0  B5R0.5  C[C@H](N)C(N)=O 094668 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.1  O=CC(Cl)Cl 103095 [1,0,0,0,0,0|2,0,0]=3
2  B4R0.1  [2H]OC([2H])=O 102711 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  [C-]#[N+]C(C)C 480961 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.3  C=CC(C)C(=O)O 103612 [0,1,0,0,0,0|1,0,0]=2
5  B6R0.3  COC(=O)[C@@H](C)Br 097700 [0,1,0,0,0,0|1,0,0]=2
6  B6R0.3  O=C(O)C(=O)CF 104062 [0,1,0,0,0,0|0,0,2]=3
7  B6R0.7  CC(C)(Br)C(=O)Cl 102664 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.7  CC(F)(Br)C(=O)O 075681 [0,1,0,0,0,0|1,0,0]=2
9  B6R0.7  CC(O)C(Cl)(Cl)Cl 099765 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.7  O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3
11  B6R0.7  O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3
12  B6R0.7  O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3
13  B3R0.1  C#CCC 009072 [2,0,0,0,0,0|1,0,1]=4
14  B3R0.1  C=CC=O 103755 [2,0,0,0,0,0|0,0,2]=4
15  B3R0.1  O=CCBr 105198 [2,0,0,0,0,0|1,0,0]=3
16  B3R0.2  O=[N+]([O-])O 102497 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.1  CCCS(=O)[O-] 035598 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.1  NC(=O)NCO 101312 [1,1,0,0,0,0|1,0,0]=3
19  B5R0.1  O=C(O)\C=C\Cl 180014 [1,1,0,0,0,0|0,0,2]=4
20  B7R0.2  CNC(=O)CC(C)C 103448 [0,1,0,0,0,1|2,0,0]=4
21  B7R0.16  CC(C)C(Br)C(=O)Cl 477377 [0,1,0,0,0,1|2,0,0]=4
22  B7R0.16  CC(C)[C@@H](Br)C(=O)O 209858 [0,1,0,0,0,1|1,0,0]=3
23  B7R0.10  COC(=O)C(Cl)C=O 070635 [0,2,0,0,0,0|1,0,1]=4
24  B7R0.13  CC(C)(CBr)C(=O)Cl 102665 [0,2,0,0,0,0|2,0,0]=4
25  B7R0.13  CC[C@@](C)(N)C(=O)O 048166 [0,2,0,0,0,0|1,0,0]=3
26  B7R1.2  CC1COC(=O)O1 102084 [0,0,0,1,0,1|1,0,0]=3
27  B7R1.12  O=C(O)[C@H]1C[C@@H]1F 037362 [0,0,0,1,0,1|1,0,0]=3