0  B7R1.4  CC1=NNN=C1Br H10262 [0,0,0,0,0,0|4,0,0]=4
1  B7R1.4  CN1C=NN=C1Br H11179 [0,0,0,0,0,0|4,0,0]=4
2  B7R1.4  CN1CC=CC1=O N13365 [0,0,0,0,0,0|3,0,1]=4
3  B7R1.4  ClC1=C(I)SC=C1 P18106 [0,0,0,0,0,0|4,0,0]=4
4  B7R1.4  FC1=CNC=C1F P18993 [0,0,0,0,0,0|3,0,0]=3
5  B7R1.4  FC1=NNC=C1Br P15391 [0,0,0,0,0,0|4,0,0]=4
6  B6R1.2  BrC1=CC=NO1 A51037 [1,0,0,0,0,0|3,0,0]=4
7  B6R1.2  BrC1=COC=N1 AT22646 [1,0,0,0,0,0|2,1,0]=4
8  B6R1.2  FC1=CSC=C1 T72274 [1,0,0,0,0,0|1,0,0]=2
9  B8R1.11  CC1=NOC=C1CN Y14820 [0,1,0,0,0,0|1,1,0]=3
10  B8R1.50  CC1=CNC(=O)N1C AT20167 [0,1,0,0,0,0|2,0,0]=3
11  B8R1.50  CC1=CSC(C)=C1Br O10952 [0,1,0,0,0,0|1,0,0]=2
12  B8R1.50  CN1C=NC(F)=C1Br 73202 [0,1,0,0,0,0|3,0,0]=4
13  B8R1.4  CC1=CCCC(=O)C1 D79894 [0,0,0,0,0,1|2,0,1]=4
14  B8R1.5  CC1=C(Br)C=NN=C1 AT12789 [0,0,0,0,0,1|2,0,0]=3
15  B8R1.5  CC1=CN=NC=C1N P18597 [0,0,0,0,0,1|2,0,0]=3
16  B7R1.1  NCC1=CON=C1 H10991 [1,1,0,0,0,0|1,1,0]=4
17  B7R1.1  OCC1=NSC=C1 AT21123 [1,1,0,0,0,0|1,0,0]=3
18  B7R1.2  CC1=NC(N)=CS1 AC8716 [1,1,0,0,0,0|2,0,0]=4
19  B7R1.2  ClC1=CC(Br)=CS1 AT16572 [1,1,0,0,0,0|1,0,0]=3
20  B7R1.2  FC1=CSC(Br)=C1 T70774 [1,1,0,0,0,0|1,0,0]=3
21  B7R1.2  NC1=NC(Cl)=CS1 F13355 [1,1,0,0,0,0|2,0,0]=4
22  B9R1.2  CC1=CC(CCl)=NN=C1 F30431 [0,1,0,0,0,1|2,0,0]=4
23  B9R1.2  CC1=CN=NC(CN)=C1 P15265 [0,1,0,0,0,1|2,0,0]=4
24  B9R1.2  FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,1|2,0,0]=4
25  B9R1.34  CC1=CC(Br)=CC(F)=N1 91513 [0,1,0,0,0,1|2,0,0]=4
26  B9R1.34  CC1=CC(I)=CC(Cl)=N1 C71881 [0,1,0,0,0,1|2,0,0]=4
27  B9R1.69  CC1=C(Br)C=CC(N)=C1 D73188 [0,1,0,0,0,1|2,0,0]=4
28  B9R1.69  CC1=C(Cl)N=CC(Br)=N1 C14197 [0,1,0,0,0,1|2,0,0]=4
29  B9R1.69  CC1=CC(O)=C(N)N=C1 C15261 [0,1,0,0,0,1|2,0,0]=4
30  B9R1.69  CC1=CC=C(O)C(F)=N1 D74688 [0,1,0,0,0,1|2,0,0]=4
31  B9R1.69  CC1=CNC(=O)C(Cl)=N1 N13244 [0,1,0,0,0,1|2,0,0]=4
32  B9R1.69  CC1=NC(Cl)=CNC1=O F11838 [0,1,0,0,0,1|2,0,0]=4
33  B9R1.15  CC1=C(CBr)C=CN=C1 D80203 [0,1,0,0,0,1|1,0,0]=3
34  B9R1.15  CC1=C(CN)N=NC=C1 P17707 [0,1,0,0,0,1|2,0,0]=4
35  B9R1.15  CC1=C(CO)C=CN=N1 F30531 [0,1,0,0,0,1|2,0,0]=4
36  B9R1.15  CSC1=C(N)N=CC=C1 D83379 [0,1,0,0,0,1|2,0,0]=4
37  B9R1.15  NCC1=C(Cl)C=CN=C1 D72882 [0,1,0,0,0,1|2,0,0]=4
38  B9R1.15  NCC1=C(O)C=NC=C1 C11102 [0,1,0,0,0,1|2,0,0]=4
39  B9R1.15  OCC1=C(Br)C=NC=N1 AC8251 [0,1,0,0,0,1|2,0,0]=4
40  B9R1.22  CC1=CN(C)N=C1CO F50015 [0,2,0,0,0,0|2,0,0]=4
41  B9R1.41  CC(=O)C1=CSC=C1Cl 82933 [0,2,0,0,0,0|1,0,0]=3
42  B9R1.41  CC(C)C1=CN=CN1C F51223 [0,2,0,0,0,0|2,0,0]=4
43  B9R1.37  CC1=C(Br)SC(Br)=C1C W19156 [0,2,0,0,0,0|0,0,0]=2
44  B9R2.3  C1=CC2=CSC=C2S1 F19736 [0,1,0,1,0,0|0,0,2]=4