0  B12R1.7  CCCC#CCC1CCC(=O)O1 9440AL [1,0,0,0,0,0|0,0,2]=3
1  B12R1.37  CCCCCCNC1CCCC1 6745AD [1,0,0,0,0,0|2,0,1]=4
2  B12R1.37  CCCCCOCC1CCNC1 1815AD [1,0,0,0,0,0|3,0,0]=4
3  B12R1.37  CNCCCNCC1CCCO1 7917AC [1,0,0,0,0,0|2,0,1]=4
4  B12R0.234  CCCCCCCCCOC(=O)Cl 7370AL [0,0,1,0,0,0|2,0,0]=3
5  B12R0.234  CCCCCCCC\C=C\C(=O)O 5804AL [0,0,1,0,0,0|0,0,2]=3
6  B12R0.234  CCCCCCC\C=C\CC(C)=O W1227 [0,0,1,0,0,0|1,0,2]=4
7  B12R0.248  CCCCCCCCCC(=O)CC 6039AF [0,0,1,0,0,0|1,0,0]=2
8  B12R0.248  CCCCCCCCCC(=O)NN 6928AD [0,0,1,0,0,0|3,0,0]=4
9  B11R0.4  CCCCCCCC(O)CCC 6706AL [1,0,1,0,0,0|0,0,1]=3
10  B11R0.148  C=CCCCCCCOC(C)=O 6898AL [1,0,1,0,0,0|0,0,2]=4
11  B11R0.148  CCCCCCCCOC(=O)Cl 7369AL [1,0,1,0,0,0|1,0,0]=3
12  B11R0.148  CCCCCCC\C=C/C(=O)O Z1707 [1,0,1,0,0,0|0,0,2]=4
13  B11R0.148  CCCCCC\C=C\CC(=O)O 6032AL [1,0,1,0,0,0|0,0,2]=4
14  B11R0.148  CCCCC\C=C\CCC(=O)O 6469AL [1,0,1,0,0,0|0,0,2]=4
15  B11R0.148  O=C(O)CCCCCCCCO 4850AB [1,0,1,0,0,0|1,0,0]=3
16  B11R0.3  C#CCCCCCCCCCC 6014AF [1,0,1,0,0,0|1,0,1]=4
17  B11R0.3  C=CCOCCCCCCCC 7032AL [1,0,1,0,0,0|2,0,0]=4
18  B11R0.3  CCCCCCCCCCC#N 5901AF [1,0,1,0,0,0|1,0,1]=4
19  B11R0.3  CCCCCCCCOCCO 4872AH [1,0,1,0,0,0|1,0,1]=4
20  B11R0.3  NCCCCCCCCCCO 4707AL [1,0,1,0,0,0|1,0,1]=4
21  B11R0.40  CCCCCCCCC(=O)NN 0539AE [1,0,1,0,0,0|2,0,0]=4
22  B11R0.40  CCCCCCCCC(=O)OC 8243AL [1,0,1,0,0,0|1,0,0]=3
23  B11R0.40  CCCCCCCCC(O)CC 6165AL [1,0,1,0,0,0|0,0,2]=4
24  B11R0.40  CCCCCCCNC(=O)CBr 5387AE [1,0,1,0,0,0|2,0,0]=4
25  B13R0.1171  CCCCCC[C@H](O)[C@@H](O)CCCC 9155AL [0,1,1,0,0,0|1,0,1]=4
26  B13R0.1171  CCCCCC[C@H](O)[C@H](O)CCCC 7834AL [0,1,1,0,0,0|1,0,1]=4
27  B13R0.54  CCCCCCCCCCOC(=O)Cl 7569AL [0,1,1,0,0,0|1,0,0]=3
28  B13R0.54  CCCCCCCCC\C=C\C(=O)O 6027AF [0,1,1,0,0,0|0,0,1]=3
29  B13R0.280  CCCCCCCCCCP(=O)(O)O 0617AC [0,1,1,0,0,0|1,0,0]=3
30  B13R0.2  CCCCCCCCNC(=O)CC#N 2440AE [0,1,1,0,0,0|1,0,1]=4
31  B13R0.2  CCOC(=O)CCCCCCCCBr 7869AL [0,1,1,0,0,0|2,0,0]=4
32  B13R1.119  CCNCCCNCC1CCCO1 7918AC [1,1,0,0,0,0|1,0,1]=4
33  B13R1.1988  O=C(O)CCCN1CCCCCC1 9226AE [0,0,1,1,0,0|1,0,0]=3
34  B13R1.718  CCC(=O)OCCC1CCCCN1 1953AD [0,0,1,1,0,0|1,0,0]=3
35  B13R1.718  CCC(=O)OCCC1CCCNC1 2355AD [0,0,1,1,0,0|1,0,0]=3
36  B13R1.718  CCC(=O)OCCC1CCNCC1 6182AD [0,0,1,1,0,0|1,0,0]=3
37  B13R1.718  O=C(CCl)OCCC1CCCCN1 1438AD [0,0,1,1,0,0|2,0,0]=4
38  B13R1.718  O=C(CCl)OCCC1CCCNC1 1921AD [0,0,1,1,0,0|2,0,0]=4
39  B13R1.718  O=C(CCl)OCCC1CCNCC1 2118AD [0,0,1,1,0,0|2,0,0]=4
40  B13R2.13132  O=C1CC2(CCCCCC2)CN1 3875AD [1,0,0,1,0,0|2,0,0]=4
41  B13R2.64  C1CCC(CC2CCCN2)CC1 V6871 [1,0,0,1,0,0|1,0,1]=4
42  B11R0.42  CCCCCCCC(N)C(=O)O 7857AB [0,0,1,0,1,0|2,0,0]=4