0  B6R1.2  NC1=CCNN1 B029440 [0,0,0,0,0,0|3,0,1]=4
1  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,1,0,0,0,0|1,0,2]=4
2  B7R1.14  CC1(C)CCCN1 B039503 [0,1,0,0,0,0|2,0,1]=4
3  B7R1.14  O=S1(=O)C=CCC1 B050519 [0,1,0,0,0,0|1,0,2]=4
4  B5R0.1  C#CCC(=O)O B050921 [0,0,1,0,0,0|1,0,2]=4
5  B5R0.1  CC(N)CCO B039558 [0,0,1,0,0,0|2,0,1]=4
6  B5R0.2  CCSCCO B049702 [0,0,1,0,0,0|1,0,2]=4
7  B5R0.3  CCC(=O)NN B015434 [0,0,1,0,0,0|2,0,0]=3
8  B5R0.3  CC\C(N)=N\O B030359 [0,0,1,0,0,0|3,0,0]=4
9  B7R1.3  NC1CCCOC1 B049073 [0,0,0,0,0,1|1,0,1]=3
10  B7R1.3  NC1CCOCC1 B050801 [0,0,0,0,0,1|1,0,1]=3
11  B6R0.1  C#CC(=O)OCC B051748 [0,1,1,0,0,0|1,0,1]=4
12  B6R0.1  COCC(=O)NN B015437 [0,1,1,0,0,0|2,0,0]=4
13  B8R1.2  C#CC1=CCCCC1 B050145 [0,1,0,0,0,1|1,0,0]=3
14  B8R1.2  CCC1CCNCC1 B039287 [0,1,0,0,0,1|1,0,1]=4
15  B8R1.2  NCC1CCCOC1 B049869 [0,1,0,0,0,1|1,0,1]=4
16  B8R1.3  CN1CCC(N)CC1 B016064 [0,1,0,0,0,1|1,0,1]=4
17  B8R1.3  CN1CCC(N)CC1 B036196 [0,1,0,0,0,1|1,0,1]=4
18  B8R1.4  CC1CCNC(C)C1 B016012 [0,1,0,0,0,1|1,0,1]=4
19  B8R1.5  CC1=NCCCN1C B048583 [0,1,0,0,0,1|2,0,0]=4
20  B8R1.5  CC1CCCNC1C B052585 [0,1,0,0,0,1|1,0,1]=4
21  B8R1.5  NC1CCCNC1=O B039480 [0,1,0,0,0,1|0,0,0]=2
22  B8R1.72  O=S1(=O)CCNCC1 B050855 [0,1,0,0,0,1|1,0,0]=3
23  B8R1.7  NC(=O)C1=NCCN1 B049605 [0,2,0,0,0,0|2,0,0]=4
24  B8R1.52  C#CC1(O)CCCC1 B048758 [0,2,0,0,0,0|0,0,2]=4
25  B8R1.51  NC1CCS(=O)(=O)C1 B039478 [0,2,0,0,0,0|1,0,0]=3
26  B8R1.51  O=S1(=O)CCC(O)C1 B048719 [0,2,0,0,0,0|1,0,0]=3
27  B6R1.11  CC(N)C1CC1 B039284 [0,0,1,1,0,0|1,0,1]=4