0 B5R1.3 BrCC1CC1 SBB054967 [0,1,0,0,0,0|1,0,0]=2 1 B5R1.3 NCC1CC1 SBB047771 [0,1,0,0,0,0|1,0,0]=2 2 B5R1.3 OCC1CC1 SBB059473 [0,1,0,0,0,0|1,0,0]=2 3 B3R0.1 BrCCBr SBB040806 [0,0,1,0,0,0|2,0,0]=3 4 B3R0.1 C=CCBr SBB059929 [0,0,1,0,0,0|1,0,2]=4 5 B3R0.1 CCCBr SBB040931 [0,0,1,0,0,0|1,0,0]=2 6 B3R0.1 C\C=C\Cl SBB059896 [0,0,1,0,0,0|1,0,2]=4 7 B3R0.1 ClCCCl SBB040805 [0,0,1,0,0,0|2,0,0]=3 8 B3R0.1 N#CCBr SBB066988 [0,0,1,0,0,0|2,0,1]=4 9 B3R0.1 N#CCN SBB065784 [0,0,1,0,0,0|2,0,1]=4 10 B3R0.1 NCCBr SBB005857 [0,0,1,0,0,0|2,0,0]=3 11 B3R0.1 NCCCl SBB005775 [0,0,1,0,0,0|2,0,0]=3 12 B3R0.1 OCCBr SBB058668 [0,0,1,0,0,0|1,0,0]=2 13 B3R0.1 [NH3+]CCBr SBB060242 [0,0,1,0,0,0|2,0,0]=3 14 B3R0.2 CC(C)Br SBB060452 [0,0,1,0,0,0|1,0,0]=2 15 B3R0.2 FC(F)I SBB089343 [0,0,1,0,0,0|3,0,0]=4 16 B5R1.2 OC1CNC1 SBB056270 [0,0,0,0,0,1|2,0,0]=3 17 B2R0.1 CCBr SBB040912 [1,0,1,0,0,0|1,0,0]=3 18 B2R0.1 ONC SBB005850 [1,0,1,0,0,0|1,0,0]=3 19 B4R0.1 CC(Br)CBr SBB060202 [0,1,1,0,0,0|1,0,0]=3 20 B4R0.1 CC(Br)CCl SBB061477 [0,1,1,0,0,0|1,0,0]=3 21 B4R0.1 CC(C)CBr SBB059932 [0,1,1,0,0,0|1,0,0]=3 22 B4R0.1 CC(C)NN SBB002129 [0,1,1,0,0,0|2,0,0]=4 23 B4R0.1 CC(Cl)CCl SBB059979 [0,1,1,0,0,0|1,0,0]=3 24 B4R0.1 CCC(C)Br SBB059931 [0,1,1,0,0,0|1,0,0]=3 25 B4R0.1 CCN(C)N SBB107453 [0,1,1,0,0,0|1,0,0]=3 26 B4R0.1 COC(=N)N SBB067236 [0,1,1,0,0,0|1,0,1]=4 27 B4R0.1 ClC(Br)CBr SBB059976 [0,1,1,0,0,0|2,0,0]=4 28 B4R0.1 NCC(=O)O SBB071447 [0,1,1,0,0,0|1,0,1]=4 29 B4R0.1 NCC(F)F SBB009831 [0,1,1,0,0,0|2,0,0]=4 30 B4R0.1 O=C(O)CBr SBB053569 [0,1,1,0,0,0|1,0,1]=4 31 B4R0.1 OCC(F)F SBB021966 [0,1,1,0,0,0|1,0,0]=3 32 B4R0.2 BrCCCBr SBB060203 [0,1,1,0,0,0|1,0,0]=3 33 B4R0.2 CCCCBr SBB059930 [0,1,1,0,0,0|1,0,0]=3 34 B4R0.2 CNCC#N SBB071612 [0,1,1,0,0,0|1,0,1]=4 35 B4R0.2 CNCCI SBB071605 [0,1,1,0,0,0|1,0,0]=3 36 B4R0.2 COCCBr SBB007906 [0,1,1,0,0,0|0,0,0]=2 37 B4R0.2 C\C=C\CC SBB059879 [0,1,1,0,0,0|1,0,0]=3 38 B4R0.2 ClCCCBr SBB058669 [0,1,1,0,0,0|1,0,0]=3 39 B4R0.2 ClCCCCl SBB040918 [0,1,1,0,0,0|1,0,0]=3 40 B4R0.2 OCCCBr SBB054750 [0,1,1,0,0,0|0,0,0]=2 41 B4R0.2 [NH2+](CC)CC SBB059849 [0,1,1,0,0,0|1,0,0]=3 42 B4R0.3 CC(C)(C)Br SBB060197 [0,1,1,0,0,0|1,0,0]=3 43 B4R0.3 C[N+](C)(C)C SBB087926 [0,1,1,0,0,0|2,0,0]=4 44 B6R1.6 BrCC1CCC1 SBB054975 [0,1,0,0,0,1|1,0,0]=3 45 B6R1.6 NCC1CCC1 SBB108847 [0,1,0,0,0,1|1,0,0]=3 46 B6R1.10 CC1(N)CCC1 SBB072407 [0,1,0,0,0,1|1,0,0]=3 47 B6R1.3 S=C=NC1CC1 SBB017403 [0,2,0,0,0,0|1,0,1]=4 48 B6R1.7 CC1(CCl)CO1 SBB054966 [0,2,0,0,0,0|0,0,0]=2 49 B6R1.7 CC1(CO)CC1 SBB084505 [0,2,0,0,0,0|1,0,0]=3 50 B6R1.7 N#CC1(N)CC1 SBB068454 [0,2,0,0,0,0|1,0,1]=4 51 B6R1.11 CC(=O)C1CC1 SBB040825 [0,2,0,0,0,0|1,0,0]=3 52 B6R1.11 CC(N)C1CC1 SBB027096 [0,2,0,0,0,0|1,0,0]=3 53 B6R1.11 N=C(N)C1CC1 SBB028203 [0,2,0,0,0,0|1,0,1]=4 54 B6R1.11 NC(=O)C1CC1 SBB008326 [0,2,0,0,0,0|1,0,1]=4 55 B6R1.11 NC(=S)C1CC1 SBB024106 [0,2,0,0,0,0|1,0,1]=4 56 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,2,0,0,0,0|1,0,1]=4 57 B6R1.11 O=C(O)C1CC1 SBB008028 [0,2,0,0,0,0|1,0,1]=4 58 B6R1.9 NC1CC1(F)F SBB085744 [0,2,0,0,0,0|2,0,0]=4 59 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,0,0,2|2,0,0]=4 60 B6R1.2 CC1=CON=C1 SBB025727 [0,0,0,0,0,2|0,0,2]=4 61 B6R1.2 CC1=NCCN1 SBB040067 [0,0,0,0,0,2|1,0,1]=4 62 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,0,0,0,0,2|2,0,0]=4 63 B6R1.2 N1CCC(N)C1 SBB027337 [0,0,0,0,0,2|2,0,0]=4 64 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,0,0,2|2,0,0]=4 65 B6R1.2 NC1CCNC1 SBB003982 [0,0,0,0,0,2|2,0,0]=4 66 B6R1.2 O=C1C=CCO1 SBB040281 [0,0,0,0,0,2|1,0,1]=4 67 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,0,0,2|2,0,0]=4 68 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,0,0,2|2,0,0]=4 69 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,0,0,2|2,0,0]=4 70 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,0,0,2|1,0,0]=3