0  B7R0.1  C=CCCCCCC BBL027759 [0,0,0,0,0,0|1,0,2]=3
1  B7R0.1  CCCCCCCI BBL027321 [0,0,0,0,0,0|1,0,3]=4
2  B6R0.6  CCCCCCBr BBL012217 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.6  CCCCCCI BBL011465 [1,0,0,0,0,0|1,0,2]=4
4  B6R0.6  CCCCCCN BBL011106 [1,0,0,0,0,0|1,0,2]=4
5  B6R0.6  CCCCN=C=O BBL027371 [1,0,0,0,0,0|1,0,2]=4
6  B6R0.6  CCCCOC=O BBL012218 [1,0,0,0,0,0|1,0,1]=3
7  B6R0.6  CCCNCCC BBL027756 [1,0,0,0,0,0|1,0,2]=4
8  B6R0.6  CCOCCCN BBL027700 [1,0,0,0,0,0|2,0,1]=4
9  B8R0.1  CCOC(=O)CCCCl BBL011514 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.1  CCOC(=O)CN=C=O BBL027369 [0,1,0,0,0,0|2,0,1]=4
11  B8R0.4  CCOCCCN=C=O BBL037673 [0,1,0,0,0,0|1,0,2]=4
12  B8R0.6  CCCCCC(=O)CC BBL011431 [0,1,0,0,0,0|1,0,2]=4
13  B8R0.7  CCCCCCC(C)=O BBL011429 [0,1,0,0,0,0|0,0,2]=3
14  B8R0.7  CCCNCCC(N)=O BBL024551 [0,1,0,0,0,0|1,0,1]=3
15  B8R0.7  O=C(O)CCCCCBr BBL012109 [0,1,0,0,0,0|1,0,2]=4
16  B8R1.5  CC1CCCCC1=O BBL011421 [0,0,0,1,0,0|0,0,2]=3
17  B8R1.5  O=C1CCCCC1Cl BBL011103 [0,0,0,1,0,0|1,0,2]=4
18  B8R1.11  CN1C=CC=C1C=O BBL001423 [0,0,0,1,0,0|1,0,2]=4
19  B8R1.22  O=C1CCCCCO1 BBL011394 [0,0,0,1,0,0|1,0,2]=4
20  B5R0.2  CCCCC=O BBL027632 [2,0,0,0,0,0|0,0,0]=2
21  B5R0.2  CCCCCN BBL011398 [2,0,0,0,0,0|1,0,1]=4
22  B5R0.2  CCNCCO BBL027409 [2,0,0,0,0,0|1,0,1]=4
23  B5R0.2  CCOCCBr BBL013472 [2,0,0,0,0,0|2,0,0]=4
24  B7R0.3  CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|0,0,2]=4
25  B7R0.4  CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|0,0,1]=3
26  B7R0.4  CCCCOC(=O)Cl BBL011392 [1,1,0,0,0,0|1,0,1]=4
27  B7R0.4  CCCOCC(=O)O BBL008506 [1,1,0,0,0,0|1,0,1]=4
28  B7R0.4  CCC\C=C/C(=O)O BBL029832 [1,1,0,0,0,0|0,0,2]=4
29  B7R0.4  C\C=C\C=C/C(=O)O BBL011617 [1,1,0,0,0,0|0,0,2]=4
30  B7R0.4  NCCCCC(=O)O BBL027702 [1,1,0,0,0,0|1,0,1]=4
31  B7R0.7  CCCC(=O)CCC BBL009715 [1,1,0,0,0,0|0,0,2]=4
32  B7R0.7  CCNC(=O)CCCl BBL037203 [1,1,0,0,0,0|2,0,0]=4
33  B9R0.5  CCOC(=O)CCN=C=O BBL037671 [0,2,0,0,0,0|1,0,1]=4
34  B9R0.48  CCOC(=O)CCC(C)=O BBL009708 [0,2,0,0,0,0|1,0,0]=3
35  B9R0.2  CCCCCCCC(=O)Cl BBL011405 [0,2,0,0,0,0|0,0,2]=4
36  B9R0.2  CCCCCCCC(C)=O BBL011435 [0,2,0,0,0,0|0,0,2]=4
37  B9R0.2  NC(=O)CCNCCCO BBL022949 [0,2,0,0,0,0|1,0,1]=4
38  B9R0.46  CCCCCCC(=O)NN BBL037406 [0,2,0,0,0,0|0,0,2]=4
39  B9R0.46  CCCCCCC(=O)OC BBL011469 [0,2,0,0,0,0|0,0,2]=4
40  B9R0.1  CCC(C)NCCC(N)=O BBL024550 [0,2,0,0,0,0|1,0,1]=4
41  B9R0.47  CCNCCC(N)C(=O)O BBL009900 [0,2,0,0,0,0|1,0,1]=4
42  B7R1.3  O=C1CCCCN1 BBL027557 [1,0,0,1,0,0|1,0,1]=4
43  B7R1.3  O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|1,0,0]=3
44  B9R1.27  CCN1C(=O)CSC1=S BBL028025 [0,1,0,1,0,0|2,0,0]=4
45  B9R1.33  NCCN1CCCC1=O BBL029475 [0,1,0,1,0,0|1,0,1]=4
46  B9R1.33  O=C1CCCN1CCCl BBL028309 [0,1,0,1,0,0|1,0,1]=4
47  B9R1.50  O=C1CCCCCCC1 BBL011399 [0,1,0,1,0,0|0,0,2]=4
48  B9R1.14  CCN1C=CN=C1C=O BBL030781 [0,1,0,1,0,0|1,0,1]=4
49  B9R1.21  CCC1=CC=C(C=O)S1 BBL040916 [0,1,0,1,0,0|0,0,2]=4