0  B6R0.3  CCC(C)S(=O)[O-] 070719 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.3  CCC(N)C(C)C 214340 [0,0,0,0,0,0|3,0,1]=4
2  B6R0.3  CCN(Cl)C(=O)O 105234 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.3  COC(C)C(=O)O 219524 [0,0,0,0,0,0|3,0,0]=3
4  B5R0.1  [2H]C(=O)OCC 105259 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.5  O=C(Cl)C(F)Cl 104873 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.5  C=CCC(F)C(C)=O 049763 [0,1,0,0,0,0|3,0,0]=4
7  B7R0.5  NC(=O)C(Br)CCBr 105247 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.10  COC(=O)C(C)CBr 104870 [0,1,0,0,0,0|2,0,0]=3
9  B7R0.2  C=CC(C)CC(=O)O 229282 [0,0,0,0,0,1|2,0,1]=4
10  B4R0.1  [13CH](=O)N(C)C 105188 [2,0,0,0,0,0|2,0,0]=4
11  B4R0.1  [2H]C(=O)OC 105254 [2,0,0,0,0,0|2,0,0]=4
12  B4R0.2  COCC=O 105128 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.1  CCOC(=O)OC 075947 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.4  CCCCC(C)=O 098350 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.4  O=CNCC(=O)O 242940 [1,1,0,0,0,0|0,1,1]=4
16  B6R0.7  CC(C)(F)C(=O)Cl 105008 [1,1,0,0,0,0|2,0,0]=4
17  B8R0.3  CCOC(=O)C(C)CCl 104850 [0,2,0,0,0,0|2,0,0]=4
18  B8R0.27  CC(C)(O)C(O)C(=O)O 478110 [0,2,0,0,0,0|1,1,0]=4
19  B8R0.27  O=C(O)C(Br)C(F)(F)F 075517 [0,2,0,0,0,0|2,0,0]=4
20  B8R0.27  [2H]C([2H])([2H])[C@@H](N)C(=O)O 097647 [0,2,0,0,0,0|1,0,0]=3