0  B5R0.1  CCC=C(C)C Molport-003-938-589 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.4  CC(=CCC#N)C Molport-001-762-121 [0,1,0,0,0,0|1,0,0]=2
2  B6R0.4  CC(=CCCN)C Molport-012-948-505 [0,1,0,0,0,0|1,0,0]=2
3  B6R0.4  CC(=CCCO)C Molport-003-929-857 [0,1,0,0,0,0|0,1,0]=2
4  B6R0.4  CCCC=C(C)C Molport-003-910-491 [0,1,0,0,0,0|1,0,0]=2
5  B6R1.2  C=C1CCCC1 Molport-003-928-588 [0,0,0,1,0,0|1,0,2]=4
6  B6R1.2  C=C1CCNC1 Molport-004-969-103 [0,0,0,1,0,0|1,0,2]=4
7  B6R1.2  CC1CCCN1 Molport-001-767-569 [0,0,0,1,0,0|2,0,1]=4
8  B6R1.2  CC1CCCN1 Molport-003-985-815 [0,0,0,1,0,0|2,0,1]=4
9  B6R1.2  CC1CCNC1 Molport-000-004-938 [0,0,0,1,0,0|1,0,2]=4
10  B6R1.2  CC1CCNC1 Molport-002-344-429 [0,0,0,1,0,0|1,0,2]=4
11  B6R1.2  CC1CCOC1 Molport-003-003-662 [0,0,0,1,0,0|0,1,2]=4
12  B6R1.2  CC1COCO1 Molport-003-933-210 [0,0,0,1,0,0|1,1,1]=4
13  B6R1.2  C[C@@H]1CCCN1 Molport-001-768-756 [0,0,0,1,0,0|2,0,1]=4
14  B6R1.2  C[C@@H]1CCCN1 Molport-002-499-366 [0,0,0,1,0,0|2,0,1]=4
15  B6R1.2  C[C@@H]1CCNC1 Molport-002-499-367 [0,0,0,1,0,0|1,0,2]=4
16  B6R1.2  C[C@@H]1CCNC1 Molport-028-720-611 [0,0,0,1,0,0|1,0,2]=4
17  B6R1.2  C[C@H]1CCCN1 Molport-001-768-757 [0,0,0,1,0,0|2,0,1]=4
18  B6R1.2  C[C@H]1CCCN1 Molport-002-501-417 [0,0,0,1,0,0|2,0,1]=4
19  B6R1.2  C[C@H]1CCNC1 Molport-002-501-573 [0,0,0,1,0,0|1,0,2]=4
20  B6R1.2  C[C@H]1CCNC1 Molport-028-720-612 [0,0,0,1,0,0|1,0,2]=4
21  B6R1.2  C[C@H]1CCNC1 Molport-046-158-553 [0,0,0,1,0,0|1,0,2]=4
22  B6R1.2  O=C1CCCC1 Molport-000-871-991 [0,0,0,1,0,0|2,0,1]=4
23  B6R1.2  O=C1CCNC1 Molport-000-006-145 [0,0,0,1,0,0|2,0,1]=4
24  B6R1.2  O=C1CCNC1 Molport-009-197-349 [0,0,0,1,0,0|2,0,1]=4
25  B6R1.5  CN1CC(C1)O Molport-011-121-976 [0,0,0,1,0,0|1,1,1]=4
26  B6R1.5  CN1CC(C1)O Molport-020-393-071 [0,0,0,1,0,0|1,1,1]=4
27  B6R1.9  CC1OC1(C)C Molport-003-935-924 [0,0,0,1,0,0|2,0,1]=4
28  B6R1.11  CC(=C)C1CO1 Molport-028-746-896 [0,0,0,1,0,0|0,1,2]=4
29  B6R1.11  CC(=O)C1CO1 Molport-001-756-793 [0,0,0,1,0,0|1,1,1]=4
30  B6R1.11  CC(C)C1CO1 Molport-006-113-301 [0,0,0,1,0,0|0,1,2]=4
31  B6R1.11  CC(C)[C@@H]1CO1 Molport-046-290-437 [0,0,0,1,0,0|0,1,2]=4
32  B7R0.4  CC(=CCCCN)C Molport-022-364-717 [0,2,0,0,0,0|1,0,0]=3
33  B7R0.4  CC(=CCCCO)C Molport-046-790-896 [0,2,0,0,0,0|0,1,0]=3
34  B7R0.4  CCCCC=C(C)C Molport-003-926-052 [0,2,0,0,0,0|1,0,0]=3
35  B7R0.6  CC(=CCC(=O)O)C Molport-003-662-505 [0,2,0,0,0,0|0,1,0]=3
36  B7R0.6  CC(C)CC=C(C)C Molport-028-747-066 [0,2,0,0,0,0|1,0,0]=3
37  B5R1.5  CC1(CO1)C Molport-000-156-531 [1,0,0,1,0,0|0,1,1]=4
38  B7R1.2  CC1=CC(=O)CC1 Molport-001-793-640 [0,1,0,1,0,0|0,1,1]=4
39  B7R1.4  CC1=CCCC1=O Molport-003-661-909 [0,1,0,1,0,0|1,0,1]=4
40  B7R1.4  CC1CCCC1=O Molport-001-793-641 [0,1,0,1,0,0|1,0,1]=4
41  B7R1.4  CC1CNCC1=O Molport-037-963-556 [0,1,0,1,0,0|1,0,1]=4
42  B7R1.4  CC1COCC1=O Molport-021-996-111 [0,1,0,1,0,0|0,1,1]=4