0  B5R0.1  C#CCC(=O)O B050921 [0,0,0,0,0,0|1,0,2]=3
1  B5R0.1  CC(N)CCO B039558 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  CSC(=N)N B022644 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.1  C#CC(=O)OCC B051748 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.1  CNC(C)CCO B039563 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  COCC(=O)NN B015437 [0,1,0,0,0,0|1,0,0]=2
6  B6R0.3  N#CC(N)C(N)=O B048693 [0,1,0,0,0,0|1,0,1]=3
7  B6R1.2  NC1=CCNN1 B029440 [0,0,0,1,0,0|2,0,1]=4
8  B6R1.11  CC(N)C1CC1 B039284 [0,0,0,1,0,0|1,0,1]=3
9  B5R0.3  CCC(=O)NN B015434 [1,1,0,0,0,0|0,0,0]=2
10  B5R0.3  CC\C(N)=N\O B030359 [1,1,0,0,0,0|0,0,1]=3
11  B5R0.5  CC(=O)C(F)F B016253 [1,1,0,0,0,0|2,0,0]=4
12  B5R0.2  CCSCCO B049702 [1,1,0,0,0,0|0,0,2]=4
13  B7R0.3  CNCCC(=O)NC B039605 [0,2,0,0,0,0|0,0,0]=2
14  B7R0.5  CCOC(=O)C(F)F B020251 [0,2,0,0,0,0|2,0,0]=4
15  B7R0.7  CCOC(=O)CNN B020270 [0,2,0,0,0,0|1,0,0]=3
16  B7R0.11  CNS(=O)(=O)CCN B050559 [0,2,0,0,0,0|2,0,0]=4
17  B7R0.9  O=C(O)CC(F)(F)F B039718 [0,2,0,0,0,0|2,0,0]=4
18  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.4  COCCNC(N)=S B039010 [0,2,0,0,0,0|0,1,0]=3
20  B7R1.3  NC1CCCOC1 B049073 [0,1,0,1,0,0|0,0,2]=4
21  B7R1.3  NC1CCOCC1 B050801 [0,1,0,1,0,0|1,0,1]=4
22  B7R1.22  NNC(=O)C1CC1 B014982 [0,1,0,1,0,0|0,0,0]=2
23  B7R1.14  CC1(C)CCCN1 B039503 [0,1,0,1,0,0|1,0,1]=4