0  B5R0.1  CCCN(C)C Molport-006-112-640 [0,1,0,0,0,0|3,0,0]=4
1  B5R0.1  CN(C)CC=C Molport-003-925-486 [0,1,0,0,0,0|3,0,0]=4
2  B5R0.3  CCN(C)CC Molport-003-930-047 [0,1,0,0,0,0|2,0,1]=4
3  B5R1.1  C1CCCC1 Molport-001-789-854 [0,0,0,1,0,0|2,0,1]=4
4  B5R1.1  C1CCOC1 Molport-000-871-942 [0,0,0,1,0,0|1,0,1]=3
5  B5R1.1  C1CCOC1 Molport-046-687-398 [0,0,0,1,0,0|1,0,1]=3
6  B5R1.1  C1COCO1 Molport-003-846-952 [0,0,0,1,0,0|0,0,2]=3
7  B4R0.1  CCN(C)C Molport-003-925-293 [1,1,0,0,0,0|1,0,1]=4
8  B4R0.1  CCN(C)C Molport-051-972-827 [1,1,0,0,0,0|1,0,1]=4
9  B6R0.2  CN(C)CC(=O)C Molport-001-793-984 [0,2,0,0,0,0|2,0,0]=4
10  B6R0.2  CN(C)CC(=O)N Molport-008-643-552 [0,2,0,0,0,0|2,0,0]=4
11  B6R0.2  CN(C)CC(=O)O Molport-001-792-053 [0,2,0,0,0,0|2,0,0]=4
12  B6R0.2  CN(C)CC(=O)O Molport-003-355-838 [0,2,0,0,0,0|2,0,0]=4
13  B6R0.2  CN(C)CC(=O)[O-] Molport-006-122-573 [0,2,0,0,0,0|2,0,0]=4
14  B4R1.2  CC1CO1 Molport-003-925-881 [1,0,0,1,0,0|0,0,1]=3
15  B4R1.2  CC1CO1 Molport-047-918-360 [1,0,0,1,0,0|0,0,1]=3
16  B4R1.2  C[C@@H]1CO1 Molport-003-936-224 [1,0,0,1,0,0|0,0,1]=3
17  B4R1.2  C[C@H]1CO1 Molport-003-936-223 [1,0,0,1,0,0|0,0,1]=3
18  B6R1.2  CC1CCCO1 Molport-001-786-550 [0,1,0,1,0,0|1,0,1]=4
19  B6R1.2  CC1OCCO1 Molport-001-789-885 [0,1,0,1,0,0|0,0,2]=4
20  B6R1.2  CN1CCOC1 Molport-020-916-488 [0,1,0,1,0,0|1,0,1]=4
21  B6R1.2  N=C1CCCN1 Molport-005-310-923 [0,1,0,1,0,0|2,0,0]=4
22  B6R1.2  NC1CCOC1 Molport-001-794-861 [0,1,0,1,0,0|1,0,1]=4
23  B6R1.2  NC1CCOC1 Molport-009-197-833 [0,1,0,1,0,0|1,0,1]=4
24  B6R1.2  N[C@@H]1CCOC1 Molport-006-666-345 [0,1,0,1,0,0|1,0,1]=4
25  B6R1.2  N[C@@H]1CCOC1 Molport-009-680-802 [0,1,0,1,0,0|1,0,1]=4
26  B6R1.2  N[C@H]1CCOC1 Molport-001-768-755 [0,1,0,1,0,0|1,0,1]=4
27  B6R1.2  N[C@H]1CCOC1 Molport-005-937-196 [0,1,0,1,0,0|1,0,1]=4
28  B6R1.2  O=C1CCCN1 Molport-003-928-391 [0,1,0,1,0,0|1,0,0]=3
29  B6R1.2  O=C1CCOC1 Molport-006-708-377 [0,1,0,1,0,0|0,0,0]=2
30  B6R1.2  O=C1OCCO1 Molport-003-925-305 [0,1,0,1,0,0|0,0,0]=2
31  B6R1.2  S=C1CCCN1 Molport-001-762-079 [0,1,0,1,0,0|1,1,0]=4
32  B6R1.5  CN1CC(=O)C1 Molport-019-878-973 [0,1,0,1,0,0|2,0,0]=4
33  B6R1.5  CN1CC(=O)C1 Molport-044-182-885 [0,1,0,1,0,0|2,0,0]=4
34  B6R1.11  NC(=O)C1CO1 Molport-003-847-615 [0,1,0,1,0,0|2,0,0]=4
35  B6R1.1  C1COC=CO1 Molport-009-681-042 [0,1,0,1,0,0|0,0,1]=3
36  B6R1.1  C1COCCO1 Molport-001-785-778 [0,1,0,1,0,0|0,0,2]=4
37  B6R1.1  C1COCCO1 Molport-001-786-851 [0,1,0,1,0,0|0,0,2]=4
38  B6R1.1  C1COCCO1 Molport-027-838-000 [0,1,0,1,0,0|0,0,2]=4
39  B6R1.1  C1COCOC1 Molport-003-929-185 [0,1,0,1,0,0|0,0,2]=4