0 B4R0.1 C=C(Br)CBr SBB061691 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CC(Br)CBr SBB060202 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 CC(Br)CCl SBB061477 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CC(C)CBr SBB059932 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(C)NN SBB002129 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(Cl)CCl SBB059979 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CCC(C)Br SBB059931 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 CCN(C)N SBB107453 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 ClC(Br)CBr SBB059976 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 N#CC(Br)Br SBB069562 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 N=C(N)CCl SBB056491 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 NCC(=O)O SBB071447 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 NCC(=O)[O-] SBB116671 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 NCC(F)F SBB009831 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 O=C(Br)CBr SBB040828 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 O=C(Cl)CBr SBB051682 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 O=C(Cl)CCl SBB040859 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 O=C(O)CBr SBB053569 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 OCC(F)F SBB021966 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.1 BrCCBr SBB040806 [1,0,0,0,0,0|2,0,0]=3 20 B3R0.1 C=CCBr SBB059929 [1,0,0,0,0,0|1,0,2]=4 21 B3R0.1 CCCBr SBB040931 [1,0,0,0,0,0|1,0,0]=2 22 B3R0.1 C\C=C\Cl SBB059896 [1,0,0,0,0,0|1,0,2]=4 23 B3R0.1 ClCCCl SBB040805 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 N#CCBr SBB066988 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 N#CCN SBB065784 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 NCCBr SBB005857 [1,0,0,0,0,0|2,0,0]=3 27 B3R0.1 NCCCl SBB005775 [1,0,0,0,0,0|2,0,0]=3 28 B3R0.1 OCCBr SBB058668 [1,0,0,0,0,0|1,0,0]=2 29 B3R0.1 [NH3+]CCBr SBB060242 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.2 CC(C)Br SBB060452 [1,0,0,0,0,0|1,0,0]=2 31 B3R0.2 FC(F)I SBB089343 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C#CCC(=O)O SBB116169 [0,1,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(=O)CC#N SBB014113 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.1 CC(C)=CCBr SBB061690 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.1 CC(C)CCBr SBB061181 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.1 CC(C)CCO SBB060162 [0,1,0,0,0,0|1,0,0]=2 37 B5R0.1 CC(C)CNN SBB042741 [0,1,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(C)N=C=O SBB046976 [0,1,0,0,0,0|1,0,2]=4 39 B5R0.1 CC(C)N=C=S SBB056455 [0,1,0,0,0,0|1,1,1]=4 40 B5R0.1 CC(C)SC#N SBB060088 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.1 CN(C)CCBr SBB073020 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 CN(C)CCN SBB007533 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.1 COCC(=O)O SBB061376 [0,1,0,0,0,0|1,0,1]=3 44 B5R0.1 CS(=O)CCN SBB050811 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 CSCC(=O)O SBB053570 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 O=C(O)CCBr SBB065770 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 O=C(O)CCCl SBB069140 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.3 C#CC(O)C=C SBB009126 [0,1,0,0,0,0|1,0,2]=4 51 B5R0.3 C=C(CCl)CCl SBB061694 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.3 C=CC(Cl)CCl SBB060215 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.3 C=CC(O)CBr SBB007652 [0,1,0,0,0,0|1,0,1]=3 54 B5R0.3 CCC(C)CBr SBB007669 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.3 CCC(Cl)CCl SBB060453 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.3 CCC(N)CC SBB000050 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.3 CCC(N)CC SBB071911 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.3 CC\C(N)=N\O SBB024198 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.3 CNC(=O)CBr SBB080576 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.3 CNC(=O)CCl SBB049936 [0,1,0,0,0,0|1,0,2]=4 61 B5R0.3 COC(=O)CBr SBB056823 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.3 COC(=O)CCl SBB040686 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.3 ClCC(Cl)CCl SBB060982 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.3 N#CC(Cl)CCl SBB067119 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.3 NNC(=O)CO SBB111858 [0,1,0,0,0,0|1,0,2]=4 66 B5R0.3 OC(CCl)CCl SBB060190 [0,1,0,0,0,0|1,0,0]=2 67 B5R0.3 OCC(O)CCl SBB060480 [0,1,0,0,0,0|0,0,0]=1 68 B5R0.4 CC(C)(C)NO SBB056490 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.4 CC(C)(N)C#N SBB043968 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.4 ClCC(Cl)(Cl)Cl SBB061237 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.4 FC(Cl)(Br)CBr SBB099284 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.4 NNC(C)(C)C SBB005864 [0,1,0,0,0,0|3,0,0]=4 73 B5R0.5 BrC(Br)C(Br)Br SBB060206 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,1,0,0,0,0|1,0,2]=4 75 B5R0.5 CC(=O)C(F)F SBB021370 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.5 CC(Br)C(=O)O SBB060286 [0,1,0,0,0,0|1,0,1]=3 77 B5R0.5 CC(Br)C(Cl)Br SBB059977 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.5 CC(C)C(=N)N SBB056456 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,1,0,0,0,0|1,0,2]=4 81 B5R0.5 CC(O)C(=O)O SBB065762 [0,1,0,0,0,0|0,0,1]=2 82 B5R1.2 OC1CNC1 SBB056270 [0,0,0,1,0,0|1,0,0]=2 83 B5R1.3 BrCC1CC1 SBB054967 [0,0,0,1,0,0|2,0,0]=3 84 B5R1.3 NCC1CC1 SBB047771 [0,0,0,1,0,0|2,0,0]=3 85 B5R1.3 OCC1CC1 SBB059473 [0,0,0,1,0,0|1,0,0]=2 86 B2R0.1 CCBr SBB040912 [2,0,0,0,0,0|1,0,0]=3 87 B2R0.1 ONC SBB005850 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.2 BrCCCBr SBB060203 [1,1,0,0,0,0|1,0,0]=3 89 B4R0.2 CCCCBr SBB059930 [1,1,0,0,0,0|1,0,0]=3 90 B4R0.2 CNCC#N SBB071612 [1,1,0,0,0,0|1,0,1]=4 91 B4R0.2 CNCCI SBB071605 [1,1,0,0,0,0|1,0,0]=3 92 B4R0.2 COCCBr SBB007906 [1,1,0,0,0,0|1,0,0]=3 93 B4R0.2 C\C=C\CC SBB059879 [1,1,0,0,0,0|1,0,1]=4 94 B4R0.2 ClCCCBr SBB058669 [1,1,0,0,0,0|1,0,0]=3 95 B4R0.2 ClCCCCl SBB040918 [1,1,0,0,0,0|1,0,0]=3 96 B4R0.2 OCCCBr SBB054750 [1,1,0,0,0,0|0,0,0]=2 97 B4R0.2 [NH2+](CC)CC SBB059849 [1,1,0,0,0,0|1,0,0]=3 98 B4R0.3 CC(C)(C)Br SBB060197 [1,1,0,0,0,0|1,0,0]=3 99 B4R0.3 C[N+](C)(C)C SBB087926 [1,1,0,0,0,0|2,0,0]=4 100 B4R0.3 O=S(=O)(O)O SBB066031 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.1 C#CC(O)CCC SBB067434 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.1 CCC(C)N=C=S SBB021425 [0,2,0,0,0,0|1,1,0]=4 103 B6R0.1 CCC(O)COC SBB072708 [0,2,0,0,0,0|0,0,0]=2 104 B6R0.1 CCCC(C)CO SBB061282 [0,2,0,0,0,0|1,0,0]=3 105 B6R0.1 CCCC(O)CC SBB061363 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.1 CCNC(C)CO SBB046531 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.1 CNC(C)CCO SBB046542 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.1 CNCC(C)OC SBB049894 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.1 COCC(O)CN SBB051203 [0,2,0,0,0,0|0,0,0]=2 110 B6R0.1 OC(CBr)CCBr SBB007842 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.1 OCNC(=O)CCl SBB004273 [0,2,0,0,0,0|0,0,2]=4 112 B6R0.2 CC(=O)CC(C)C SBB060384 [0,2,0,0,0,0|1,0,1]=4 113 B6R0.2 CC(C)CB(O)O SBB062832 [0,2,0,0,0,0|1,0,0]=3 114 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,2,0,0,0,0|1,0,1]=4 115 B6R0.2 CC(C)CC(C)Br SBB007950 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.2 CC(C)CC(C)O SBB061337 [0,2,0,0,0,0|1,0,0]=3 117 B6R0.2 CC(C)CC(N)=O SBB028167 [0,2,0,0,0,0|1,0,1]=4 118 B6R0.2 CC(C)NC(C)C SBB059763 [0,2,0,0,0,0|2,0,0]=4 119 B6R0.2 CC(O)CC(=O)O SBB065815 [0,2,0,0,0,0|0,0,0]=2 120 B6R0.2 CC(O)CN(C)C SBB060002 [0,2,0,0,0,0|1,0,0]=3 121 B6R0.2 CN(C)CC(=O)O SBB065779 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.3 C#CC(O)C(C)C SBB009138 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.3 CC(C)\C(N)=N/O SBB028172 [0,2,0,0,0,0|1,0,1]=4 126 B6R0.3 CC(CN)C(=O)O SBB061656 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.3 CC(CN)N(C)C SBB043927 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,2,0,0,0,0|0,0,1]=3 129 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,2,0,0,0,0|1,0,1]=4 130 B6R0.3 CCC(C)C(C)C SBB061452 [0,2,0,0,0,0|2,0,0]=4 131 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,2,0,0,0,0|1,0,1]=4 134 B6R0.3 COC(=O)C(C)C SBB061111 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.3 COC(=O)C(C)N SBB007634 [0,2,0,0,0,0|1,0,1]=4 136 B6R0.3 NC(=O)C(N)CO SBB004161 [0,2,0,0,0,0|1,0,1]=4 137 B6R0.3 NC(CO)C(=O)O SBB061655 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.3 NCC(N)C(=O)O SBB060844 [0,2,0,0,0,0|1,0,1]=4 139 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,2,0,0,0,0|0,0,1]=3 140 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,2,0,0,0,0|1,0,1]=4 141 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,2,0,0,0,0|0,0,1]=3 142 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,2,0,0,0,0|1,0,1]=4 143 B6R0.4 C=COCC(C)C SBB060157 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.4 CC(=O)NCCO SBB007954 [0,2,0,0,0,0|0,0,2]=4 145 B6R0.4 CC(C)CN=C=S SBB017613 [0,2,0,0,0,0|1,1,0]=4 146 B6R0.4 CC(C)COC=O SBB061244 [0,2,0,0,0,0|1,0,0]=3 147 B6R0.4 CC(C)NCCN SBB048119 [0,2,0,0,0,0|2,0,0]=4 148 B6R0.4 CC(C)NCCO SBB056428 [0,2,0,0,0,0|1,0,0]=3 149 B6R0.4 CC(C)OCCN SBB301616 [0,2,0,0,0,0|2,0,0]=4 150 B6R0.4 CCC#CC(C)O SBB067141 [0,2,0,0,0,0|1,0,0]=3 151 B6R0.4 CCCCC(C)O SBB061290 [0,2,0,0,0,0|1,0,0]=3 152 B6R0.4 CCOCC(=O)O SBB069120 [0,2,0,0,0,0|1,0,1]=4 153 B6R0.4 CCOCC(C)O SBB061006 [0,2,0,0,0,0|0,0,0]=2 154 B6R0.5 CC#CC(C)(C)O SBB009136 [0,2,0,0,0,0|1,0,1]=4 155 B6R0.5 CC(C)(C)CCCl SBB059953 [0,2,0,0,0,0|2,0,0]=4 156 B6R0.5 CC(C)(C)CCN SBB059532 [0,2,0,0,0,0|2,0,0]=4 157 B6R0.5 CCCC(C)(C)N SBB052122 [0,2,0,0,0,0|2,0,0]=4 158 B6R0.5 CCNC(C)(C)C SBB052124 [0,2,0,0,0,0|2,0,0]=4 159 B6R0.5 C[N+](C)(C)CCO SBB060960 [0,2,0,0,0,0|2,0,0]=4 160 B6R0.8 C#CC(C)(C)OC SBB014168 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.8 C#CC(C)(N)CC SBB001893 [0,2,0,0,0,0|2,0,0]=4 162 B6R0.8 C#CC(C)(O)CC SBB002148 [0,2,0,0,0,0|1,0,0]=3 163 B6R0.8 CC(C)(CN)CN SBB061381 [0,2,0,0,0,0|2,0,0]=4 164 B6R0.8 CC(C)(CN)CO SBB028181 [0,2,0,0,0,0|1,0,0]=3 165 B6R0.8 CC(C)(CO)CO SBB056814 [0,2,0,0,0,0|0,0,0]=2 166 B6R0.8 CCC(C)(O)CC SBB060948 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.8 OCC(C)(CO)N SBB004360 [0,2,0,0,0,0|0,0,0]=2 168 B6R0.9 C=CC(CCl)OC SBB061093 [0,2,0,0,0,0|1,0,1]=4 169 B6R0.9 CCC(C=O)CC SBB059875 [0,2,0,0,0,0|1,0,1]=4 170 B6R0.9 CCC(CC)CBr SBB059935 [0,2,0,0,0,0|2,0,0]=4 171 B6R0.9 CCC(CC)CN SBB028171 [0,2,0,0,0,0|2,0,0]=4 172 B6R0.9 CCC(CC)CO SBB059900 [0,2,0,0,0,0|1,0,0]=3 173 B6R0.9 CCC(CN)OC SBB302370 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.9 COC(OC)OC SBB060299 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,2,0,0,0,0|1,0,1]=4 177 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,2,0,0,0,0|0,0,1]=3 178 B6R0.7 NC(C)C(C)(C)C SBB005830 [0,2,0,0,0,0|2,0,0]=4 179 B6R1.2 BrC1CCCC1 SBB040823 [0,1,0,1,0,0|2,0,0]=4 180 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,1,0,1,0,0|2,0,0]=4 181 B6R1.2 N1CCC(N)C1 SBB027337 [0,1,0,1,0,0|2,0,0]=4 182 B6R1.2 NC1CCCC1 SBB040467 [0,1,0,1,0,0|2,0,0]=4 183 B6R1.2 NC1CCNC1 SBB003982 [0,1,0,1,0,0|2,0,0]=4 184 B6R1.2 OC1CCNC1 SBB056152 [0,1,0,1,0,0|1,0,0]=3 185 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,1,0,1,0,0|1,0,0]=3 186 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,1,0,1,0,0|1,0,0]=3 187 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,1,0,1,0,0|0,0,0]=2 188 B6R1.9 NC1CC1(F)F SBB085744 [0,1,0,1,0,0|2,0,0]=4 189 B6R1.10 CC1(N)CCC1 SBB072407 [0,1,0,1,0,0|2,0,0]=4 190 B6R1.11 CC(N)C1CC1 SBB027096 [0,1,0,1,0,0|2,0,0]=4 191 B6R1.11 O=C(O)C1CC1 SBB008028 [0,1,0,1,0,0|1,0,1]=4 192 B6R1.6 BrCC1CCC1 SBB054975 [0,1,0,1,0,0|2,0,0]=4 193 B6R1.6 NCC1CCC1 SBB108847 [0,1,0,1,0,0|2,0,0]=4 194 B6R1.7 CC1(CCl)CO1 SBB054966 [0,1,0,1,0,0|1,0,0]=3 195 B6R1.7 CC1(CO)CC1 SBB084505 [0,1,0,1,0,0|1,0,0]=3