0  B6R0.1  C#CC(=O)OCC B051748 [0,0,0,0,0,0|0,0,2]=2
1  B6R0.1  CCNC(C)CO B039551 [0,0,0,0,0,0|3,0,1]=4
2  B6R0.1  COCC(=O)NN B015437 [0,0,0,0,0,0|4,0,0]=4
3  B5R0.2  CCSCCO B049702 [1,0,0,0,0,0|1,1,1]=4
4  B5R0.3  CCC(=O)NN B015434 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.3  CC\C(N)=N\O B030359 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.3  CCN(C)CCCO B039576 [0,1,0,0,0,0|3,0,0]=4
7  B7R0.3  CNCCC(=O)NC B039605 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.5  CCOC(=O)C(F)F B020251 [0,1,0,0,0,0|1,0,0]=2
9  B7R0.7  CCNC(C)CCO B039584 [0,1,0,0,0,0|2,0,1]=4
10  B7R0.7  CCOC(=O)CNN B020270 [0,1,0,0,0,0|1,0,0]=2
11  B7R0.7  O=S(CCO)CCO B048617 [0,1,0,0,0,0|3,0,0]=4
12  B7R1.22  NNC(=O)C1CC1 B014982 [0,0,0,1,0,0|3,0,0]=4
13  B8R0.14  CNCC(=O)C(C)(C)C B050190 [0,2,0,0,0,0|2,0,0]=4
14  B8R0.22  C#CC(OCC)OCC B049130 [0,2,0,0,0,0|1,0,1]=4
15  B8R1.2  C#CC1=CCCCC1 B050145 [0,1,0,1,0,0|2,0,0]=4
16  B8R1.5  NC1CCCNC1=O B039480 [0,1,0,1,0,0|1,0,0]=3
17  B8R1.7  CC(N)C1CCCO1 B006178 [0,1,0,1,0,0|1,0,1]=4