0  B5R0.1  C#CCC(=O)O B050921 [0,0,0,0,0,0|0,0,3]=3
1  B4R0.1  CSC(=N)N B022644 [1,0,0,0,0,0|3,0,0]=4
2  B6R0.1  C#CC(=O)OCC B051748 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.1  COCC(=O)NN B015437 [0,1,0,0,0,0|2,0,1]=4
4  B6R1.2  BrC1=NNC=C1 B050964 [0,0,0,1,0,0|3,0,0]=4
5  B6R1.2  CC1=NNC=C1 B022230 [0,0,0,1,0,0|3,0,0]=4
6  B6R1.2  FC1=CC=CS1 B039753 [0,0,0,1,0,0|1,1,1]=4
7  B6R1.2  IC1=NNC=C1 B050979 [0,0,0,1,0,0|3,0,0]=4
8  B6R1.2  NC1=NNC=C1 B037276 [0,0,0,1,0,0|3,0,0]=4
9  B5R0.3  CCC(=O)NN B015434 [1,1,0,0,0,0|1,0,1]=4
10  B5R0.3  CC\C(N)=N\O B030359 [1,1,0,0,0,0|1,0,1]=4
11  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,2,0,0,0,0|1,0,1]=4
12  B7R1.1  C(=O)C1=CC=NN1 B039168 [0,1,0,1,0,0|2,0,0]=4
13  B7R1.1  CCC1=CC=NO1 B063494 [0,1,0,1,0,0|2,0,0]=4
14  B7R1.1  ClCC1=CC=NO1 B049837 [0,1,0,1,0,0|2,0,0]=4
15  B7R1.1  OCC1=NNC=C1 B047364 [0,1,0,1,0,0|2,0,0]=4
16  B7R1.2  CC1=CC(I)=NN1 B051816 [0,1,0,1,0,0|2,0,0]=4
17  B7R1.2  CC1=NN(C)C=C1 B006757 [0,1,0,1,0,0|2,0,0]=4
18  B7R1.2  CC1=NN=C(N)O1 B036399 [0,1,0,1,0,0|2,0,0]=4
19  B7R1.2  CC1=NOC(N)=C1 B030049 [0,1,0,1,0,0|1,0,0]=3
20  B7R1.2  CN1C=CC(Br)=N1 B047103 [0,1,0,1,0,0|2,0,0]=4
21  B7R1.2  CN1C=CC(I)=N1 B050971 [0,1,0,1,0,0|2,0,0]=4
22  B7R1.2  CN1C=CC(N)=N1 B014443 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.2  NC1=CC(O)=NN1 B038492 [0,1,0,1,0,0|2,0,0]=4
24  B7R1.4  CC1=C(C)ON=C1 B063491 [0,1,0,1,0,0|2,0,0]=4
25  B7R1.14  O=S1(=O)C=CCC1 B050519 [0,1,0,1,0,0|1,0,1]=4