0 B5R0.5 BrC(Br)C(Br)Br SBB060206 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,0,0,0,0,0|1,1,1]=3 2 B5R0.5 CC(=O)C(F)F SBB021370 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 CC(=S)N(C)C SBB007924 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 CC(Br)C(=O)O SBB060286 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 CC(Br)C(Cl)Br SBB059977 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.5 CC(C)C(=N)N SBB056456 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,0,0,0,0,0|1,1,1]=3 9 B5R0.5 CC(O)C(=O)O SBB065762 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,0,0,0,0,0|2,1,1]=4 12 B5R0.5 CN(C)C(=S)Cl SBB085540 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CC(Br)CBr SBB060202 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(Br)CCl SBB061477 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(C)CBr SBB059932 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.1 CC(C)NN SBB002129 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CC(Cl)CCl SBB059979 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CCC(C)Br SBB059931 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 CCN(C)N SBB107453 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 ClC(Br)CBr SBB059976 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 NCC(F)F SBB009831 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 OCC(F)F SBB021966 [1,0,0,0,0,0|2,1,0]=4 24 B6R0.3 C#CC(O)C(C)C SBB009138 [0,1,0,0,0,0|0,1,1]=3 25 B6R0.3 CC(C)C(=O)NN SBB030401 [0,1,0,0,0,0|1,1,1]=4 26 B6R0.3 CC(C)\C(N)=N/O SBB028172 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.3 CC(CN)C(=O)O SBB061656 [0,1,0,0,0,0|1,1,1]=4 28 B6R0.3 CC(CN)N(C)C SBB043927 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,1,0,0,0,0|2,1,0]=4 30 B6R0.3 CCC(C)C(C)C SBB061452 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,1,0,0,0,0|1,1,1]=4 33 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,1,0,0,0,0|1,1,1]=4 34 B6R0.3 COC(=O)C(C)C SBB061111 [0,1,0,0,0,0|0,1,1]=3 35 B6R0.3 COC(=O)C(C)N SBB007634 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.7 CC(=O)C(C)(C)C SBB060385 [0,1,0,0,0,0|0,1,1]=3 37 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [0,1,0,0,0,0|0,1,1]=3 38 B6R0.7 CC(=O)C(C)(C)N SBB013635 [0,1,0,0,0,0|0,1,1]=3 39 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,1,0,0,0,0|1,1,1]=4 40 B6R0.7 CC(C)(C)C(=N)N SBB072322 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.7 CC(C)(C)C(N)=O SBB028170 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.7 CC(C)(C)[S@](N)=O SBB056498 [0,1,0,0,0,0|2,1,0]=4 44 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,1,0,0,0,0|1,1,1]=4 45 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,1,0,0,0,0|1,1,1]=4 46 B6R0.7 CN(C)S(C)(=O)=O SBB007962 [0,1,0,0,0,0|2,1,0]=4 47 B6R0.7 NC(C)C(C)(C)C SBB005830 [0,1,0,0,0,0|1,0,0]=2 48 B6R1.9 NC1CC1(F)F SBB085744 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,0,1,0,0|0,1,1]=3 50 B6R1.11 CC(N)C1CC1 SBB027096 [0,0,0,1,0,0|1,0,0]=2 51 B6R1.11 N=C(N)C1CC1 SBB028203 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.11 NC(=O)C1CC1 SBB008326 [0,0,0,1,0,0|1,1,1]=4 53 B6R1.11 NC(=S)C1CC1 SBB024106 [0,0,0,1,0,0|1,0,2]=4 54 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,0,0,1,0,0|1,1,1]=4 55 B6R1.11 O=C(O)C1CC1 SBB008028 [0,0,0,1,0,0|1,1,1]=4 56 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,0,0,0,1|0,1,2]=4 57 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,0,0,0,1|0,1,1]=3 58 B6R0.2 CC(C)CB(O)O SBB062832 [0,0,0,0,0,1|2,1,0]=4 59 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,0,0,0,1|1,1,1]=4 60 B6R0.2 CC(C)CC(C)Br SBB007950 [0,0,0,0,0,1|1,0,0]=2 61 B6R0.2 CC(C)CC(C)O SBB061337 [0,0,0,0,0,1|0,1,0]=2 62 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,0,0,0,1|1,1,1]=4 63 B6R0.2 CC(C)NC(C)C SBB059763 [0,0,0,0,0,1|1,0,0]=2 64 B6R0.2 CC(O)CN(C)C SBB060002 [0,0,0,0,0,1|1,1,0]=3 65 B3R0.1 BrCCBr SBB040806 [2,0,0,0,0,0|2,0,0]=4 66 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,0]=3 67 B3R0.1 ClCCCl SBB040805 [2,0,0,0,0,0|2,0,0]=4 68 B3R0.1 NCCBr SBB005857 [2,0,0,0,0,0|2,0,0]=4 69 B3R0.1 NCCCl SBB005775 [2,0,0,0,0,0|2,0,0]=4 70 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,1,0]=4 71 B3R0.1 [NH3+]CCBr SBB060242 [2,0,0,0,0,0|2,0,0]=4 72 B3R0.2 CC(C)Br SBB060452 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.1 CC(C)=CCBr SBB061690 [1,1,0,0,0,0|0,0,2]=4 74 B5R0.1 CC(C)CCBr SBB061181 [1,1,0,0,0,0|0,0,0]=2 75 B5R0.1 CC(C)CCO SBB060162 [1,1,0,0,0,0|0,0,0]=2 76 B5R0.1 CC(C)CNN SBB042741 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.1 CC(C)N=C=O SBB046976 [1,1,0,0,0,0|0,1,1]=4 78 B5R0.1 CC(C)N=C=S SBB056455 [1,1,0,0,0,0|0,0,2]=4 79 B5R0.1 CC(C)SC#N SBB060088 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.1 CN(C)CCBr SBB073020 [1,1,0,0,0,0|1,0,0]=3 81 B5R0.1 CN(C)CCN SBB007533 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.1 CS(=O)CCN SBB050811 [1,1,0,0,0,0|1,1,0]=4 83 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.3 CCC(C)CBr SBB007669 [1,1,0,0,0,0|0,0,0]=2 85 B5R0.3 CCC(Cl)CCl SBB060453 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.3 CCC(N)CC SBB000050 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.3 CCC(N)CC SBB071911 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.3 ClCC(Cl)CCl SBB060982 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.3 OC(CCl)CCl SBB060190 [1,1,0,0,0,0|1,1,0]=4 90 B5R0.3 OCC(O)CCl SBB060480 [1,1,0,0,0,0|1,1,0]=4 91 B5R0.4 CC(C)(C)NO SBB056490 [1,1,0,0,0,0|1,1,0]=4 92 B5R0.4 CC(C)(N)C#N SBB043968 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.4 NNC(C)(C)C SBB005864 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,1,0,0,0,1|0,1,1]=4 95 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,1,0,0,0,1|0,1,1]=4 96 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,1,0,0,0,1|0,1,1]=4 97 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,1,0,0,0,1|0,1,1]=4 98 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,1,0,0,0,1|0,1,1]=4 99 B7R0.2 CC(CO)CN(C)C SBB046544 [0,1,0,0,0,1|1,1,0]=4 100 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,0,0,0,1|0,1,1]=4 101 B7R0.2 CCC(O)CN(C)C SBB061151 [0,1,0,0,0,1|1,1,0]=4 102 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,1,0,0,0,1|1,0,1]=4 103 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,1,0,0,0,1|0,1,1]=4 104 B7R0.9 CC(=O)NC(C)(C)C SBB008192 [0,1,0,0,0,1|0,1,1]=4 105 B7R0.9 CC(C)=CC(C)(C)C SBB060469 [0,1,0,0,0,1|1,0,1]=4 106 B7R0.9 CC(O)CC(C)(C)N SBB084391 [0,1,0,0,0,1|0,1,0]=3 107 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,1,0,0,0,1|0,1,0]=3 108 B7R0.9 N(C(C)C)C(C)(C)C SBB006672 [0,1,0,0,0,1|1,0,0]=3 109 B7R0.16 CC(Br)C(=O)C(C)Br SBB070869 [0,1,0,0,0,1|2,0,0]=4 110 B7R0.5 CC(CCN)N(C)C SBB046536 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.5 CC(CCO)N(C)C SBB046554 [0,2,0,0,0,0|1,1,0]=4 112 B7R0.5 CCCC(C)C(C)O SBB061491 [0,2,0,0,0,0|0,1,0]=3 113 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,2,0,0,0,0|0,1,1]=4 114 B7R0.10 ClCC(Cl)C(Cl)CCl SBB060986 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.10 OCC(Br)C(Br)CO SBB070873 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.13 C#CC(C)(O)C(C)C SBB008720 [0,2,0,0,0,0|0,1,0]=3 118 B7R0.13 CN(C)C(C)(C)CN SBB085384 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [0,2,0,0,0,0|0,1,1]=4 120 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [0,2,0,0,0,0|0,1,1]=4 121 B7R0.14 CCC(O)C(C)(C)C SBB008540 [0,2,0,0,0,0|0,1,0]=3 122 B7R0.14 CNC(=O)C(C)(C)C SBB007942 [0,2,0,0,0,0|0,1,1]=4 123 B7R0.14 C\C(=N/O)C(C)(C)C SBB007770 [0,2,0,0,0,0|0,1,1]=4 124 B7R0.14 C\C(=N/O)C(C)(C)O SBB058302 [0,2,0,0,0,0|0,1,1]=4 125 B7R0.15 COC(OC)C(C)=O SBB060142 [0,2,0,0,0,0|0,1,1]=4 126 B7R0.15 COC(OC)N(C)C SBB056425 [0,2,0,0,0,0|1,1,0]=4 127 B7R0.17 CC(C)(C)C(C)(C)O SBB057393 [0,2,0,0,0,0|0,1,0]=3 128 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl SBB058738 [0,2,0,0,0,0|2,0,0]=4 129 B5R1.2 OC1CNC1 SBB056270 [1,0,0,1,0,0|1,1,0]=4 130 B5R1.3 BrCC1CC1 SBB054967 [1,0,0,1,0,0|1,0,0]=3 131 B5R1.3 NCC1CC1 SBB047771 [1,0,0,1,0,0|1,0,0]=3 132 B5R1.3 OCC1CC1 SBB059473 [1,0,0,1,0,0|0,1,0]=3 133 B7R1.4 BrC1CCCC1Br SBB060684 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.4 ClC1CCCC1Cl SBB060212 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,1,0,0|1,1,0]=4 136 B7R1.4 OC1CCCC1Cl SBB060196 [0,1,0,1,0,0|1,1,0]=4 137 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,1,0,1,0,0|1,1,0]=4 138 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,1,0,1,0,0|0,1,1]=4 139 B7R1.26 CC(C)(O)C1CC1 SBB059210 [0,1,0,1,0,0|0,1,0]=3 140 B7R0.6 CC(C)CCC(C)N SBB008544 [0,0,0,0,0,2|1,0,0]=3 141 B7R0.6 CC(C)CCC(C)O SBB061318 [0,0,0,0,0,2|0,1,0]=3 142 B7R0.6 CC(C)CNC(C)C SBB046539 [0,0,0,0,0,2|1,0,0]=3 143 B7R0.6 CC(O)C#CC(C)O SBB067653 [0,0,0,0,0,2|1,1,0]=4 144 B7R0.6 CC(O)COC(C)C SBB061008 [0,0,0,0,0,2|0,1,0]=3