0  B11R0.3  C#CCOCCCCCCCBr D81456 [0,0,0,0,0,0|2,0,2]=4
1  B11R0.3  CCCCCCCCCCNC A11532 [0,0,0,0,0,0|2,0,0]=2
2  B11R0.3  CCCCCCCCSCCO A10652 [0,0,0,0,0,0|1,0,0]=1
3  B11R0.3  CNCCCCCCCCNC D93197 [0,0,0,0,0,0|3,0,0]=3
4  B10R0.71  NCCCCNCCCCN A11493 [1,0,0,0,0,0|3,0,0]=4
5  B10R0.71  OCCOCCCOCCO D84669 [1,0,0,0,0,0|3,0,0]=4
6  B12R0.5  C#CCCCCCCCCCCO W16726 [0,1,0,0,0,0|0,0,1]=2
7  B12R0.5  CCOCCCCCCCCCO C12008 [0,1,0,0,0,0|0,0,0]=1
8  B12R0.5  OCCCCCCCCCCCS C76355 [0,1,0,0,0,0|0,0,0]=1
9  B12R0.5  OCCOCCOCCOCCBr F12154 [0,1,0,0,0,0|3,0,0]=4
10  B12R0.5  OCCOCCOCCOCCS AC7208 [0,1,0,0,0,0|3,0,0]=4
11  B12R0.206  CCCCCCO[C@@H](C)CCCC A11150 [0,1,0,0,0,0|2,0,0]=3
12  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [0,1,0,0,0,0|0,0,2]=3
13  B12R1.8  OCCCCCN1CCCCC1 T72240 [0,0,0,1,0,0|1,0,0]=2
14  B12R1.8  OCCOCCN1CCOCC1 AC1380 [0,0,0,1,0,0|3,0,0]=4
15  B12R1.550  C1COCCOCCOCCN1 T70901 [0,0,0,1,0,0|3,0,0]=4
16  B9R0.45  CCCCOCCCCO S11917 [2,0,0,0,0,0|1,0,0]=3
17  B9R0.45  CCCOCCOCCO D97202 [2,0,0,0,0,0|2,0,0]=4
18  B11R0.4  CCCCCCNC(=O)CCC W15994 [1,1,0,0,0,0|1,0,1]=4
19  B11R0.148  NCCCCCCCCC(=O)O D94864 [1,1,0,0,0,0|1,0,1]=4
20  B13R0.54  C=CCCCCCCCCCC(=O)O I12075 [0,2,0,0,0,0|0,0,2]=4
21  B13R0.54  O=C(O)CCCCCCCCCCCl D86287 [0,2,0,0,0,0|0,0,1]=3
22  B13R0.165  CCCCCCC(C)CCCCCC D93446 [0,2,0,0,0,0|1,0,0]=3
23  B13R0.336  C#CCCCCCCCCCCCO D92924 [0,2,0,0,0,0|0,0,0]=2
24  B13R0.336  NCCOCCOCCCCCCCl AT11843 [0,2,0,0,0,0|2,0,0]=4
25  B11R1.4  NCCCCCN1CCCC1 C73117 [1,0,0,1,0,0|2,0,0]=4
26  B11R1.4  OCCCCO[C@@H]1CCCO1 A10551 [1,0,0,1,0,0|2,0,0]=4
27  B11R1.28  BrCCCCC1CCNCC1 56722 [1,0,0,1,0,0|2,0,0]=4
28  B11R1.28  BrCCCCN1CCCCC1 AC7493 [1,0,0,1,0,0|2,0,0]=4
29  B11R1.28  CCCCO[C@@H]1CCCCO1 D80647 [1,0,0,1,0,0|1,0,0]=3
30  B11R1.28  CCNCCN1CCCCC1 30726 [1,0,0,1,0,0|2,0,0]=4
31  B11R1.28  OCCCCC1CCCCC1 F53310 [1,0,0,1,0,0|0,0,0]=2
32  B11R1.28  OCCCCC1CCNCC1 67437 [1,0,0,1,0,0|1,0,0]=3
33  B11R1.28  OCCCCC1CCNCC1 67438 [1,0,0,1,0,0|1,0,0]=3
34  B11R1.28  OCCCCN1CCOCC1 AC1975 [1,0,0,1,0,0|2,0,0]=4
35  B11R1.28  OCCCC[C@H]1CCCCN1 31923 [1,0,0,1,0,0|1,0,0]=3
36  B13R1.28  BrCCOCCO[C@@H]1CCCCO1 D84623 [0,1,0,1,0,0|2,0,0]=4
37  B13R1.337  O=C(O)CCCCN1CCCCC1 D80932 [0,1,0,1,0,0|1,0,1]=4
38  B13R1.9  CCCCCCC1CCC(=O)CC1 W17270 [0,1,0,1,0,0|1,0,1]=4
39  B13R2.3  C1CCC(C2CCCCN2)NC1 73957 [0,0,0,2,0,0|2,0,0]=4
40  B13R2.3  C1CCC([C@@H]2CCCCN2)CC1 AR1016 [0,0,0,2,0,0|1,0,0]=3
41  B13R2.3  C1CCC([C@@H]2COCCN2)CC1 A10737 [0,0,0,2,0,0|2,0,0]=4