0  B6R0.6  CCCCCCO M29392 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.6  CC\C=C/CCO M27539 [0,0,0,0,0,0|3,0,1]=4
2  B6R0.6  COCCCCO M22101 [0,0,0,0,0,0|4,0,0]=4
3  B6R0.6  ClCCNCCCl M16053 [0,0,0,0,0,0|2,0,0]=2
4  B6R0.6  N#CCCCCCl M27271 [0,0,0,0,0,0|2,0,2]=4
5  B6R0.6  NCCCCCN M19735 [0,0,0,0,0,0|1,0,0]=1
6  B6R0.6  OCCNCCO M19680 [0,0,0,0,0,0|2,0,0]=2
7  B6R0.6  OCCSCCO M10422 [0,0,0,0,0,0|3,0,0]=3
8  B5R0.2  CCCSSC M28231 [1,0,0,0,0,0|3,0,0]=4
9  B5R0.2  NCCCCN M19711 [1,0,0,0,0,0|0,0,0]=1
10  B7R0.1  CCCSSCCC M24629 [0,1,0,0,0,0|3,0,0]=4
11  B7R0.1  COCCOCCBr M26972 [0,1,0,0,0,0|3,0,0]=4
12  B7R0.1  NCCCNCCS M29602 [0,1,0,0,0,0|1,0,0]=2
13  B7R0.1  NCCSSCCN M24550 [0,1,0,0,0,0|1,0,0]=2
14  B7R0.4  CCCCCC(C)N M10956 [0,1,0,0,0,0|2,0,0]=3
15  B7R0.4  CCCCCC(C)O M28052 [0,1,0,0,0,0|3,0,0]=4
16  B7R0.4  NCCCCC(=O)O M19658 [0,1,0,0,0,0|2,0,1]=4
17  B7R0.7  CN(CCCl)CCCl M15032 [0,1,0,0,0,0|2,0,0]=3
18  B7R1.3  NN1CCCCC1 M15389 [0,0,0,1,0,0|3,0,0]=4
19  B4R0.2  CCCCO M19029 [2,0,0,0,0,0|1,0,0]=3
20  B4R0.2  CCNCC M24671 [2,0,0,0,0,0|0,0,0]=2
21  B4R0.2  COCCO M19726 [2,0,0,0,0,0|2,0,0]=4
22  B4R0.2  N#CCCN M26531 [2,0,0,0,0,0|0,0,2]=4
23  B4R0.2  NCCCN M19709 [2,0,0,0,0,0|0,0,0]=2
24  B4R0.2  OCCCO M28314 [2,0,0,0,0,0|2,0,0]=4
25  B6R0.1  COC(=O)CCN M21383 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.4  N=C(N)SCCN M20857 [1,1,0,0,0,0|1,0,1]=4
27  B6R0.4  NCCCC(=O)O M15043 [1,1,0,0,0,0|1,0,1]=4
28  B8R0.4  NCCCCCCCN M21554 [0,2,0,0,0,0|1,0,0]=3
29  B8R0.4  NCCCNCCCN M19708 [0,2,0,0,0,0|0,0,0]=2
30  B8R0.7  N=C(N)NCCCCN M19581 [0,2,0,0,0,0|1,0,1]=4
31  B8R0.7  NCCCCCC(=O)O M15254 [0,2,0,0,0,0|2,0,0]=4
32  B8R0.28  CC(C)CCCC(C)N M14951 [0,2,0,0,0,0|2,0,0]=4
33  B8R0.28  CC(C)CCCC(C)N M27569 [0,2,0,0,0,0|2,0,0]=4
34  B6R1.1  C1CNCCN1 M19487 [1,0,0,1,0,0|0,0,0]=2
35  B6R1.2  CC1=NCCN1 M27364 [1,0,0,1,0,0|0,0,2]=4
36  B6R1.2  O=C1CCCN1 M20031 [1,0,0,1,0,0|1,0,1]=4
37  B6R1.2  O=C1NCCN1 M10780 [1,0,0,1,0,0|1,0,1]=4
38  B6R1.2  S=C1NCCN1 M27229 [1,0,0,1,0,0|1,0,1]=4
39  B8R1.5  NC1CCCNC1=O M26537 [0,1,0,1,0,0|1,0,1]=4
40  B8R1.22  O=C1CCCCCN1 M27265 [0,1,0,1,0,0|2,0,0]=4
41  B8R1.4  CC1CCCC(C)N1 M14714 [0,1,0,1,0,0|2,0,0]=4