0  B4R0.3  CS(=O)(=O)C Z417007936 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.3  CS(=O)(=O)F Z361886230 [0,0,0,0,0,0|3,0,0]=3
2  B4R0.3  CS(=O)(=O)N Z54080282 [0,0,0,0,0,0|3,0,0]=3
3  B4R0.3  CS(=O)(=O)O Z281776238 [0,0,0,0,0,0|2,0,0]=2
4  B4R0.3  O=P(O)(O)F Z1255360409 [0,0,0,0,0,0|2,0,0]=2
5  B3R0.2  CC(=O)N Z33546370 [1,0,0,0,0,0|3,0,0]=4
6  B3R0.2  CC(=O)O Z1954803614 [1,0,0,0,0,0|2,0,0]=3
7  B3R0.2  CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|2,1,0]=4
8  B3R0.2  NC(=O)N Z104473900 [1,0,0,0,0,0|3,0,0]=4
9  B5R0.4  C=CS(=O)(=O)C Z608051272 [0,1,0,0,0,0|3,0,0]=4
10  B5R0.4  CC(C)(O)CO Z600454414 [0,1,0,0,0,0|3,0,0]=4
11  B5R0.4  CCS(=O)(=O)N Z54886646 [0,1,0,0,0,0|3,0,0]=4
12  B5R0.4  CNS(=O)(=O)C Z54078255 [0,1,0,0,0,0|3,0,0]=4
13  B5R0.4  CNS(=O)(=O)N Z56762361 [0,1,0,0,0,0|3,0,0]=4
14  B5R0.4  COS(=O)(=O)C Z133684226 [0,1,0,0,0,0|2,0,0]=3
15  B5R0.4  COS(=O)(=O)N Z300238034 [0,1,0,0,0,0|2,0,0]=3
16  B5R0.4  CS(=O)(=O)NN Z283687760 [0,1,0,0,0,0|3,0,0]=4
17  B5R0.4  O=S(=O)([O-])CCl Z104476408 [0,1,0,0,0,0|2,0,1]=4
18  B4R0.1  C#CC(=O)O Z104493798 [1,1,0,0,0,0|2,0,0]=4
19  B4R0.1  C=CC(=O)O Z57127944 [1,1,0,0,0,0|2,0,0]=4
20  B4R0.1  CC(=O)C=O Z104495190 [1,1,0,0,0,0|2,0,0]=4
21  B4R0.1  CC(=O)NO Z59181917 [1,1,0,0,0,0|2,0,0]=4
22  B4R0.1  CC(O)CO Z106938868 [1,1,0,0,0,0|2,0,0]=4
23  B4R0.1  CCC(=O)O Z104474154 [1,1,0,0,0,0|2,0,0]=4
24  B4R0.1  COC(=O)N Z104476722 [1,1,0,0,0,0|2,0,0]=4
25  B4R0.1  C[C@@H](O)CO Z1255486379 [1,1,0,0,0,0|2,0,0]=4
26  B4R0.1  C[C@H](O)CO Z1255449993 [1,1,0,0,0,0|2,0,0]=4
27  B4R0.1  NC(=O)CO Z424788508 [1,1,0,0,0,0|2,0,0]=4
28  B4R0.1  NC(=O)NO Z1203577934 [1,1,0,0,0,0|2,0,0]=4
29  B4R0.1  NCC(=O)O Z955123660 [1,1,0,0,0,0|2,0,0]=4
30  B4R0.1  O=C(O)CBr Z104473018 [1,1,0,0,0,0|2,0,0]=4
31  B4R0.1  O=C(O)CO Z104473274 [1,1,0,0,0,0|1,0,0]=3
32  B6R0.5  CCOS(=O)(=O)N Z2751120716 [0,2,0,0,0,0|2,0,0]=4
33  B6R0.5  N#CCP(=O)(O)O Z3025383580 [0,2,0,0,0,0|2,0,0]=4
34  B6R0.5  NCCS(=O)(=O)O Z248489432 [0,2,0,0,0,0|2,0,0]=4
35  B6R0.5  NS(=O)(=O)CCO Z1267897807 [0,2,0,0,0,0|2,0,0]=4
36  B6R0.7  CC(O)S(=O)(=O)[O-] Z1198151272 [0,2,0,0,0,0|1,0,1]=4
37  B6R0.8  COP(=O)([S-])OC Z3670332895 [0,2,0,0,0,0|1,1,0]=4
38  B6R0.8  COS(=O)(=O)OC Z104473216 [0,2,0,0,0,0|1,0,0]=3