0  B8R0.5  CC(C)C[C@@H](N)CCO AT14312 [1,0,0,0,0,0|2,0,0]=3
1  B8R0.28  CC(C)\C=C\CC(C)C T70700 [1,0,0,0,0,0|0,0,2]=3
2  B10R1.54  CC(C)C[C@H]1CCC(=O)C1 33492 [0,0,0,1,0,0|2,0,1]=4
3  B10R1.272  CC1(C)CC(N)CC1(C)C AC5667 [0,0,0,1,0,0|1,0,0]=2
4  B7R0.2  CC(C)C[C@H](N)CF AC4927 [2,0,0,0,0,0|2,0,0]=4
5  B7R0.7  CCC[C@H](O)COC D77523 [2,0,0,0,0,0|1,0,0]=3
6  B9R1.22  CO[C@H]1C[C@@H](N)C[C@H]1O AT24179 [1,0,0,1,0,0|2,0,0]=4
7  B9R1.22  N[C@H]1C[C@H](O)[C@H](CO)C1 D72286 [1,0,0,1,0,0|2,0,0]=4
8  B9R1.22  N[C@H]1C[C@H](O)[C@H](CO)C1 D72566 [1,0,0,1,0,0|2,0,0]=4
9  B9R1.32  COC1C(N)CC1(C)C AT11413 [1,0,0,1,0,0|2,0,0]=4
10  B9R1.34  CC1CC(N)CC(C)N1 D86047 [1,0,0,1,0,0|2,0,0]=4
11  B9R1.34  CC1CC(N)CC(C)S1 89935 [1,0,0,1,0,0|2,0,0]=4
12  B9R1.34  CC1CC(N)CC(C)S1 C93279 [1,0,0,1,0,0|2,0,0]=4
13  B9R1.41  CN(C)[C@@H]1CCC[C@@H]1O AT26861 [1,0,0,1,0,0|1,0,0]=3
14  B9R1.41  CN(C)[C@@H]1CCC[C@@H]1O F50029 [1,0,0,1,0,0|1,0,0]=3
15  B9R1.66  CC1(C)CNC[C@@H](O)C1 AT13827 [1,0,0,1,0,0|1,0,0]=3
16  B9R1.66  CC1(C)C[C@@H](N)CCS1 C93277 [1,0,0,1,0,0|2,0,0]=4
17  B9R1.66  C[C@H]1CCCC(C)(C)N1 E73399 [1,0,0,1,0,0|2,0,0]=4
18  B9R1.66  O[C@H]1CCCC(F)(F)C1 P19500 [1,0,0,1,0,0|2,0,0]=4
19  B11R1.1362  CC1CC(C)(C)NC(C)(C)C1 AT13201 [0,1,0,1,0,0|1,0,0]=3
20  B11R1.43  CN(C)CC1CCC(CN)C1 AC8945 [0,1,0,1,0,0|2,0,0]=4
21  B11R2.66  CN1C[C@H]2C(O)CO[C@H]2C1 AT26349 [0,0,0,2,0,0|2,0,0]=4
22  B11R2.433  N[C@H]1CC2CCN(CC2)C1 P12318 [0,0,0,2,0,0|2,0,0]=4