0  B10R1.113  ClC=1C=C(C(=N)N)C=CC1 AP00235 [0,0,0,0,0,0|3,0,0]=3
1  B9R1.2  BrC=1C=NC=C(C1)C=C AP00154 [1,0,0,0,0,0|3,0,0]=4
2  B9R1.2  ClC=1C=C(C=O)C=CN1 AP00142 [1,0,0,0,0,0|2,0,0]=3
3  B9R1.2  NC=1C=C(C=CC1)C#C AP10031 [1,0,0,0,0,0|2,0,1]=4
4  B11R1.23  CNC(=O)C1=NC=CC(=C1)Cl AP10029 [0,1,0,0,0,0|3,0,0]=4
5  B11R1.74  FC=1C=C(C(=N)N)C=C(C1)F AP00232 [0,1,0,0,0,0|3,0,0]=4
6  B9R1.35  BrC=1C=C(OC1)C(=O)O AP00146 [0,0,0,0,1,0|2,0,0]=3
7  B9R1.35  CC=1N=C(NC1)C(=O)O AP00277 [0,0,0,0,1,0|3,0,0]=4
8  B9R1.35  CC=1SC=C(N1)C(=O)O AP00186 [0,0,0,0,1,0|3,0,0]=4
9  B9R1.35  ClC1=CC=C(S1)C(=O)Cl AP00534 [0,0,0,0,1,0|3,0,0]=4
10  B9R1.35  ClC1=CC=C(S1)C(=O)O AP00533 [0,0,0,0,1,0|2,0,0]=3
11  B9R1.41  NC1=NNC=C1C(=O)O AP00198 [0,0,0,0,1,0|3,0,0]=4
12  B10R1.8  C(C)C=1C=C(C=C(C1)C)O AP00304 [1,1,0,0,0,0|1,0,1]=4
13  B12R1.232  CC=1C=C(C(NC1C)=O)C(=O)O AP00313 [0,2,0,0,0,0|2,0,0]=4
14  B12R1.354  BrCC(=O)C1=C(C=CC(=C1)F)F AP00317 [0,2,0,0,0,0|2,0,0]=4
15  B12R1.435  COC(=O)C1=CC(=NC=C1)C#N AP00331 [0,2,0,0,0,0|2,0,0]=4
16  B12R1.440  FC1=C(C=CC=C1OC)B(O)O AP10331 [0,2,0,0,0,0|1,0,1]=4
17  B12R2.606  ClC=1C=CC2=C(NC(O2)=S)C1 AP10190 [0,0,0,1,0,1|1,1,0]=4
18  B12R2.606  ClC=1OC2=C(N1)C=C(C=C2)Cl AP10188 [0,0,0,1,0,1|2,0,0]=4
19  B12R2.606  FC=1C=C2CC(NC2=CC1)=O AP00027 [0,0,0,1,0,1|2,0,0]=4
20  B8R1.7  S1C(=NC=C1)C(=O)O AP00240 [1,0,0,0,1,0|2,0,0]=4
21  B8R1.7  S1C=NC=C1C(=O)O AP00203 [1,0,0,0,1,0|2,0,0]=4