0 B3R0.2 CC(C)Br SBB060452 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 FC(F)I SBB089343 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 N=C(N)N SBB065761 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 NC(N)=O SBB008449 [0,0,0,0,0,0|2,0,0]=2 4 B2R0.1 CCBr SBB040912 [1,0,0,0,0,0|1,0,1]=3 5 B2R0.1 N#CBr SBB061206 [1,0,0,0,0,0|2,0,1]=4 6 B2R0.1 ONC SBB005850 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 C=C(Br)CBr SBB061691 [0,1,0,0,0,0|2,0,0]=3 8 B4R0.1 CC(Br)CBr SBB060202 [0,1,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(Br)CCl SBB061477 [0,1,0,0,0,0|2,0,1]=4 10 B4R0.1 CC(C)CBr SBB059932 [0,1,0,0,0,0|2,0,1]=4 11 B4R0.1 CC(C)NN SBB002129 [0,1,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(Cl)CCl SBB059979 [0,1,0,0,0,0|2,0,1]=4 13 B4R0.1 CCC(C)Br SBB059931 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 CCN(C)N SBB107453 [0,1,0,0,0,0|3,0,0]=4 15 B4R0.1 COC(=N)N SBB067236 [0,1,0,0,0,0|2,0,0]=3 16 B4R0.1 CSC(=N)N SBB080624 [0,1,0,0,0,0|2,0,0]=3 17 B4R0.1 CSC(=N)N SBB095512 [0,1,0,0,0,0|2,0,0]=3 18 B4R0.1 ClC(Br)CBr SBB059976 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 N=C(N)CCl SBB056491 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 NCC(=O)O SBB071447 [0,1,0,0,0,0|0,0,0]=1 21 B4R0.1 NCC(=O)[O-] SBB116671 [0,1,0,0,0,0|0,0,1]=2 22 B4R0.1 NCC(F)F SBB009831 [0,1,0,0,0,0|2,0,1]=4 23 B4R0.1 NNC(N)=S SBB040860 [0,1,0,0,0,0|2,1,0]=4 24 B4R0.1 O=C(Br)CBr SBB040828 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 O=C(Cl)CBr SBB051682 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 O=C(Cl)CCl SBB040859 [0,1,0,0,0,0|1,0,0]=2 27 B4R0.1 O=C(O)CBr SBB053569 [0,1,0,0,0,0|0,0,0]=1 28 B4R0.1 OCC(F)F SBB021966 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 [NH2+]=C(N)SC SBB060409 [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 [NH3+]NC(=N)N SBB059784 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.1 [NH3+]NC(N)=O SBB060865 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.3 CC(C)(C)Br SBB060197 [0,1,0,0,0,0|2,0,1]=4 33 B4R0.3 C[N+](C)(C)C SBB087926 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.3 NS(N)(=O)=O SBB049643 [0,1,0,0,0,0|2,0,1]=4 35 B4R0.3 O=S(=O)(O)O SBB066031 [0,1,0,0,0,0|2,0,0]=3 36 B3R0.1 BrCCBr SBB040806 [1,1,0,0,0,0|1,0,1]=4 37 B3R0.1 C=CCBr SBB059929 [1,1,0,0,0,0|1,0,0]=3 38 B3R0.1 CCCBr SBB040931 [1,1,0,0,0,0|1,0,1]=4 39 B3R0.1 C\C=C\Cl SBB059896 [1,1,0,0,0,0|1,0,0]=3 40 B3R0.1 ClCCCl SBB040805 [1,1,0,0,0,0|1,0,1]=4 41 B3R0.1 N#CCBr SBB066988 [1,1,0,0,0,0|1,0,1]=4 42 B3R0.1 N#CCN SBB065784 [1,1,0,0,0,0|1,0,1]=4 43 B3R0.1 NCCBr SBB005857 [1,1,0,0,0,0|1,0,1]=4 44 B3R0.1 NCCCl SBB005775 [1,1,0,0,0,0|1,0,1]=4 45 B3R0.1 OCCBr SBB058668 [1,1,0,0,0,0|0,0,1]=3 46 B3R0.1 [NH3+]CCBr SBB060242 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 C#CCC(=O)O SBB116169 [0,2,0,0,0,0|0,0,0]=2 48 B5R0.1 CC(=O)CC#N SBB014113 [0,2,0,0,0,0|1,0,0]=3 49 B5R0.1 CC(=O)N=S=O SBB059583 [0,2,0,0,0,0|0,0,1]=3 50 B5R0.1 CC(C)=CCBr SBB061690 [0,2,0,0,0,0|2,0,0]=4 51 B5R0.1 CC(C)CCO SBB060162 [0,2,0,0,0,0|1,0,1]=4 52 B5R0.1 CC(C)N=C=O SBB046976 [0,2,0,0,0,0|1,0,1]=4 53 B5R0.1 CCCC(=O)Cl SBB040624 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.1 CCOC(=O)Cl SBB040861 [0,2,0,0,0,0|1,0,0]=3 55 B5R0.1 COCC(=O)O SBB061376 [0,2,0,0,0,0|0,0,0]=2 56 B5R0.1 CS(=O)CCN SBB050811 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.1 CSCC(=O)O SBB053570 [0,2,0,0,0,0|0,0,0]=2 58 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.1 C\C(N)=C\C#N SBB002655 [0,2,0,0,0,0|2,0,0]=4 60 B5R0.1 N#CCC(N)=O SBB007540 [0,2,0,0,0,0|1,0,0]=3 61 B5R0.1 N#CCC(N)=S SBB015115 [0,2,0,0,0,0|1,1,0]=4 62 B5R0.1 O=C(O)CCBr SBB065770 [0,2,0,0,0,0|0,0,0]=2 63 B5R0.1 O=C(O)CCCl SBB069140 [0,2,0,0,0,0|0,0,0]=2 64 B5R0.3 C#CC(=O)OC SBB049642 [0,2,0,0,0,0|0,0,1]=3 65 B5R0.3 C=C(CCl)CCl SBB061694 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.3 C=CC(O)CBr SBB007652 [0,2,0,0,0,0|1,0,1]=4 67 B5R0.3 CCC(=O)NN SBB021112 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.3 CC\C(N)=N\O SBB024198 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.3 CNC(=N)NN SBB056467 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.3 CNC(=O)CBr SBB080576 [0,2,0,0,0,0|1,0,0]=3 71 B5R0.3 CNC(=O)CCl SBB049936 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.3 CNC(=S)NC SBB060411 [0,2,0,0,0,0|1,1,0]=4 73 B5R0.3 CNC(=S)NN SBB028184 [0,2,0,0,0,0|1,1,0]=4 74 B5R0.3 COC(=O)CBr SBB056823 [0,2,0,0,0,0|0,0,0]=2 75 B5R0.3 COC(=O)CCl SBB040686 [0,2,0,0,0,0|0,0,0]=2 76 B5R0.3 COC(=O)NN SBB061728 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.3 CS\C(N)=N/N SBB098045 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.3 NNC(=O)CO SBB111858 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.3 OC(CCl)CCl SBB060190 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.3 OCC(O)CCl SBB060480 [0,2,0,0,0,0|0,0,2]=4 81 B5R0.3 P(=O)(OC)OC SBB060964 [0,2,0,0,0,0|1,0,0]=3 82 B5R0.3 [NH2+]=C(NN)SC SBB072632 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.4 CC(C)(C)NO SBB056490 [0,2,0,0,0,0|1,0,1]=4 84 B5R0.4 CCS(=O)(=O)Cl SBB061401 [0,2,0,0,0,0|1,0,1]=4 85 B5R0.4 COS(C)(=O)=O SBB058203 [0,2,0,0,0,0|1,0,0]=3 86 B5R0.4 O=S(=O)(Cl)CCl SBB066601 [0,2,0,0,0,0|1,0,1]=4 87 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,2,0,0,0,0|1,0,0]=3 88 B5R0.5 CC(=O)C(F)F SBB021370 [0,2,0,0,0,0|1,0,0]=3 89 B5R0.5 CC(=S)N(C)C SBB007924 [0,2,0,0,0,0|1,1,0]=4 90 B5R0.5 CC(Br)C(=O)O SBB060286 [0,2,0,0,0,0|0,0,0]=2 91 B5R0.5 CC(C)C(=N)N SBB056456 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.5 CC(O)C(=O)O SBB065762 [0,2,0,0,0,0|0,0,0]=2 94 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,2,0,0,0,0|1,0,0]=3 95 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,2,0,0,0,0|0,0,1]=3 96 B5R0.5 CN(C)C(=S)Cl SBB085540 [0,2,0,0,0,0|1,1,0]=4 97 B5R0.5 CN(N)C(N)=S SBB066591 [0,2,0,0,0,0|1,1,0]=4 98 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [0,2,0,0,0,0|2,0,0]=4 99 B5R1.2 OC1CNC1 SBB056270 [0,1,0,1,0,0|1,0,1]=4 100 B5R1.3 OCC1CC1 SBB059473 [0,1,0,1,0,0|1,0,1]=4