0  B15R3.441491  CC12CC3CC(C)(C1)CC(N)(C3)C2 SBB002574 [0,0,0,0,0,0|0,0,0]=0
1  B15R3.441491  CC12CC3CC(C)(C1)CC(N)(C3)C2 SBB003390 [0,0,0,0,0,0|0,0,0]=0
2  B14R3.63177  CC12CC3CC(C1)CC(C)(C3)C2 SBB061551 [1,0,0,0,0,0|0,0,0]=1
3  B14R3.63177  NC12CC3CC(C1)CC(O)(C3)C2 SBB014897 [1,0,0,0,0,0|1,0,0]=2
4  B14R3.63177  [C@H]12C[C@]3(O)C[C@H](C1)C[C@](N)(C2)C3 SBB052062 [1,0,0,0,0,0|1,0,0]=2
5  B16R3.1641211  CC12CC3CC(C)(C1)CC(CN)(C3)C2 SBB002137 [0,1,0,0,0,0|0,0,0]=1
6  B16R3.1641211  CC12CC3CC(C)(C1)CC(CO)(C3)C2 SBB071403 [0,1,0,0,0,0|1,0,0]=2
7  B16R3.1721476  CC12CC3(C)CC(N)(C1)CC(O)(C2)C3 SBB010940 [0,1,0,0,0,0|0,0,0]=1
8  B13R3.10150  BrC12CC3CC(CC(C3)C1)C2 SBB057394 [2,0,0,0,0,0|1,0,0]=3
9  B13R3.10150  CC12CC3CC(CC(C3)C1)C2 SBB081817 [2,0,0,0,0,0|0,0,0]=2
10  B13R3.10150  FC12CC3CC(CC(C3)C1)C2 SBB087032 [2,0,0,0,0,0|1,0,0]=3
11  B13R3.10150  NC12CC3CC(CC(C3)C1)C2 SBB003680 [2,0,0,0,0,0|0,0,0]=2
12  B13R3.10150  NC12CC3CC(CC(C3)C1)C2 SBB071506 [2,0,0,0,0,0|0,0,0]=2
13  B13R3.10150  OC12CC3CC(CC(C3)C1)C2 SBB057505 [2,0,0,0,0,0|1,0,0]=3
14  B13R3.10150  [NH3+]C12CC3CC(CC(C3)C1)C2 SBB061557 [2,0,0,0,0,0|0,0,1]=3
15  B15R3.273369  BrCC12CC3CC(CC(Br)(C3)C1)C2 SBB042561 [1,1,0,0,0,0|1,0,0]=3
16  B17R3.5878818  CC12CC3CC(C)(C1)CC(C(=O)O)(C3)C2 SBB021965 [0,2,0,0,0,0|1,0,0]=3
17  B13R1.2837  CC1(C)CC(CCO)CC(C)(C)N1 SBB017096 [0,0,2,0,0,0|2,0,0]=4