0  B5R0.5  O=C(Cl)C(F)Cl 104873 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  COC(N)=S 105257 [1,0,0,0,0,0|2,1,0]=4
2  B4R0.1  [13CH](=O)N(C)C 105188 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.1  [2H]C(=O)OC 105254 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.3  CCC(C)S(=O)[O-] 070719 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.3  CCN(Cl)C(=O)O 105234 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.3  CNC(=O)[C@H](C)N 105085 [0,1,0,0,0,0|2,0,0]=3
7  B6R0.3  COC(C)C(=O)O 219524 [0,1,0,0,0,0|0,0,0]=1
8  B6R0.7  CC(C)(F)C(=O)Cl 105008 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.7  CC(C)S(=O)(=O)F 070500 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.2  CC(=O)OC(C)=O 035908 [0,0,0,0,0,1|1,0,2]=4
11  B3R0.1  N[13CH2][13CH2]O 105350 [2,0,0,0,0,0|1,0,1]=4
12  B3R0.1  [C-]#[N+]CC 433365 [2,0,0,0,0,0|2,0,0]=4
13  B3R0.2  CC(=O)O 035907 [2,0,0,0,0,0|0,0,0]=2
14  B3R0.2  CC(=O)O 044721 [2,0,0,0,0,0|0,0,0]=2
15  B3R0.2  CC(C)=O 050332 [2,0,0,0,0,0|1,0,0]=3
16  B3R0.2  O=C(O)O 094746 [2,0,0,0,0,0|0,0,0]=2
17  B3R0.2  O=C(O)O 105338 [2,0,0,0,0,0|0,0,0]=2
18  B3R0.2  O=C([O-])[O-] 044706 [2,0,0,0,0,0|0,0,2]=4
19  B3R0.2  O=C([O-])[O-] 245931 [2,0,0,0,0,0|0,0,2]=4
20  B3R0.2  [2H]C(=O)O 105268 [2,0,0,0,0,0|1,0,0]=3
21  B3R0.2  [2H]C(=O)[O-] 105199 [2,0,0,0,0,0|1,0,1]=4
22  B5R0.1  CCOC(=S)Cl 470560 [1,1,0,0,0,0|1,1,0]=4
23  B5R0.1  CCOC(N)=S 105176 [1,1,0,0,0,0|1,1,0]=4
24  B5R0.1  [2H]C(=O)OCC 105259 [1,1,0,0,0,0|1,0,0]=3
25  B5R0.3  CNC(=O)NN 237741 [1,1,0,0,0,0|2,0,0]=4
26  B5R0.4  CC(C)(F)CO 104410 [1,1,0,0,0,0|1,0,1]=4
27  B7R0.2  C=CC(C)CC(=O)O 229282 [0,1,0,0,0,1|1,0,0]=3
28  B7R0.2  CC(C)CC(=O)NN 061371 [0,1,0,0,0,1|2,0,0]=4
29  B7R0.5  C=CCC(F)C(C)=O 049763 [0,2,0,0,0,0|2,0,0]=4
30  B7R0.5  NC(=O)C(Br)CCBr 105247 [0,2,0,0,0,0|2,0,0]=4
31  B7R0.10  COC(=O)C(C)CBr 104870 [0,2,0,0,0,0|1,0,0]=3
32  B7R0.14  CC(C)(C)C(=O)ON 105751 [0,2,0,0,0,0|1,0,0]=3