0 B4R0.1 C=C(Br)CBr SBB061691 [0,0,0,0,0,0|2,1,0]=3 1 B4R0.1 CC(Br)CBr SBB060202 [0,0,0,0,0,0|2,1,1]=4 2 B4R0.1 CC(Br)CCl SBB061477 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(C)CBr SBB059932 [0,0,0,0,0,0|2,1,1]=4 4 B4R0.1 CC(Cl)CCl SBB059979 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 CCC(C)Br SBB059931 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 CCN(C)N SBB107453 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 COC(=N)N SBB067236 [0,0,0,0,0,0|4,0,0]=4 8 B4R0.1 CSC(=N)N SBB080624 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.1 CSC(=N)N SBB095512 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 ClC(Br)CBr SBB059976 [0,0,0,0,0,0|2,1,1]=4 11 B4R0.1 N=C(N)CCl SBB056491 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 NCC(=O)O SBB071447 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 NCC(=O)[O-] SBB116671 [0,0,0,0,0,0|1,0,1]=2 14 B4R0.1 NCC(F)F SBB009831 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 NNC(N)=S SBB040860 [0,0,0,0,0,0|3,1,0]=4 16 B4R0.1 O=C(Br)CBr SBB040828 [0,0,0,0,0,0|1,1,0]=2 17 B4R0.1 O=C(Cl)CBr SBB051682 [0,0,0,0,0,0|1,1,0]=2 18 B4R0.1 O=C(Cl)CCl SBB040859 [0,0,0,0,0,0|1,0,0]=1 19 B4R0.1 O=C(O)CBr SBB053569 [0,0,0,0,0,0|0,1,0]=1 20 B4R0.1 OCC(F)F SBB021966 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 [NH2+]=C(N)SC SBB060409 [0,0,0,0,0,0|4,0,0]=4 22 B4R0.1 [NH3+]NC(=N)N SBB059784 [0,0,0,0,0,0|4,0,0]=4 23 B4R0.1 [NH3+]NC(N)=O SBB060865 [0,0,0,0,0,0|3,0,0]=3 24 B3R0.1 BrCCBr SBB040806 [1,0,0,0,0,0|1,1,1]=4 25 B3R0.1 C=CCBr SBB059929 [1,0,0,0,0,0|1,1,0]=3 26 B3R0.1 CCCBr SBB040931 [1,0,0,0,0,0|1,1,1]=4 27 B3R0.1 C\C=C\Cl SBB059896 [1,0,0,0,0,0|1,0,1]=3 28 B3R0.1 ClCCCl SBB040805 [1,0,0,0,0,0|1,0,1]=3 29 B3R0.1 N#CCBr SBB066988 [1,0,0,0,0,0|1,1,1]=4 30 B3R0.1 N#CCN SBB065784 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 NCCBr SBB005857 [1,0,0,0,0,0|1,1,1]=4 32 B3R0.1 NCCCl SBB005775 [1,0,0,0,0,0|1,0,1]=3 33 B3R0.1 OCCBr SBB058668 [1,0,0,0,0,0|0,1,1]=3 34 B3R0.1 [NH3+]CCBr SBB060242 [1,0,0,0,0,0|1,1,1]=4 35 B3R0.2 CC(C)Br SBB060452 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.2 N=C(N)N SBB065761 [1,0,0,0,0,0|3,0,0]=4 37 B3R0.2 NC(N)=O SBB008449 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 C#CCC(=O)O SBB116169 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.1 CC(=O)CC#N SBB014113 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.1 CC(=O)N=S=O SBB059583 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.1 CC(C)=CCBr SBB061690 [0,1,0,0,0,0|2,1,0]=4 42 B5R0.1 CCCC(=O)Cl SBB040624 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 CCOC(=O)Cl SBB040861 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.1 COCC(=O)O SBB061376 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.1 CS(=O)CCN SBB050811 [0,1,0,0,0,0|3,0,0]=4 46 B5R0.1 CSCC(=O)O SBB053570 [0,1,0,0,0,0|1,0,0]=2 47 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.1 N#CCC(N)=O SBB007540 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.1 N#CCC(N)=S SBB015115 [0,1,0,0,0,0|2,1,0]=4 50 B5R0.1 O=C(O)CCBr SBB065770 [0,1,0,0,0,0|0,1,0]=2 51 B5R0.1 O=C(O)CCCl SBB069140 [0,1,0,0,0,0|0,0,0]=1 52 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,1,0,0,0,0|3,0,0]=4 53 B5R0.3 C#CC(=O)OC SBB049642 [0,1,0,0,0,0|1,0,1]=3 54 B5R0.3 C=C(CCl)CCl SBB061694 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.3 C=CC(Cl)CCl SBB060215 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.3 C=CC(O)CBr SBB007652 [0,1,0,0,0,0|1,1,1]=4 57 B5R0.3 CCC(=O)NN SBB021112 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.3 CCC(Cl)CCl SBB060453 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.3 CC\C(N)=N\O SBB024198 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.3 CNC(=O)CBr SBB080576 [0,1,0,0,0,0|1,1,0]=3 61 B5R0.3 CNC(=O)CCl SBB049936 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.3 COC(=O)CBr SBB056823 [0,1,0,0,0,0|0,1,0]=2 63 B5R0.3 COC(=O)CCl SBB040686 [0,1,0,0,0,0|0,0,0]=1 64 B5R0.3 COC(=O)NN SBB061728 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.3 ClCC(Cl)CCl SBB060982 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.3 N#CC(Cl)CCl SBB067119 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.3 NNC(=O)CO SBB111858 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.3 OC(CCl)CCl SBB060190 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.3 OCC(O)CCl SBB060480 [0,1,0,0,0,0|0,0,2]=3 70 B5R0.3 P(=O)(OC)OC SBB060964 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.4 CCS(=O)(=O)Cl SBB061401 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.4 ClCC(Cl)(Cl)Cl SBB061237 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.4 O=S(=O)(Cl)CCl SBB066601 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,1,0,0,0,0|1,0,0]=2 75 B5R0.5 CC(=O)C(F)F SBB021370 [0,1,0,0,0,0|1,1,0]=3 76 B5R0.5 CC(Br)C(=O)O SBB060286 [0,1,0,0,0,0|0,1,0]=2 77 B5R0.5 CC(Br)C(Cl)Br SBB059977 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.5 CC(C)C(=N)N SBB056456 [0,1,0,0,0,0|3,0,0]=4 80 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,1,0,0,0,0|2,0,0]=3 81 B5R0.5 CC(O)C(=O)O SBB065762 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,1,0,0,0,0|2,0,1]=4 84 B5R1.2 OC1CNC1 SBB056270 [0,0,0,1,0,0|2,0,1]=4 85 B2R0.1 CCBr SBB040912 [2,0,0,0,0,0|0,1,1]=4 86 B2R0.1 ONC SBB005850 [2,0,0,0,0,0|1,0,0]=3 87 B4R0.2 COCCBr SBB007906 [1,1,0,0,0,0|0,1,1]=4 88 B4R0.2 C\C=C\CC SBB059879 [1,1,0,0,0,0|2,0,0]=4 89 B4R0.2 ClCCCBr SBB058669 [1,1,0,0,0,0|1,0,1]=4 90 B4R0.2 ClCCCCl SBB040918 [1,1,0,0,0,0|1,0,1]=4 91 B4R0.2 Cl\C=C/CCl SBB061393 [1,1,0,0,0,0|1,0,0]=3 92 B4R0.2 OCCCBr SBB054750 [1,1,0,0,0,0|0,1,1]=4 93 B4R0.3 O=S(=O)(O)O SBB066031 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.1 C#CC(=O)OCC SBB060344 [0,2,0,0,0,0|1,0,1]=4 95 B6R0.1 C=CC(=O)OCC SBB060348 [0,2,0,0,0,0|1,0,1]=4 96 B6R0.1 CCCC(=O)CC SBB061496 [0,2,0,0,0,0|2,0,0]=4 97 B6R0.1 CCCC(=O)NN SBB028175 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.1 CCCC(=O)OC SBB061104 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.1 CCC\C(N)=N/O SBB028173 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.1 CCNC(=O)CBr SBB051008 [0,2,0,0,0,0|1,1,0]=4 101 B6R0.1 CCNC(=O)CCl SBB008200 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.1 CCOC(=O)CBr SBB060995 [0,2,0,0,0,0|0,1,0]=3 103 B6R0.1 CCOC(=O)CC SBB060312 [0,2,0,0,0,0|1,0,0]=3 104 B6R0.1 CCOC(=O)NN SBB028182 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.1 COC(=O)CC#N SBB059483 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.1 COC(=O)CCBr SBB070709 [0,2,0,0,0,0|0,1,0]=3 107 B6R0.1 COC(=O)CCN SBB071679 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.1 COCC(=O)NN SBB021113 [0,2,0,0,0,0|2,0,0]=4 109 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,2,0,0,0,0|1,0,1]=4 110 B6R0.1 N#CCC(=O)NN SBB028164 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.1 OCNC(=O)CCl SBB004273 [0,2,0,0,0,0|0,0,0]=2 112 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,2,0,0,0,0|1,0,0]=3 113 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.2 CC(=O)CC(C)C SBB060384 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,2,0,0,0,0|1,0,1]=4 117 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,2,0,0,0,0|2,0,0]=4 118 B6R0.2 CC(C)CC(N)=O SBB028167 [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|1,0,0]=3 120 B6R0.2 CN(C)CC(=O)O SBB065779 [0,2,0,0,0,0|1,0,0]=3 121 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,2,0,0,0,0|2,0,0]=4 123 B6R0.2 NC(=O)C[N+](=O)[O-] SBB000037 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,2,0,0,0,0|1,0,0]=3 126 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.3 CC(C)C(=O)NN SBB030401 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.3 CC(C)\C(N)=N/O SBB028172 [0,2,0,0,0,0|2,0,0]=4 130 B6R0.3 CC(CN)C(=O)O SBB061656 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,2,0,0,0,0|0,1,0]=3 133 B6R0.3 CCC(N)C(N)=O SBB017505 [0,2,0,0,0,0|2,0,0]=4 134 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,2,0,0,0,0|1,0,0]=3 137 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.3 COC(=O)C(C)C SBB061111 [0,2,0,0,0,0|1,0,0]=3 139 B6R0.3 COC(=O)C(C)N SBB007634 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.3 COC(=O)C(F)F SBB021971 [0,2,0,0,0,0|0,1,0]=3 141 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,2,0,0,0,0|1,0,1]=4 142 B6R0.3 N#CC(N)C(N)=O SBB001501 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.3 NC(=O)C(N)CO SBB004161 [0,2,0,0,0,0|2,0,0]=4 144 B6R0.3 NC(CO)C(=O)O SBB061655 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.3 NCC(N)C(=O)O SBB060844 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,2,0,0,0,0|1,0,0]=3 147 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,2,0,0,0,0|0,1,0]=3 148 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,2,0,0,0,0|0,1,0]=3 149 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,2,0,0,0,0|0,1,0]=3 150 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,2,0,0,0,0|0,0,0]=2 151 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,2,0,0,0,0|1,0,0]=3 152 B6R0.4 C#CCCC(=O)O SBB009121 [0,2,0,0,0,0|1,0,0]=3 153 B6R0.4 C=CCCC(=O)O SBB061214 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.4 C=CCCC(C)=O SBB009089 [0,2,0,0,0,0|2,0,0]=4 155 B6R0.4 CC(=O)NCCCl SBB008165 [0,2,0,0,0,0|1,0,0]=3 156 B6R0.4 CC(=O)NCCN SBB028176 [0,2,0,0,0,0|2,0,0]=4 157 B6R0.4 CC(=O)NCCO SBB007954 [0,2,0,0,0,0|2,0,0]=4 158 B6R0.4 CC(=O)OCCCl SBB058505 [0,2,0,0,0,0|1,0,0]=3 159 B6R0.4 CCC#CC(C)=O SBB009086 [0,2,0,0,0,0|2,0,0]=4 160 B6R0.4 CCCCC(=O)O SBB053585 [0,2,0,0,0,0|1,0,0]=3 161 B6R0.4 CCCCC(C)=O SBB061262 [0,2,0,0,0,0|2,0,0]=4 162 B6R0.4 CCCCC(N)=O SBB028169 [0,2,0,0,0,0|2,0,0]=4 163 B6R0.4 CCCNC(N)=O SBB028174 [0,2,0,0,0,0|2,0,0]=4 164 B6R0.4 CCCOC(C)=O SBB060305 [0,2,0,0,0,0|2,0,0]=4 165 B6R0.4 CCCOC(N)=O SBB000036 [0,2,0,0,0,0|2,0,0]=4 166 B6R0.4 CCOCC(=O)O SBB069120 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.4 CCSCC(=O)O SBB047288 [0,2,0,0,0,0|1,0,0]=3 168 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,2,0,0,0,0|1,0,0]=3 169 B6R0.4 CNCCC(N)=O SBB080375 [0,2,0,0,0,0|2,0,0]=4 170 B6R0.4 NCCCC(=O)O SBB028179 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,2,0,0,0,0|1,0,0]=3 172 B6R0.4 O=C(O)CCCBr SBB065986 [0,2,0,0,0,0|0,1,0]=3 173 B6R0.5 O=S(=O)(Cl)CCCl SBB048025 [0,2,0,0,0,0|1,0,1]=4 174 B6R0.9 C=CC(CCl)OC SBB061093 [0,2,0,0,0,0|1,0,1]=4 175 B6R0.7 CC(=O)C(C)(C)C SBB060385 [0,2,0,0,0,0|2,0,0]=4 176 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [0,2,0,0,0,0|1,0,0]=3 177 B6R0.7 CC(=O)C(C)(C)N SBB013635 [0,2,0,0,0,0|2,0,0]=4 178 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,2,0,0,0,0|0,1,0]=3 179 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [0,2,0,0,0,0|2,0,0]=4 180 B6R0.7 CC(C)(C)C(N)=O SBB028170 [0,2,0,0,0,0|2,0,0]=4 181 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,2,0,0,0,0|1,0,0]=3 182 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,2,0,0,0,0|1,0,0]=3 183 B6R0.7 NC(=O)C(F)(F)Cl SBB017538 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.7 O=C(Br)C(F)(F)Br SBB098866 [0,2,0,0,0,0|1,1,0]=4 185 B6R0.7 O=C(Br)C(F)(F)Cl SBB091626 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.7 O=C(O)C(Br)(Br)Br SBB065991 [0,2,0,0,0,0|0,1,0]=3 187 B6R1.2 O=C1C=CCO1 SBB040281 [0,1,0,1,0,0|1,0,1]=4 188 B6R1.2 O=C1CCCC1 SBB040835 [0,1,0,1,0,0|2,0,0]=4 189 B6R1.2 O=C1CCCN1 SBB060296 [0,1,0,1,0,0|2,0,0]=4 190 B6R1.2 O=C1CCNN1 SBB007977 [0,1,0,1,0,0|2,0,0]=4 191 B6R1.2 O=C1CCSC1 SBB007947 [0,1,0,1,0,0|1,1,0]=4 192 B6R1.2 OC1=NNCC1 SBB047550 [0,1,0,1,0,0|2,0,0]=4 193 B6R1.11 CC(=O)C1CC1 SBB040825 [0,1,0,1,0,0|2,0,0]=4 194 B6R1.11 NC(=O)C1CC1 SBB008326 [0,1,0,1,0,0|2,0,0]=4 195 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,1,0,1,0,0|2,0,0]=4 196 B6R1.11 O=C(O)C1CC1 SBB008028 [0,1,0,1,0,0|1,0,0]=3 197 B6R1.7 CC1(CCl)CO1 SBB054966 [0,1,0,1,0,0|1,0,1]=4