 BCP19747 [1,1,0,0,0,0|0,0,0]=2
22  B14R2.31359  C[C@@H](N)C1=C2C=CC=CC2=CC=C1 BCP04655 [1,1,0,0,0,0|0,0,0]=2
23  B14R2.31359  N[C](C)C1=CC=CC2=C1C=CC=C2 BCP19539 [1,1,0,0,0,0|0,0,1]=3
24  B14R2.31359  S=C(C1=CN=CC2=C1C=CC=C2)N BCP15438 [1,1,0,0,0,0|1,0,1]=4
25  B16R2.28256  O=CC1=C2C=CC=CC2=CC=C1OCC BCP18353 [0,2,0,0,0,0|1,0,1]=4
26  B14R3.164  C12=CC=CC3=C1C(C=C2)=CC=C3 BCP15705 [1,0,0,1,0,0|1,0,1]=4
27  B12R2.1  OCC1=CNC2=C1C=CC=C2 BCP00087 [1,0,0,0,1,0|2,0,0]=4