0  B5R0.1  C#CCC(=O)O B050921 [1,0,0,0,0,0|0,0,2]=3
1  B5R0.2  CCSCCO B049702 [1,0,0,0,0,0|1,0,1]=3
2  B7R0.3  CNCCC(=O)NC B039605 [0,1,0,0,0,0|2,0,0]=3
3  B7R0.4  COCCNC(N)=S B039010 [0,1,0,0,0,0|2,1,0]=4
4  B6R0.1  C#CC(=O)OCC B051748 [1,1,0,0,0,0|2,0,0]=4
5  B6R0.1  COCC(=O)NN B015437 [1,1,0,0,0,0|2,0,0]=4
6  B8R0.23  CC(CN(C)C)C(=O)O B039611 [0,2,0,0,0,0|1,0,0]=3
7  B8R0.6  CCCCCC(=O)NN B014970 [0,2,0,0,0,0|1,0,0]=3
8  B8R0.6  CCNCCC(=O)NN B039571 [0,2,0,0,0,0|1,0,0]=3
9  B8R0.8  CCCCC(N)C(C)=O B050536 [0,2,0,0,0,0|1,0,0]=3
10  B8R0.9  CCN(C)CCC(=O)O B039614 [0,2,0,0,0,0|0,0,0]=2
11  B8R0.25  C#CC(C)(O)CCCC B049583 [0,2,0,0,0,0|1,0,1]=4
12  B8R0.7  CC(=O)CCCOC=O B048519 [0,2,0,0,0,0|1,0,1]=4
13  B8R0.28  NC(=O)COCC(=O)O B039405 [0,2,0,0,0,0|1,0,1]=4
14  B8R1.51  NC1CCS(=O)(=O)C1 B039478 [0,1,0,1,0,0|1,0,1]=4
15  B8R1.51  O=S1(=O)CCC(O)C1 B048719 [0,1,0,1,0,0|1,0,1]=4
16  B8R1.2  C#CC1=CCCCC1 B050145 [0,1,0,1,0,0|2,0,0]=4
17  B8R1.5  NC1CCCNC1=O B039480 [0,1,0,1,0,0|1,0,0]=3
18  B8R1.38  NNC(=O)C1CCC1 B039657 [0,1,0,1,0,0|1,0,0]=3
19  B8R1.52  C#CC1(O)CCCC1 B048758 [0,1,0,1,0,0|1,0,1]=4
20  B8R1.72  O=S1(=O)CCNCC1 B050855 [0,1,0,1,0,0|1,0,1]=4