0 B4R0.3 CC(C)(C)O 2825286 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.3 CS(=O)(=O)O 2816712 [0,0,0,0,0,0|1,0,0]=1 2 B4R0.3 CS(N)(=O)=O 2825472 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.3 C[S+](C)(C)=O 22430502 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.3 NS(=O)(=O)O 2825492 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.3 O=P(Br)(Br)Br 22430541 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.3 O=S(=O)(O)O 22430399 [0,0,0,0,0,0|0,0,0]=0 7 B4R0.3 O=S(=O)(O)O 22430587 [0,0,0,0,0,0|0,0,0]=0 8 B4R0.3 O=S(=O)([O-])O 22430383 [0,0,0,0,0,0|0,0,1]=1 9 B3R0.2 CC(=O)O 22430651 [1,0,0,0,0,0|2,0,0]=3 10 B3R0.2 CC(=O)O 2825250 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.2 CC(=O)O 2825650 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.2 CC(=O)S 6057532 [1,0,0,0,0,0|2,1,0]=4 13 B3R0.2 CC(=O)[O-] 22430506 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.2 CC(N)=O 2825246 [1,0,0,0,0,0|3,0,0]=4 15 B3R0.2 C[N+](=O)[O-] 6057031 [1,0,0,0,0,0|2,0,1]=4 16 B3R0.2 O=[N+]([O-])O 22430585 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.4 CCS(=O)(=O)Cl 22430516 [0,1,0,0,0,0|2,0,0]=3 18 B5R0.4 CCS(C)(=O)=O 1115483 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.4 CCS(N)(=O)=O 2825737 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.4 CNS(=O)(=O)Cl 1499546 [0,1,0,0,0,0|2,0,0]=3 21 B5R0.4 CS(=O)(=O)NO 1778599 [0,1,0,0,0,0|1,0,0]=2 22 B5R0.4 NOS(=O)(=O)O 2825849 [0,1,0,0,0,0|0,0,0]=1 23 B2R0.1 CC=O 3585877 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.1 C=CC(=O)O 2825263 [1,1,0,0,0,0|2,0,0]=4 25 B4R0.1 CC(=O)C=O 2825264 [1,1,0,0,0,0|2,0,0]=4 26 B4R0.1 CC(=O)CO 2825282 [1,1,0,0,0,0|2,0,0]=4 27 B4R0.1 CCC(=O)O 14605034 [1,1,0,0,0,0|2,0,0]=4 28 B4R0.1 COC(=O)Cl 2825463 [1,1,0,0,0,0|2,0,0]=4 29 B4R0.1 COC(N)=O 2825294 [1,1,0,0,0,0|2,0,0]=4 30 B4R0.1 NC(=O)NO 4666717 [1,1,0,0,0,0|2,0,0]=4 31 B4R0.1 NCC(=O)O 2825296 [1,1,0,0,0,0|2,0,0]=4 32 B4R0.1 NCC(=O)O 5753509 [1,1,0,0,0,0|2,0,0]=4 33 B4R0.1 O=C(O)CBr 2827321 [1,1,0,0,0,0|2,0,0]=4 34 B4R0.1 O=C(O)CCl 2825462 [1,1,0,0,0,0|2,0,0]=4 35 B4R0.1 O=C(O)CI 2928692 [1,1,0,0,0,0|2,0,0]=4 36 B4R0.1 O=C(O)CO 2825300 [1,1,0,0,0,0|1,0,0]=3 37 B4R0.1 O=C(O)CS 2119848 [1,1,0,0,0,0|1,1,0]=4 38 B4R0.1 O=CC(=O)O 2825277 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.5 C#CCS(C)(=O)=O 1600203 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.5 C=CCS(C)(=O)=O 1600204 [0,2,0,0,0,0|2,0,0]=4 41 B6R0.5 CCCS(=O)(=O)Cl 1051759 [0,2,0,0,0,0|2,0,0]=4 42 B6R0.5 CCNS(=O)(=O)Cl 1499547 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.5 CS(=O)(=O)CCN 1366570 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.5 CS(=O)(=O)N=C=O 1778687 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.5 CS(=O)(=O)N=[N+]=[N-] 3643787 [0,2,0,0,0,0|2,0,0]=4 46 B6R0.5 NCCS(=O)(=O)O 2817430 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.5 O=C=NS(=O)(=O)Cl 2827695 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.7 CC(C)S(=O)(=O)Cl 1144950 [0,2,0,0,0,0|2,0,0]=4 49 B6R0.7 CC(C)S(N)(=O)=O 2652427 [0,2,0,0,0,0|2,0,0]=4 50 B6R0.7 CN(C)S(=O)(=O)Cl 1051761 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.7 CN(C)S(N)(=O)=O 7112908368 [0,2,0,0,0,0|2,0,0]=4 52 B6R0.8 COS(=O)(=O)OC 2826316 [0,2,0,0,0,0|0,0,0]=2