0  B5R0.1  C#CCC(=O)O B050921 [0,0,0,0,0,0|1,0,3]=4
1  B4R0.1  C#CC(=C)C B048766 [1,0,0,0,0,0|1,0,2]=4
2  B4R0.1  CSC(=N)N B022644 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.1  C#CC(=O)OCC B051748 [0,1,0,0,0,0|1,0,2]=4
4  B6R0.1  COCC(=O)NN B015437 [0,1,0,0,0,0|2,0,1]=4
5  B6R1.2  BrC1=NNC=C1 B050964 [0,0,0,1,0,0|3,0,0]=4
6  B6R1.2  CC1=CNN=C1 B014452 [0,0,0,1,0,0|3,0,0]=4
7  B6R1.2  CC1=NN=CN1 B037419 [0,0,0,1,0,0|3,0,0]=4
8  B6R1.2  CC1=NNC=C1 B022230 [0,0,0,1,0,0|2,0,0]=3
9  B6R1.2  CN1C=CC=N1 B006761 [0,0,0,1,0,0|2,0,1]=4
10  B6R1.2  CN1C=CN=C1 B039756 [0,0,0,1,0,0|3,0,0]=4
11  B6R1.2  FC1=CC=CS1 B039753 [0,0,0,1,0,0|1,1,1]=4
12  B6R1.2  IC1=NNC=C1 B050979 [0,0,0,1,0,0|3,0,0]=4
13  B6R1.2  NC1=NNC=C1 B007331 [0,0,0,1,0,0|3,0,0]=4
14  B6R1.2  NC1=NNC=C1 B037276 [0,0,0,1,0,0|3,0,0]=4
15  B5R0.3  CCC(=O)NN B015434 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.5  CC(=O)C(F)F B016253 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.3  CNCCC(=O)NC B039605 [0,2,0,0,0,0|0,0,2]=4
18  B7R0.5  CCOC(=O)C(F)F B020251 [0,2,0,0,0,0|1,0,1]=4
19  B7R0.7  CCOC(=O)CNN B020270 [0,2,0,0,0,0|1,0,1]=4
20  B7R1.1  C(=O)C1=CC=NN1 B039168 [0,1,0,1,0,0|2,0,0]=4
21  B7R1.1  ClCC1=CC=NO1 B049837 [0,1,0,1,0,0|1,0,1]=4
22  B7R1.1  ClCC1=NOC=C1 B049730 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.1  NCC1=NNC=C1 B014395 [0,1,0,1,0,0|2,0,0]=4
24  B7R1.1  OCC1=NNC=C1 B047364 [0,1,0,1,0,0|2,0,0]=4
25  B7R1.2  CC1=CC(I)=NN1 B051816 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.2  CC1=CN(C)C=N1 B046338 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.2  CC1=CN(C)N=C1 B046181 [0,1,0,1,0,0|2,0,0]=4
28  B7R1.2  CC1=NN(C)C=C1 B006757 [0,1,0,1,0,0|1,0,0]=3
29  B7R1.2  CC1=NOC(N)=C1 B030049 [0,1,0,1,0,0|1,0,1]=4
30  B7R1.2  CN1C=CC(Br)=N1 B047103 [0,1,0,1,0,0|2,0,0]=4
31  B7R1.2  CN1C=CC(I)=N1 B050971 [0,1,0,1,0,0|2,0,0]=4
32  B7R1.2  CN1C=CC(N)=N1 B014443 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.4  CC1=CC=NN1C B006758 [0,1,0,1,0,0|2,0,0]=4
34  B7R1.4  CC1=NNC=C1Br B030262 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.4  CC1=NNC=C1Cl B020772 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.4  CC1=NNC=C1I B047689 [0,1,0,1,0,0|2,0,0]=4
37  B7R1.4  CC1=NNC=C1N B020740 [0,1,0,1,0,0|2,0,0]=4
38  B7R1.4  CC1=NNC=C1N B047500 [0,1,0,1,0,0|2,0,0]=4
39  B7R1.4  CN1N=CC=C1Br B051184 [0,1,0,1,0,0|2,0,0]=4
40  B7R1.4  CN1N=CC=C1F B052471 [0,1,0,1,0,0|2,0,0]=4
41  B7R1.4  CN1N=CC=C1I B051213 [0,1,0,1,0,0|2,0,0]=4
42  B7R1.4  CN1N=CC=C1N B024266 [0,1,0,1,0,0|2,0,0]=4
43  B7R1.4  CN1N=CC=C1N B029997 [0,1,0,1,0,0|2,0,0]=4
44  B7R1.14  O=S1(=O)C=CCC1 B050519 [0,1,0,1,0,0|1,0,0]=3