0  B6R0.2  CC(=O)OC(C)=O 035908 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.2  CC(C)NC(C)C 005001 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  CCOC(=S)Cl 470560 [1,0,0,0,0,0|2,1,0]=4
3  B5R0.1  CCOC(N)=S 105176 [1,0,0,0,0,0|2,1,0]=4
4  B5R0.1  [2H]C(=O)OCC 105259 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.2  C=CC(C)CC(=O)O 229282 [0,1,0,0,0,0|0,0,1]=2
6  B7R0.2  CC(C)CC(=O)NN 061371 [0,1,0,0,0,0|1,0,0]=2
7  B7R0.9  CC(=O)CC(F)(F)F 007508 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.9  CC(C)CS(=O)(=O)F 070727 [0,1,0,0,0,0|1,0,1]=3
9  B7R0.16  CC(=O)C(F)C(C)=O 049764 [0,1,0,0,0,0|2,0,1]=4
10  B7R1.20  CN(C)CC1CO1 098581 [0,0,0,1,0,0|2,0,1]=4
11  B7R1.20  NC(=S)NC1CC1 208666 [0,0,0,1,0,0|2,1,0]=4
12  B5R0.5  O=C(Cl)C(F)Cl 104873 [0,0,0,0,1,0|3,0,0]=4
13  B7R0.6  CN(C)CCC(N)=O 043225 [0,0,0,0,0,1|2,0,0]=3
14  B4R0.1  [13CH](=O)N(C)C 105188 [2,0,0,0,0,0|1,0,0]=3
15  B4R0.1  [2H]C(=O)OC 105254 [2,0,0,0,0,0|2,0,0]=4
16  B4R0.2  CCN=C=O 386377 [2,0,0,0,0,0|1,0,1]=4
17  B4R0.2  COCC=O 105128 [2,0,0,0,0,0|1,0,0]=3
18  B6R0.1  CCOC(=O)OC 075947 [1,1,0,0,0,0|1,0,0]=3
19  B6R0.1  COCC(C)CN 105383 [1,1,0,0,0,0|2,0,0]=4
20  B6R0.3  CCC(C)S(=O)[O-] 070719 [1,1,0,0,0,0|1,0,1]=4
21  B6R0.3  CCC(N)C(C)C 214340 [1,1,0,0,0,0|1,0,1]=4
22  B6R0.3  CCN(Cl)C(=O)O 105234 [1,1,0,0,0,0|1,0,0]=3
23  B6R0.3  COC(C)C(=O)O 219524 [1,1,0,0,0,0|1,0,0]=3
24  B6R0.4  CC(C)CCCBr 113000 [1,1,0,0,0,0|1,0,1]=4
25  B6R0.4  CCCCC(C)=O 098350 [1,1,0,0,0,0|1,0,0]=3
26  B6R0.4  O=CNCC(=O)O 242940 [1,1,0,0,0,0|1,0,1]=4
27  B6R0.7  CC(C)(F)C(=O)Cl 105008 [0,1,0,0,1,0|1,0,0]=3
28  B6R0.7  CC(C)S(=O)(=O)F 070500 [0,1,0,0,1,0|1,0,1]=4
29  B8R0.29  CC(C)CCS(=O)(=O)Cl 037865 [0,1,0,0,0,1|1,0,1]=4
30  B8R0.5  CC(C)CC(C)N=C=O 097763 [0,2,0,0,0,0|1,0,1]=4
31  B8R0.24  CCC(C)CS(=O)(=O)Cl 069686 [0,2,0,0,0,0|1,0,1]=4
32  B8R0.27  CC(C)(O)C(O)C(=O)O 478110 [0,2,0,0,0,0|0,0,0]=2
33  B8R0.27  O=C(O)C(Br)C(F)(F)F 075517 [0,2,0,0,0,0|2,0,0]=4
34  B8R0.27  [2H]C([2H])([2H])[C@@H](N)C(=O)O 097647 [0,2,0,0,0,0|2,0,0]=4
35  B8R1.4  C[C@@H]1CCCC(=O)O1 329497 [0,1,0,1,0,0|2,0,0]=4