0  B5R0.1  C#CCC(=O)O B050921 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  C#CC(=C)C B048766 [1,0,0,0,0,0|1,0,2]=4
2  B6R0.1  C#CC(=O)OCC B051748 [0,1,0,0,0,0|0,0,3]=4
3  B6R1.2  CC1=NN=CN1 B037419 [0,0,0,1,0,0|3,0,0]=4
4  B6R1.2  CC1=NNC=C1 B022230 [0,0,0,1,0,0|3,0,0]=4
5  B6R1.2  CN1C=CC=N1 B006761 [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  B5R0.3  CCC(=O)NN B015434 [1,1,0,0,0,0|2,0,0]=4
8  B5R0.5  CC(=O)C(F)F B016253 [1,1,0,0,0,0|1,0,1]=4
9  B7R0.5  CCOC(=O)C(F)F B020251 [0,2,0,0,0,0|0,0,2]=4
10  B7R0.7  CCOC(=O)CNN B020270 [0,2,0,0,0,0|0,0,2]=4
11  B7R1.1  ClCC1=CC=NO1 B049837 [0,1,0,1,0,0|2,0,0]=4
12  B7R1.1  NCC1=NC=CS1 B059667 [0,1,0,1,0,0|1,1,0]=4
13  B7R1.1  O=CC1=NC=CS1 B046187 [0,1,0,1,0,0|1,1,0]=4
14  B7R1.2  CC1=NN=C(N)O1 B036399 [0,1,0,1,0,0|2,0,0]=4
15  B7R1.2  CC1=NOC(N)=C1 B030049 [0,1,0,1,0,0|2,0,0]=4
16  B7R1.4  CC1=NC=CN1C B046339 [0,1,0,1,0,0|2,0,0]=4