0  B15R3.228782  BrC(Br)C12CC3CC(C1)CC(C3)C2 S19357 [0,0,0,0,0,0|2,0,0]=2
1  B15R3.228782  C12CC3CC(C1)CC(C2)(C3)C(=N)N CDS002865 [0,0,0,0,0,0|1,0,1]=2
2  B15R3.228782  C12CC3CC(C1)CC(C2)(C3)C(=S)N BOG00124 [0,0,0,0,0,0|1,0,1]=2
3  B15R3.228782  ClC(Cl)C12CC3CC(C1)CC(C3)C2 T235261 [0,0,0,0,0,0|2,0,0]=2
4  B15R3.228782  O=C(O)C12CC3CC(C1)CC(C3)C2 R702269 [0,0,0,0,0,0|2,0,1]=3
5  B14R3.47333  C12CC3CC(C1)CC(C2)(C3)CN TMT00043 [1,0,0,0,0,0|0,0,0]=1
6  B16R3.534761  C12CC3CC(C1)(CC(C2)C3=O)C(=O)N PH016298 [0,1,0,0,0,0|1,0,2]=4
7  B16R3.682473  C/C(=N\O)/C12CC3CC(C1)CC(C3)C2 S976512 [0,1,0,0,0,0|0,0,2]=3
8  B16R3.682473  C12CC3CC(C1)CC(C2)(C3)/C(=N\O)/N BOG00088 [0,1,0,0,0,0|1,0,1]=3
9  B16R3.682473  C12CC3CC(C1)CC(C2)(C3)C(=O)NC TMT00052 [0,1,0,0,0,0|1,0,1]=3
10  B16R3.682473  O=C(NO)C12CC3CC(C1)CC(C3)C2 S948039 [0,1,0,0,0,0|1,0,1]=3
11  B16R3.872633  CC(C)(O)C12CC3CC(C1)CC(C3)C2 S19411 [0,1,0,0,0,0|1,0,0]=2
12  B16R3.1170563  NC(=O)C12CC3CC(C1)CC(C3)(C2)Br S976385 [0,1,0,0,0,0|1,0,1]=3
13  B16R3.1170563  NC12CC3CC(C1)CC(C3)(C2)C(=O)O PH008822 [0,1,0,0,0,0|2,0,1]=4
14  B16R3.1170563  O=C(O)C12CC3CC(C1)CC(C3)(C2)F T308323 [0,1,0,0,0,0|2,0,1]=4
15  B16R4.448923  NC(=O)C12CC3CC(C1)C4C3C4C2 S208655 [0,0,0,1,0,0|1,0,1]=3
16  B16R3.651134  CC(=O)NC12CC3CC(C1)CC(C3)C2 PH007457 [0,0,0,0,0,1|1,0,1]=3
17  B16R3.651134  NC(=O)CC12CC3CC(C1)CC(C3)C2 S976504 [0,0,0,0,0,1|1,0,1]=3
18  B13R3.10150  BrC12CC3CC(C1)CC(C3)C2 PH001146 [2,0,0,0,0,0|1,0,0]=3
19  B15R3.162082  CCNC12CC3CC(C1)CC(C3)C2 PH013012 [1,1,0,0,0,0|0,0,0]=2
20  B15R3.162082  O=CNC12CC3CC(C1)CC(C3)C2 L496472 [1,1,0,0,0,0|1,0,1]=4
21  B15R3.273369  CC12CC3CC(C1)CC(C3)(C2)CO S988456 [1,1,0,0,0,0|1,0,0]=3
22  B15R3.273369  [C@H]12C[C@@]3(C[C@H](C1)C[C@](C2)(C3)CBr)Br S76628 [1,1,0,0,0,0|1,0,0]=3
23  B17R3.970977  CC(=O)NC12CC3CC(C1)C(C(C3)C2)O PH009134 [0,1,0,0,0,1|1,0,1]=4
24  B17R3.1490595  CCC(=O)NC12CC3CC(C1)CC(C3)C2 R343455 [0,1,0,0,0,1|1,0,1]=4
25  B17R3.1490595  NNC(=O)CC12CC3CC(C1)CC(C3)C2 S10791 [0,1,0,0,0,1|1,0,1]=4
26  B17R3.1490595  O=C(CCl)OC12CC3CC(C1)CC(C3)C2 S976520 [0,1,0,0,0,1|1,0,1]=4
27  B17R3.3241202  O=C(C(Br)Br)C12CC3CC(C1)CC(C3)C2 S139327 [0,1,0,0,0,1|2,0,0]=4
28  B17R3.3241202  O=C(C(Br)Br)C12CC3CC(C1)CC(C3)C2 S19365 [0,1,0,0,0,1|2,0,0]=4
29  B17R3.3241202  O=C(C(Br)Br)C12CC3CC(C1)CC(C3)C2 S247693 [0,1,0,0,0,1|2,0,0]=4
30  B17R3.3269562  CS(=O)(=O)OC12CC3CC(C1)CC(C3)C2 S19373 [0,1,0,0,0,1|2,0,0]=4
31  B17R3.1270048  CC/C(=N\O)/C12CC3CC(C1)CC(C3)C2 S139289 [0,2,0,0,0,0|0,0,2]=4
32  B17R3.1270048  OCC(CO)C12CC3CC(C1)CC(C3)C2 S247529 [0,2,0,0,0,0|1,0,0]=3
33  B17R3.1399764  C12CC3CC(C1)CC(C2)(C3)C(=O)CC#N TMT00058 [0,2,0,0,0,0|1,0,1]=4
34  B17R4.799611  O=C1NC2C3CC4CC(C3)CC2(C4)O1 S126012 [0,0,0,1,0,1|1,0,1]=4