0  B12R2.766  CC1=CC(=O)C2CC1C2(C)C Molport-000-706-765 [0,1,0,0,0,0|0,0,1]=2
1  B12R2.2863  C=C1C(CC2CC1C2(C)C)O Molport-006-117-020 [0,1,0,0,0,0|0,0,2]=3
2  B12R2.5294  CC1(CCC2CC1C2(C)C)O Molport-003-855-454 [0,1,0,0,0,0|0,0,2]=3
3  B10R1.13  C=C1C=CC(CC1)C(C)C Molport-006-111-816 [0,0,1,0,0,0|0,0,2]=3
4  B10R1.13  CC1=CCC(C=C1)C(C)C Molport-003-960-040 [0,0,1,0,0,0|0,0,2]=3
5  B10R1.13  CC1=CCC(CC1)C(=O)O Molport-022-366-438 [0,0,1,0,0,0|2,0,1]=4
6  B10R1.61  CC(C)C1NCCNC1=O Molport-002-499-398 [0,0,1,0,0,0|3,0,0]=4
7  B9R1.1  CC1=CCC(CC1)C=O Molport-002-560-310 [1,0,1,0,0,0|1,0,1]=4
8  B9R1.1  CC1=CCC(CC1)CO Molport-004-831-283 [1,0,1,0,0,0|1,0,0]=3
9  B9R1.1  CCC1CCC(NC1)C Molport-001-768-167 [1,0,1,0,0,0|1,0,1]=4
10  B9R1.6  CC(C)C1CCCCN1 Molport-000-148-780 [1,0,1,0,0,0|1,0,1]=4
11  B9R1.6  CC(C)C1CCCNC1 Molport-016-631-046 [1,0,1,0,0,0|1,0,1]=4
12  B9R1.6  CC(C)C1CCCNC1 Molport-044-219-203 [1,0,1,0,0,0|1,0,1]=4
13  B9R1.6  CC(C)C1CCNCC1 Molport-020-079-017 [1,0,1,0,0,0|1,0,1]=4
14  B11R1.22  COC(=O)C1CC=C(CC1)C Molport-006-712-929 [0,1,1,0,0,0|1,0,1]=4
15  B11R1.166  CC(C)[C@H]1CC[C@H](C[C@@H]1O)C Molport-001-793-331 [0,1,1,0,0,0|0,0,2]=4
16  B11R1.166  CC1CCC(C(C1)N)C(C)C Molport-002-893-263 [0,1,1,0,0,0|0,0,2]=4
17  B11R1.222  CCC(C)C1CCCCC1=O Molport-003-914-310 [0,1,1,0,0,0|1,0,1]=4
18  B11R1.424  CC1=C(C(CCC1)(C)C)CO Molport-003-846-086 [0,1,1,0,0,0|0,0,2]=4
19  B11R1.680  CC1C(=O)CC[N+](C1C)(C)C Molport-035-916-524 [0,1,1,0,0,0|1,0,1]=4
20  B13R2.7100  CC1CC(=O)NC2CC1C2(C)C Molport-046-067-651 [0,1,0,0,0,1|1,0,1]=4
21  B13R2.4143  CC1(C2CC=C(C1C2)CCO)C Molport-003-930-540 [0,2,0,0,0,0|0,0,0]=2
22  B13R2.4143  CC1(C2C[C@@H]1CC=C2CCO)C Molport-004-946-687 [0,2,0,0,0,0|0,0,0]=2
23  B13R2.6334  C=C1/C(=N/O)/CC2CC1C2(C)C Molport-002-136-234 [0,2,0,0,0,0|0,0,1]=3
24  B13R2.12966  CC1(C(=O)CC2CC1C2(C)C)O Molport-002-551-038 [0,2,0,0,0,0|0,0,1]=3
25  B13R2.12966  CC1([C@H]2CC(=O)[C@]([C@@H]1C2)(C)O)C Molport-009-198-943 [0,2,0,0,0,0|0,0,1]=3
26  B13R2.12966  CC1([C@H]2C[C@@H]([C@]([C@@H]1C2)(C)O)O)C Molport-005-943-175 [0,2,0,0,0,0|0,0,2]=4
27  B9R0.11  CC(=O)NC(C)(C)C(C)C Molport-047-739-870 [0,0,2,0,0,0|2,0,0]=4
28  B13R3.20538  CC12OC1C[C@@H]3C[C@H]2C3(C)C Molport-002-507-162 [0,0,0,1,0,1|0,0,2]=4
29  B13R3.8865  CC1([C@@H]2C[C@H]1CCC23CO3)C Molport-005-909-363 [0,1,0,1,0,0|0,0,2]=4
30  B9R1.35  CC(C)C1CNC(=O)C1 Molport-016-636-049 [0,0,1,0,1,0|2,0,0]=4
31  B11R1.20  CC(C)OC1CCC(=O)CC1 Molport-023-279-131 [0,0,1,0,0,1|1,0,1]=4