0  B7R0.11  CCC(C)(C)CC=O Y14611 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.5  CSCC(C)(C)N D76732 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.5  C[N+](C)(C)CCO C16169 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.8  CC(C)(C#N)CBr AC8195 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.51  CC1(C)CC(Cl)=NO1 AC8145 [0,0,0,1,0,0|3,0,0]=4
5  B8R1.51  CC1(C)C[C@H](O)CN1 P16596 [0,0,0,1,0,0|3,0,0]=4
6  B8R1.52  CO[C@@]1(C)CCNC1 C77432 [0,0,0,1,0,0|0,0,2]=3
7  B5R0.4  CC(C)(F)CI AC1604 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.4  CC(C)(F)CN 85780 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.8  C#CCCC(C)(C)O D79338 [1,1,0,0,0,0|1,0,1]=4
10  B7R0.14  CC(C)(O)[C@@H](F)CN 89813 [1,1,0,0,0,0|2,0,0]=4
11  B7R1.6  BrCC[C@H]1CCO1 D79156 [1,0,0,1,0,0|2,0,0]=4
12  B7R1.6  ICC[C@H]1CCO1 D79155 [1,0,0,1,0,0|2,0,0]=4
13  B7R1.6  NCC[C@H]1CCO1 D79157 [1,0,0,1,0,0|2,0,0]=4
14  B7R1.6  NCC[C@H]1CCO1 P17247 [1,0,0,1,0,0|2,0,0]=4
15  B7R1.6  OCC[C@H]1CCO1 D84844 [1,0,0,1,0,0|2,0,0]=4
16  B7R1.6  OCC[C@H]1CCO1 P19429 [1,0,0,1,0,0|2,0,0]=4
17  B7R1.10  CO[C@H]1C[C@@H](O)C1 W15861 [1,0,0,1,0,0|2,0,0]=4
18  B7R1.10  CO[C@H]1C[C@H](O)C1 C77446 [1,0,0,1,0,0|2,0,0]=4
19  B7R1.14  C[C@]1(O)CCNC1 95716 [1,0,0,1,0,0|0,0,2]=4
20  B7R1.14  C[C@]1(O)CCNC1 P15825 [1,0,0,1,0,0|0,0,2]=4
21  B7R1.14  C[C@]1(O)CCNC1 P15831 [1,0,0,1,0,0|0,0,2]=4
22  B7R1.16  CC1(O)CC(N)C1 P19045 [1,0,0,1,0,0|2,0,0]=4
23  B7R1.16  C[C@]1(O)C[C@@H](N)C1 P13179 [1,0,0,1,0,0|2,0,0]=4
24  B7R1.16  C[C@]1(O)C[C@H](N)C1 38619 [1,0,0,1,0,0|2,0,0]=4
25  B7R1.17  CC1(C)CC[C@@H]1O P17222 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.17  CC1(C)OC[C@@H]1N P17954 [1,0,0,1,0,0|0,0,1]=3
27  B9R1.175  COC1(CCO)COC1 P18427 [0,1,0,1,0,0|2,0,0]=4
28  B9R2.198  CC12CC(N)(CO1)C2 P20489 [0,0,0,2,0,0|2,0,0]=4
29  B9R2.162  COC12CC(N)(C1)C2 P20017 [0,0,0,2,0,0|2,0,0]=4