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|2,0,1]=3
2  B11R0.3  CCCCCCCCSCCO A10652 [0,0,0,0,0,0|1,0,2]=3
3  B11R0.3  CNCCCCCCCCNC D93197 [0,0,0,0,0,0|3,0,1]=4
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|0,0,2]=3
7  B12R0.5  CCOCCCCCCCCCO C12008 [0,1,0,0,0,0|0,0,2]=3
8  B12R0.5  OCCCCCCCCCCCS C76355 [0,1,0,0,0,0|0,0,2]=3
9  B12R0.234  C=CCCCCCCCCC(=O)[O-] C75615 [0,1,0,0,0,0|0,0,2]=3
10  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [0,1,0,0,0,0|2,0,0]=3
11  B12R1.8  OCCCCCN1CCCCC1 T72240 [0,0,0,1,0,0|1,0,2]=4
12  B12R1.37  SCCCCCCC1=CCC=C1 TD8104 [0,0,0,1,0,0|0,1,2]=4
13  B9R0.45  CCCCOCCCCO S11917 [2,0,0,0,0,0|1,0,0]=3
14  B9R0.45  CCCOCCOCCO D97202 [2,0,0,0,0,0|2,0,0]=4
15  B11R0.148  NCCCCCCCCC(=O)O D94864 [1,1,0,0,0,0|1,0,1]=4
16  B13R0.54  C=CCCCCCCCCCC(=O)O I12075 [0,2,0,0,0,0|0,0,0]=2
17  B13R0.54  O=C(O)CCCCCCCCCCCl D86287 [0,2,0,0,0,0|1,0,1]=4
18  B13R0.147  COC(=O)CCCCCCCCC=O F19637 [0,2,0,0,0,0|1,0,1]=4
19  B13R0.336  C#CCCCCCCCCCCCO D92924 [0,2,0,0,0,0|0,0,2]=4
20  B13R0.336  C=CCOCCOCCOCCOC A12227 [0,2,0,0,0,0|2,0,0]=4
21  B11R1.4  OCCCCO[C@@H]1CCCO1 A10551 [1,0,0,1,0,0|2,0,0]=4
22  B11R1.28  CCCCO[C@@H]1CCCCO1 D80647 [1,0,0,1,0,0|1,0,1]=4
23  B11R1.28  OCCCCC1CCCCC1 F53310 [1,0,0,1,0,0|0,0,1]=3
24  B11R1.28  OCCCCC1CCNCC1 67437 [1,0,0,1,0,0|1,0,1]=4
25  B11R1.28  OCCCCC1CCNCC1 67438 [1,0,0,1,0,0|1,0,1]=4
26  B11R1.28  OCCCC[C@H]1CCCCN1 31923 [1,0,0,1,0,0|1,0,0]=3
27  B13R2.571  C=C[C@H]1CN2CC[C@@H]1C[C@@H]2CO T72059 [0,0,0,2,0,0|1,0,0]=3
28  B13R2.571  C=C[C@H]1CN2CC[C@H]1C[C@@H]2CO T72060 [0,0,0,2,0,0|1,0,0]=3