0  B10R1.13  N1=C(C=CC(=C1)B(O)O)C AP00138 [0,1,0,0,0,0|2,0,1]=4
1  B10R1.15  BrCC(=O)C1=NC=CN=C1 AP00122 [0,1,0,0,0,0|2,0,0]=3
2  B10R1.28  N1=CC(=CC=C1)S(=O)(=O)Cl AP00342 [0,1,0,0,0,0|2,0,0]=3
3  B10R1.113  ClC=1C=C(C(=N)N)C=CC1 AP00235 [0,1,0,0,0,0|2,0,0]=3
4  B8R1.7  S1C(=NC=C1)C(=O)O AP00240 [0,0,0,0,1,0|2,0,0]=3
5  B8R1.7  S1C=NC=C1C(=O)O AP00203 [0,0,0,0,1,0|2,0,0]=3
6  B9R1.1  BrC=1C=CC(=NC1)C=O AP00141 [1,1,0,0,0,0|2,0,0]=4
7  B9R1.2  BrC=1C=NC=C(C1)C=C AP00154 [1,1,0,0,0,0|1,0,0]=3
8  B9R1.2  ClC=1C=C(C=O)C=CN1 AP00142 [1,1,0,0,0,0|2,0,0]=4
9  B9R1.8  CNCC=1C=NC=CC1 AP00307 [1,1,0,0,0,0|0,0,1]=3
10  B9R1.15  ClC=1C(=NC=CN1)CN AP10337 [1,1,0,0,0,0|1,0,1]=4
11  B9R1.15  NC=1C=NC=CC1C=O AP00143 [1,1,0,0,0,0|2,0,0]=4
12  B9R1.35  BrC=1C=C(OC1)C(=O)O AP00146 [0,1,0,0,1,0|2,0,0]=4
13  B9R1.35  CC=1N=C(NC1)C(=O)O AP00277 [0,1,0,0,1,0|2,0,0]=4
14  B9R1.35  CC=1SC=C(N1)C(=O)O AP00186 [0,1,0,0,1,0|2,0,0]=4
15  B9R1.35  ClC1=CC=C(S1)C(=O)Cl AP00534 [0,1,0,0,1,0|2,0,0]=4
16  B9R1.35  ClC1=CC=C(S1)C(=O)O AP00533 [0,1,0,0,1,0|2,0,0]=4
17  B9R1.41  NC1=C(N=CN1)C(=O)N AP00406 [0,1,0,0,1,0|1,0,0]=3
18  B9R1.41  NC1=NNC=C1C(=O)O AP00198 [0,1,0,0,1,0|2,0,0]=4
19  B11R1.36  C[C@H](c1ccccc1)C(=O)O AP00196 [0,1,0,0,0,1|2,0,0]=4
20  B11R1.3  BrCC1=CC=C(C(=O)O)C=C1 AP00568 [0,2,0,0,0,0|2,0,0]=4
21  B11R1.3  ClCC1=CC=C(C(=O)O)C=C1 AP00569 [0,2,0,0,0,0|2,0,0]=4
22  B11R1.166  ClC1=NC(=CC=C1[N+](=O)[O-])Cl AP00566 [0,2,0,0,0,0|2,0,0]=4
23  B11R1.166  NC1=NC(=CC=C1[N+](=O)[O-])Cl AP00564 [0,2,0,0,0,0|2,0,0]=4
24  B11R1.23  CNC(=O)C1=NC=CC(=C1)Cl AP10029 [0,2,0,0,0,0|2,0,0]=4
25  B11R1.74  FC=1C=C(C(=N)N)C=C(C1)F AP00232 [0,2,0,0,0,0|2,0,0]=4
26  B11R1.266  COC1=CN=CC(=N1)C(N)=S AP00160 [0,2,0,0,0,0|1,1,0]=4
27  B11R2.1  C1(CCC2=CC=CC=C12)=O AP10202 [0,1,0,1,0,0|2,0,0]=4