0  B5R0.3  CCC(=O)NN B015434 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.3  CC\C(N)=N\O B030359 [0,0,0,0,0,0|2,0,2]=4
2  B4R0.1  C#CC(=C)C B048766 [1,0,0,0,0,0|0,0,2]=3
3  B4R0.1  CSC(=N)N B022644 [1,0,0,0,0,0|3,0,0]=4
4  B6R1.2  BrC1=CNN=C1 B001462 [0,0,0,1,0,0|3,0,0]=4
5  B6R1.2  BrC1=CSN=C1 B049126 [0,0,0,1,0,0|2,1,0]=4
6  B6R1.2  CC1=CNN=C1 B014452 [0,0,0,1,0,0|2,0,0]=3
7  B6R1.2  CC1=NNC=C1 B022230 [0,0,0,1,0,0|2,0,1]=4
8  B6R1.2  CN1C=CN=C1 B039756 [0,0,0,1,0,0|2,0,1]=4
9  B6R1.2  ClC1=CNN=C1 B001464 [0,0,0,1,0,0|3,0,0]=4
10  B6R1.2  IC1=CNN=C1 B037442 [0,0,0,1,0,0|3,0,0]=4
11  B6R1.2  NC1=CCNN1 B029440 [0,0,0,1,0,0|3,0,0]=4
12  B6R1.2  NC1=CNN=C1 B035785 [0,0,0,1,0,0|3,0,0]=4
13  B6R1.2  NC1=CNN=C1 B035956 [0,0,0,1,0,0|3,0,0]=4
14  B5R0.5  CC(=O)C(F)F B016253 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,2,0,0,0,0|1,0,1]=4
16  B7R1.1  C(=O)C1=CC=NN1 B039168 [0,1,0,1,0,0|1,0,1]=4
17  B7R1.1  NCC1=CNN=C1 B037991 [0,1,0,1,0,0|2,0,0]=4
18  B7R1.1  NCC1=CNN=C1 B046389 [0,1,0,1,0,0|2,0,0]=4
19  B7R1.1  O=CC1=CNN=C1 B015969 [0,1,0,1,0,0|1,0,1]=4
20  B7R1.1  O=CC1=CNN=C1 B039241 [0,1,0,1,0,0|1,0,1]=4
21  B7R1.1  O=CC1=NC=CS1 B046187 [0,1,0,1,0,0|1,0,1]=4
22  B7R1.1  OCC1=CNN=C1 B047363 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.2  CC1=CN(C)C=N1 B046338 [0,1,0,1,0,0|2,0,0]=4
24  B7R1.2  CC1=CN(C)N=C1 B046181 [0,1,0,1,0,0|1,0,0]=3
25  B7R1.2  CC1=NN(C)C=C1 B006757 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.2  CN1C=C(Br)C=N1 B040735 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.2  CN1C=C(Cl)C=N1 B040734 [0,1,0,1,0,0|2,0,0]=4
28  B7R1.2  CN1C=C(I)C=N1 B047728 [0,1,0,1,0,0|2,0,0]=4
29  B7R1.2  CN1C=C(N)C=N1 B022860 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.2  CN1C=C(N)C=N1 B037105 [0,1,0,1,0,0|2,0,0]=4
31  B7R1.4  CC1=CC=NN1C B006758 [0,1,0,1,0,0|2,0,0]=4
32  B7R1.4  CC1=CN=CN1C B051897 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.4  CC1=CNN=C1N B007334 [0,1,0,1,0,0|2,0,0]=4
34  B7R1.4  CC1=CNN=C1N B039349 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.4  CC1=NC=CN1C B046339 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.4  CC1=NNC=C1Br B030262 [0,1,0,1,0,0|2,0,0]=4
37  B7R1.4  CC1=NNC=C1Cl B020772 [0,1,0,1,0,0|2,0,0]=4
38  B7R1.4  CC1=NNC=C1I B047689 [0,1,0,1,0,0|2,0,0]=4
39  B7R1.4  CC1=NNC=C1N B020740 [0,1,0,1,0,0|2,0,0]=4
40  B7R1.4  CC1=NNC=C1N B047500 [0,1,0,1,0,0|2,0,0]=4