0  B9R1.2  COC1=CC(N)=NC=C1 HB048-1 [1,0,0,0,0,0|3,0,0]=4
1  B9R1.2  COC1=CC=CC(N)=N1 HB083-1 [1,0,0,0,0,0|3,0,0]=4
2  B9R1.2  COC1=CN=CC(Cl)=C1 HB131-1 [1,0,0,0,0,0|2,1,0]=4
3  B9R1.2  COC1=CN=CC(I)=C1 HB113-1 [1,0,0,0,0,0|2,1,0]=4
4  B9R1.2  COC1=CN=CC(O)=C1 HB125-1 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.2  COC1=NC(I)=CC=C1 HB068-1 [1,0,0,0,0,0|2,1,0]=4
6  B9R1.2  COC1=NC=CC(N)=C1 HB049-1 [1,0,0,0,0,0|3,0,0]=4
7  B9R1.2  ClCC1=CC(I)=CN=C1 HB116-1 [1,0,0,0,0,0|2,1,0]=4
8  B9R1.2  NC1=NC=CC(CO)=C1 HB036-1 [1,0,0,0,0,0|3,0,0]=4
9  B9R1.2  OCC1=CC(I)=CN=C1 HB115-1 [1,0,0,0,0,0|2,1,0]=4
10  B9R1.2  OCC1=NC(I)=CC=C1 HB075-1 [1,0,0,0,0,0|2,1,0]=4
11  B9R1.2  OCC1=NC=CC(Cl)=C1 HB045-1 [1,0,0,0,0,0|2,1,0]=4
12  B11R1.23  NC[C@H](O)C1=CC(Cl)=CC=C1 RC807-1 [0,1,0,0,0,0|0,1,0]=2
13  B11R1.23  OC[C@H](O)C1=CC=CC(Cl)=C1 RC626-1 [0,1,0,0,0,0|1,1,0]=3
14  B11R2.36  FC1=CN=C2NC=CC2=C1 HC063-1 [0,0,0,1,0,0|1,0,2]=4
15  B8R1.4  NC1=CC(Br)=CN=C1 HB108-1 [2,0,0,0,0,0|1,1,0]=4
16  B8R1.4  NC1=CC(I)=CN=C1 HB119-1 [2,0,0,0,0,0|1,1,0]=4
17  B8R1.4  NC1=NC(I)=CC=C1 HB074-1 [2,0,0,0,0,0|1,1,0]=4
18  B8R1.4  NC1=NC=CC(Cl)=C1 HB047-1 [2,0,0,0,0,0|1,1,0]=4
19  B10R1.30  OCC1=CC(F)=CN=C1Cl HB373-1 [1,1,0,0,0,0|2,0,0]=4
20  B12R1.374  NC1=C(CCCO)C=C(F)C=N1 HB294-1 [0,2,0,0,0,0|2,0,0]=4
21  B12R1.374  OCCCC1=C(Cl)N=CC(F)=C1 HB297-1 [0,2,0,0,0,0|2,0,0]=4
22  B12R1.374  OCCCC1=C(O)N=CC(F)=C1 HB296-1 [0,2,0,0,0,0|2,0,0]=4
23  B12R2.1081  BrC1=C2NCCOC2=CN=C1 HC459-1 [0,1,0,1,0,0|1,1,0]=4
24  B12R2.24  BrC1=CN=C2NCCOC2=C1 HC447-1 [0,1,0,1,0,0|1,1,0]=4
25  B12R2.24  BrC1=NC2=C(C=C1)NCCO2 HC468-1 [0,1,0,1,0,0|1,1,0]=4
26  B12R2.24  FC1=CN=C2OCCCC2=C1 HC500-1 [0,1,0,1,0,0|2,0,0]=4
27  B12R2.24  IC1=NC2=C(C=C1)NCCO2 HC467-1 [0,1,0,1,0,0|1,1,0]=4
28  B12R2.606  O=C1CC2=CC(F)=CN=C2N1 HC228-1 [0,1,0,1,0,0|1,0,1]=4