0  B7R0.1  C=CCCCCNC R10008 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.1  CCCNCCCO AB4057 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.1  COCOCCC=O 32199 [0,0,0,0,0,0|3,1,0]=4
3  B6R0.6  C=CCNCCO W12833 [1,0,0,0,0,0|2,0,0]=3
4  B8R0.4  C=CCCCCCC=O N11873 [0,1,0,0,0,0|2,0,1]=4
5  B8R0.4  C=CCCCCCCI W11175 [0,1,0,0,0,0|2,0,0]=3
6  B8R1.2  O=C[C@@H]1CCCCN1 62054 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.2  O=C[C@@H]1CCCCO1 79885 [0,0,0,1,0,0|2,1,0]=4
8  B8R1.2  O=C[C@H]1CCCOC1 79874 [0,0,0,1,0,0|2,1,0]=4
9  B8R1.5  C=C1CCCC[C@@H]1O D94315 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.5  C[C@H]1CCCCC1=O D77719 [0,0,0,1,0,0|3,0,0]=4
11  B8R1.5  C[C@H]1COCCC1=O 27832 [0,0,0,1,0,0|2,1,0]=4
12  B8R1.5  C[C@H]1CSCCC1=O 70869 [0,0,0,1,0,0|2,0,0]=3
13  B8R1.5  O[C@H]1CSSC[C@@H]1O D82089 [0,0,0,1,0,0|2,0,1]=4
14  B8R1.8  C=CC[C@H]1CCCN1 N16954 [0,0,0,1,0,0|2,0,0]=3
15  B8R1.8  CCCC1=NNC=C1 C16284 [0,0,0,1,0,0|3,0,0]=4
16  B8R1.8  O=CCC1CCCC1 F11683 [0,0,0,1,0,0|3,0,0]=4
17  B8R1.22  O=C1CCCCNC1 50109 [0,0,0,1,0,0|3,0,0]=4
18  B8R1.22  O=C1CCCOCC1 P12770 [0,0,0,1,0,0|2,1,0]=4
19  B8R1.49  C1=CCCC=CCC1 A11943 [0,0,0,1,0,0|2,0,1]=4
20  B8R1.49  C1=CCCC=CCC1 C10709 [0,0,0,1,0,0|2,0,1]=4
21  B8R1.49  C1=CCCC=CCC1 D94664 [0,0,0,1,0,0|2,0,1]=4
22  B8R1.49  C1=CCCC=CCC1 F16608 [0,0,0,1,0,0|2,0,1]=4
23  B8R1.49  C1=CCCC=CCC1 F16639 [0,0,0,1,0,0|2,0,1]=4
24  B8R1.49  C1=CCCC=CCC1 H10532 [0,0,0,1,0,0|2,0,1]=4
25  B8R1.49  C1=CCCC=CCC1 O11699 [0,0,0,1,0,0|2,0,1]=4
26  B8R1.49  C1=CCCC=CCC1 S12179 [0,0,0,1,0,0|2,0,1]=4
27  B8R1.49  C1=CCCC=CCC1 T72889 [0,0,0,1,0,0|2,0,1]=4
28  B5R0.2  C#CCCC=C T71785 [2,0,0,0,0,0|0,0,2]=4
29  B5R0.2  C=CCCNC W16107 [2,0,0,0,0,0|1,0,0]=3
30  B5R0.2  CCCCON 31644 [2,0,0,0,0,0|2,0,0]=4
31  B5R0.2  O=CCCCO 55817 [2,0,0,0,0,0|2,0,0]=4
32  B7R0.3  C=CC(=O)NCCC AB9941 [1,1,0,0,0,0|1,0,1]=4
33  B7R0.4  C=CCNCC(F)F W17677 [1,1,0,0,0,0|2,0,0]=4
34  B7R0.4  CCCOCC(=O)O AC1647 [1,1,0,0,0,0|1,1,0]=4
35  B7R1.1  C=CC1CCCC1 T72385 [1,0,0,1,0,0|1,0,0]=3
36  B7R1.3  C=C1CCNCC1 88914 [1,0,0,1,0,0|2,0,0]=4
37  B7R1.3  C=C1CCOCC1 84295 [1,0,0,1,0,0|1,1,0]=4
38  B7R1.3  N[C@@H]1C=CCCC1 D84435 [1,0,0,1,0,0|2,0,0]=4
39  B7R1.3  O=C1CCCCS1 D95162 [1,0,0,1,0,0|2,0,0]=4
40  B7R1.3  O=C1CSCCN1 23643 [1,0,0,1,0,0|2,0,0]=4
41  B7R1.3  O[C@@H]1C=CCNC1 S11183 [1,0,0,1,0,0|2,0,0]=4
42  B7R1.6  C=CCC1CNC1 P14594 [1,0,0,1,0,0|2,0,0]=4
43  B7R1.6  O=CCC1CCC1 55432 [1,0,0,1,0,0|2,0,0]=4
44  B7R1.7  C=CCC[C@H]1CO1 61994 [1,0,0,1,0,0|2,0,0]=4
45  B9R1.50  O[C@@H]1C=CCCCCC1 AT23384 [0,1,0,1,0,0|2,0,0]=4
46  B9R1.50  O[C@@H]1CCC=CCCC1 C76726 [0,1,0,1,0,0|2,0,0]=4
47  B9R1.6  O=C(O)[C@H]1CCCSC1 37673 [0,1,0,1,0,0|2,0,0]=4