0  B13R2.2560  CNC1(C2CCC(C2)C1(C)C)C Molport-003-666-220 [0,0,0,0,0,0|0,0,0]=0
1  B13R2.2560  CNC1([C@H]2CC[C@H](C2)C1(C)C)C Molport-023-220-545 [0,0,0,0,0,0|0,0,0]=0
2  B13R2.2560  CN[C@@]1([C@H]2CC[C@H](C2)C1(C)C)C Molport-028-751-169 [0,0,0,0,0,0|0,0,0]=0
3  B13R2.2560  CN[C@@]1([C@H]2CC[C@H](C2)C1(C)C)C Molport-049-226-919 [0,0,0,0,0,0|0,0,0]=0
4  B13R2.2560  CN[C@]1([C@@H]2CC[C@@H](C2)C1(C)C)C Molport-046-690-352 [0,0,0,0,0,0|0,0,0]=0
5  B12R2.2264  CC1(C(C2CCC1C2)CN)C Molport-004-784-505 [1,0,0,0,0,0|2,0,0]=3
6  B12R2.2264  CC1(C(C2CCC1C2)CN)C Molport-047-782-795 [1,0,0,0,0,0|2,0,0]=3
7  B14R2.9547  CC1(C2CCC(C2)C1(C)C(=O)O)C Molport-046-010-796 [0,1,0,0,0,0|2,0,0]=3
8  B14R2.13968  CC1(C2CCC(C2)(C1(O)C#N)C)C Molport-002-800-273 [0,1,0,0,0,0|3,0,0]=4
9  B14R2.13968  CCC1(C(C2CCC1(C2)C)(C)C)O Molport-003-960-125 [0,1,0,0,0,0|2,0,0]=3
10  B14R2.13968  CCC1(C([C@@H]2CC[C@]1(C2)C)(C)C)O Molport-051-990-048 [0,1,0,0,0,0|2,0,0]=3
11  B11R1.175  CC(C)C1CCC(N1)C(C)C Molport-044-655-592 [1,0,1,0,0,0|1,0,0]=3
12  B11R1.1191  C[C@H]1CC[C@@](C1(C)C)(C)CN Molport-042-623-198 [1,0,1,0,0,0|2,0,0]=4
13  B11R1.1191  C[C@H]1CC[C@@](C1(C)C)(C)CO Molport-035-930-595 [1,0,1,0,0,0|2,0,0]=4
14  B11R2.204  CC1(C2CCC(C2)C1=C)C Molport-001-785-795 [2,0,0,0,0,0|0,0,2]=4
15  B11R2.204  CC1(C2CCC(C2)C1=O)C Molport-006-120-170 [2,0,0,0,0,0|1,0,1]=4
16  B11R2.204  CC1(C2CCC(C2)C1N)C Molport-044-856-266 [2,0,0,0,0,0|0,0,0]=2
17  B11R2.204  CC1([C@@H]2CC[C@@H](C2)C1=C)C Molport-029-945-621 [2,0,0,0,0,0|0,0,2]=4
18  B11R2.228  CC1(CC2CCC1C2)CN Molport-011-018-717 [2,0,0,0,0,0|2,0,0]=4
19  B11R2.228  C[C@]1(C[C@@H]2CC[C@H]1C2)CO Molport-051-772-944 [2,0,0,0,0,0|2,0,0]=4
20  B13R1.11692  CNC1(C(CCC1(C)O)C(C)C)C Molport-046-848-660 [0,1,1,0,0,0|1,0,0]=3
21  B13R2.284  CNCC1C2CCC(C2)C1(C)C Molport-047-652-078 [1,1,0,0,0,0|0,0,0]=2
22  B13R2.13651  CC1(C2CCC(C2)C1C(=O)O)C Molport-006-111-381 [1,1,0,0,0,0|2,0,0]=4
23  B13R2.21280  CC1([C@@H]2CC[C@@](C2)([C@@]1(C)O)C)C Molport-047-942-992 [1,1,0,0,0,0|1,0,0]=3
24  B13R3.2732  C[C@]12CNC[C@H]1[C@H]3CC[C@@H]2C3 Molport-044-729-629 [1,0,0,1,0,0|2,0,0]=4
25  B13R3.2732  N[C@@]12CCCC1C3CCC2C3 Molport-009-757-466 [1,0,0,1,0,0|2,0,0]=4