0 B3R0.2 CC(C)Br SBB060452 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 FC(F)I SBB089343 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 N=C(N)N SBB065761 [0,0,0,0,0,0|4,0,0]=4 3 B3R0.2 NC(N)=O SBB008449 [0,0,0,0,0,0|3,0,0]=3 4 B2R0.1 CCBr SBB040912 [1,0,0,0,0,0|2,0,0]=3 5 B2R0.1 N#CBr SBB061206 [1,0,0,0,0,0|3,0,0]=4 6 B2R0.1 ONC SBB005850 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 C=C(Br)CBr SBB061691 [0,1,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(Br)CBr SBB060202 [0,1,0,0,0,0|2,0,0]=3 9 B4R0.1 CC(Br)CCl SBB061477 [0,1,0,0,0,0|2,0,0]=3 10 B4R0.1 CC(C)CBr SBB059932 [0,1,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(C)NN SBB002129 [0,1,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(Cl)CCl SBB059979 [0,1,0,0,0,0|2,0,0]=3 13 B4R0.1 CCC(C)Br SBB059931 [0,1,0,0,0,0|2,0,0]=3 14 B4R0.1 CCN(C)N SBB107453 [0,1,0,0,0,0|2,0,0]=3 15 B4R0.1 COC(=N)N SBB067236 [0,1,0,0,0,0|3,0,0]=4 16 B4R0.1 CSC(=N)N SBB080624 [0,1,0,0,0,0|3,0,0]=4 17 B4R0.1 CSC(=N)N SBB095512 [0,1,0,0,0,0|3,0,0]=4 18 B4R0.1 ClC(Br)CBr SBB059976 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 N=C(N)CCl SBB056491 [0,1,0,0,0,0|3,0,0]=4 20 B4R0.1 NCC(=O)O SBB071447 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 NCC(=O)[O-] SBB116671 [0,1,0,0,0,0|2,0,0]=3 22 B4R0.1 NCC(F)F SBB009831 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.1 O=C(Br)CBr SBB040828 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 O=C(Cl)CBr SBB051682 [0,1,0,0,0,0|2,0,0]=3 25 B4R0.1 O=C(Cl)CCl SBB040859 [0,1,0,0,0,0|2,0,0]=3 26 B4R0.1 O=C(O)CBr SBB053569 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 OCC(F)F SBB021966 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.1 [NH2+]=C(N)SC SBB060409 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 [NH3+]NC(N)=O SBB060865 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.3 CC(C)(C)Br SBB060197 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.3 C[N+](C)(C)C SBB087926 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.3 NS(N)(=O)=O SBB049643 [0,1,0,0,0,0|2,0,1]=4 33 B4R0.3 O=S(=O)(O)O SBB066031 [0,1,0,0,0,0|2,0,1]=4 34 B3R0.1 BrCCBr SBB040806 [1,1,0,0,0,0|2,0,0]=4 35 B3R0.1 C=CCBr SBB059929 [1,1,0,0,0,0|1,0,1]=4 36 B3R0.1 CCCBr SBB040931 [1,1,0,0,0,0|1,0,0]=3 37 B3R0.1 C\C=C\Cl SBB059896 [1,1,0,0,0,0|1,0,1]=4 38 B3R0.1 ClCCCl SBB040805 [1,1,0,0,0,0|2,0,0]=4 39 B3R0.1 N#CCBr SBB066988 [1,1,0,0,0,0|2,0,0]=4 40 B3R0.1 N#CCN SBB065784 [1,1,0,0,0,0|2,0,0]=4 41 B3R0.1 NCCBr SBB005857 [1,1,0,0,0,0|2,0,0]=4 42 B3R0.1 NCCCl SBB005775 [1,1,0,0,0,0|2,0,0]=4 43 B3R0.1 OCCBr SBB058668 [1,1,0,0,0,0|1,0,1]=4 44 B3R0.1 [NH3+]CCBr SBB060242 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.1 C#CCC(=O)O SBB116169 [0,2,0,0,0,0|2,0,0]=4 46 B5R0.1 CC(=O)CC#N SBB014113 [0,2,0,0,0,0|1,0,0]=3 47 B5R0.1 CC(=O)N=S=O SBB059583 [0,2,0,0,0,0|2,0,0]=4 48 B5R0.1 CC(C)=CCBr SBB061690 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.1 CC(C)CCBr SBB061181 [0,2,0,0,0,0|2,0,0]=4 50 B5R0.1 CC(C)CCO SBB060162 [0,2,0,0,0,0|1,0,1]=4 51 B5R0.1 CC(C)CNN SBB042741 [0,2,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(C)N=C=O SBB046976 [0,2,0,0,0,0|1,0,0]=3 53 B5R0.1 CC(C)N=C=S SBB056455 [0,2,0,0,0,0|1,1,0]=4 54 B5R0.1 CC(C)SC#N SBB060088 [0,2,0,0,0,0|1,1,0]=4 55 B5R0.1 CCCC(=O)Cl SBB040624 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.1 CCOC(=O)Cl SBB040861 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.1 CN(C)CCBr SBB073020 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.1 CN(C)CCN SBB007533 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.1 COCC(=O)O SBB061376 [0,2,0,0,0,0|2,0,0]=4 60 B5R0.1 CS(=O)CCN SBB050811 [0,2,0,0,0,0|0,0,0]=2 61 B5R0.1 CSCC(=O)O SBB053570 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.1 N#CCC(N)=O SBB007540 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.1 O=C(O)CCBr SBB065770 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.1 O=C(O)CCCl SBB069140 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.3 C#CC(=O)OC SBB049642 [0,2,0,0,0,0|1,0,1]=4 68 B5R0.3 C=C(CCl)CCl SBB061694 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.3 CCC(=O)NN SBB021112 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.3 CCC(C)CBr SBB007669 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.3 CCC(Cl)CCl SBB060453 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.3 CCC(N)CC SBB000050 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.3 CCC(N)CC SBB071911 [0,2,0,0,0,0|2,0,0]=4 74 B5R0.3 CNC(=O)CBr SBB080576 [0,2,0,0,0,0|1,0,0]=3 75 B5R0.3 CNC(=O)CCl SBB049936 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.3 CNC(=S)NC SBB060411 [0,2,0,0,0,0|1,1,0]=4 77 B5R0.3 COC(=O)CBr SBB056823 [0,2,0,0,0,0|1,0,0]=3 78 B5R0.3 COC(=O)CCl SBB040686 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.3 COC(=O)NN SBB061728 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.3 ClCC(Cl)CCl SBB060982 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.3 NNC(=O)CO SBB111858 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.3 OC(CCl)CCl SBB060190 [0,2,0,0,0,0|1,0,1]=4 83 B5R0.3 OCC(O)CCl SBB060480 [0,2,0,0,0,0|1,0,1]=4 84 B5R0.3 P(=O)(OC)OC SBB060964 [0,2,0,0,0,0|1,0,0]=3 85 B5R0.4 CC(C)(C)NO SBB056490 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.4 CC(C)(N)C#N SBB043968 [0,2,0,0,0,0|2,0,0]=4 87 B5R0.4 CCS(=O)(=O)Cl SBB061401 [0,2,0,0,0,0|1,0,1]=4 88 B5R0.4 COS(C)(=O)=O SBB058203 [0,2,0,0,0,0|0,0,1]=3 89 B5R0.4 NNC(C)(C)C SBB005864 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.4 O=S(=O)(Cl)CCl SBB066601 [0,2,0,0,0,0|1,0,1]=4 91 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,2,0,0,0,0|1,0,0]=3 92 B5R0.5 CC(=O)C(F)F SBB021370 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.5 CC(=S)N(C)C SBB007924 [0,2,0,0,0,0|1,1,0]=4 94 B5R0.5 CC(Br)C(=O)O SBB060286 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.5 CC(Br)C(Cl)Br SBB059977 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [0,2,0,0,0,0|2,0,0]=4 97 B5R0.5 CC(C)C(=N)N SBB056456 [0,2,0,0,0,0|2,0,0]=4 98 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,2,0,0,0,0|1,0,0]=3 99 B5R0.5 CC(O)C(=O)O SBB065762 [0,2,0,0,0,0|2,0,0]=4 100 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,2,0,0,0,0|1,0,0]=3 101 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,2,0,0,0,0|1,0,0]=3 102 B5R0.5 CN(C)C(=S)Cl SBB085540 [0,2,0,0,0,0|1,1,0]=4 103 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [0,2,0,0,0,0|2,0,0]=4 104 B5R1.2 OC1CNC1 SBB056270 [0,1,0,1,0,0|1,0,1]=4 105 B5R1.3 BrCC1CC1 SBB054967 [0,1,0,1,0,0|2,0,0]=4 106 B5R1.3 NCC1CC1 SBB047771 [0,1,0,1,0,0|2,0,0]=4 107 B5R1.3 OCC1CC1 SBB059473 [0,1,0,1,0,0|1,0,1]=4