0 B4R0.1 C=C(Br)CBr SBB061691 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 CC(Br)CBr SBB060202 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CC(Br)CCl SBB061477 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CC(C)CBr SBB059932 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(C)NN SBB002129 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(Cl)CCl SBB059979 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 CCC(C)Br SBB059931 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CCN(C)N SBB107453 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 COC(=N)N SBB067236 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CSC(=N)N SBB080624 [0,0,0,0,0,0|2,1,0]=3 10 B4R0.1 CSC(=N)N SBB095512 [0,0,0,0,0,0|2,1,0]=3 11 B4R0.1 N=C(N)CCl SBB056491 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.1 NCC(=O)O SBB071447 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 NCC(=O)[O-] SBB116671 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 NNC(N)=S SBB040860 [0,0,0,0,0,0|3,1,0]=4 15 B4R0.1 O=C(Br)CBr SBB040828 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 O=C(Cl)CBr SBB051682 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 O=C(Cl)CCl SBB040859 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 O=C(O)CBr SBB053569 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 [NH2+]=C(N)SC SBB060409 [0,0,0,0,0,0|2,1,0]=3 20 B4R0.1 [NH3+]NC(=N)N SBB059784 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 [NH3+]NC(N)=O SBB060865 [0,0,0,0,0,0|3,0,0]=3 22 B3R0.1 C=CCBr SBB059929 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 CCCBr SBB040931 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 C\C=C\Cl SBB059896 [1,0,0,0,0,0|2,0,0]=3 25 B3R0.2 CC(C)Br SBB060452 [1,0,0,0,0,0|1,0,1]=3 26 B3R0.2 N=C(N)N SBB065761 [1,0,0,0,0,0|3,0,0]=4 27 B3R0.2 NC(N)=O SBB008449 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 C#CCC(=O)O SBB116169 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(=O)CC#N SBB014113 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.1 CC(=O)N=S=O SBB059583 [0,1,0,0,0,0|1,1,0]=3 31 B5R0.1 CC(C)=CCBr SBB061690 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.1 CC(C)CCBr SBB061181 [0,1,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(C)CCO SBB060162 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.1 CCCC(=O)Cl SBB040624 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.1 CCOC(=O)Cl SBB040861 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.1 CN(C)CCBr SBB073020 [0,1,0,0,0,0|3,0,0]=4 37 B5R0.1 CN(C)CCN SBB007533 [0,1,0,0,0,0|3,0,0]=4 38 B5R0.1 COCC(=O)O SBB061376 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.1 CS(=O)CCN SBB050811 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.1 CSCC(=O)O SBB053570 [0,1,0,0,0,0|1,1,0]=3 41 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.1 C\C(N)=C\C#N SBB002655 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.1 N#CCC(N)=O SBB007540 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.1 O=C(O)CCBr SBB065770 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 O=C(O)CCCl SBB069140 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,1,0,0,0,0|3,0,0]=4 47 B5R0.3 C#CC(=O)OC SBB049642 [0,1,0,0,0,0|0,0,1]=2 48 B5R0.3 C=C(CCl)CCl SBB061694 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.3 CCC(=O)NN SBB021112 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.3 CCC(C)CBr SBB007669 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.3 CCC(Cl)CCl SBB060453 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.3 CCC(N)CC SBB000050 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.3 CCC(N)CC SBB071911 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.3 CC\C(N)=N\O SBB024198 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.3 CNC(=N)NN SBB056467 [0,1,0,0,0,0|3,0,0]=4 56 B5R0.3 CNC(=O)CBr SBB080576 [0,1,0,0,0,0|1,0,0]=2 57 B5R0.3 CNC(=O)CCl SBB049936 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.3 CNC(=S)NC SBB060411 [0,1,0,0,0,0|1,1,0]=3 59 B5R0.3 CNC(=S)NN SBB028184 [0,1,0,0,0,0|2,1,0]=4 60 B5R0.3 COC(=O)CBr SBB056823 [0,1,0,0,0,0|0,0,0]=1 61 B5R0.3 COC(=O)CCl SBB040686 [0,1,0,0,0,0|0,0,0]=1 62 B5R0.3 COC(=O)NN SBB061728 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.3 CS\C(N)=N/N SBB098045 [0,1,0,0,0,0|2,1,0]=4 64 B5R0.3 NNC(=O)CO SBB111858 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.3 P(=O)(OC)OC SBB060964 [0,1,0,0,0,0|1,0,0]=2 66 B5R0.3 [NH2+]=C(NN)SC SBB072632 [0,1,0,0,0,0|2,1,0]=4 67 B5R0.4 CCS(=O)(=O)Cl SBB061401 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.4 COS(C)(=O)=O SBB058203 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.5 CC(=O)C(F)F SBB021370 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.5 CC(=S)N(C)C SBB007924 [0,1,0,0,0,0|1,1,0]=3 72 B5R0.5 CC(Br)C(=O)O SBB060286 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.5 CC(C)C(=N)N SBB056456 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.5 CC(O)C(=O)O SBB065762 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.5 CN(C)C(=S)Cl SBB085540 [0,1,0,0,0,0|2,1,0]=4 79 B5R0.5 CN(N)C(N)=S SBB066591 [0,1,0,0,0,0|2,1,0]=4 80 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [0,1,0,0,0,0|3,0,0]=4 81 B2R0.1 CCBr SBB040912 [2,0,0,0,0,0|1,0,1]=4 82 B2R0.1 ONC SBB005850 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.2 CCCCBr SBB059930 [1,1,0,0,0,0|1,0,1]=4 84 B4R0.2 CNCCI SBB071605 [1,1,0,0,0,0|1,0,1]=4 85 B4R0.2 COCCBr SBB007906 [1,1,0,0,0,0|0,0,1]=3 86 B4R0.2 C\C=C\CC SBB059879 [1,1,0,0,0,0|1,0,0]=3 87 B4R0.2 Cl\C=C/CCl SBB061393 [1,1,0,0,0,0|2,0,0]=4 88 B4R0.2 [NH2+](CC)CC SBB059849 [1,1,0,0,0,0|1,0,1]=4 89 B4R0.3 CC(C)(C)Br SBB060197 [1,1,0,0,0,0|1,0,1]=4 90 B4R0.3 C[N+](C)(C)C SBB087926 [1,1,0,0,0,0|2,0,0]=4 91 B4R0.3 O=S(=O)(O)O SBB066031 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.1 C#CC(=O)OCC SBB060344 [0,2,0,0,0,0|0,0,1]=3 93 B6R0.1 C=CC(=O)OCC SBB060348 [0,2,0,0,0,0|0,0,1]=3 94 B6R0.1 CCC(O)COC SBB072708 [0,2,0,0,0,0|0,0,2]=4 95 B6R0.1 CCCC(=O)CC SBB061496 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.1 CCCC(=O)NN SBB028175 [0,2,0,0,0,0|2,0,0]=4 97 B6R0.1 CCCC(=O)OC SBB061104 [0,2,0,0,0,0|0,0,0]=2 98 B6R0.1 CCNC(=O)CBr SBB051008 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.1 CCNC(=O)CCl SBB008200 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.1 CCOC(=O)CBr SBB060995 [0,2,0,0,0,0|0,0,0]=2 101 B6R0.1 CCOC(=O)CC SBB060312 [0,2,0,0,0,0|0,0,0]=2 102 B6R0.1 CCOC(=O)NN SBB028182 [0,2,0,0,0,0|1,0,0]=3 103 B6R0.1 CNCC(C)OC SBB049894 [0,2,0,0,0,0|1,0,1]=4 104 B6R0.1 COC(=O)CC#N SBB059483 [0,2,0,0,0,0|0,0,0]=2 105 B6R0.1 COC(=O)CCBr SBB070709 [0,2,0,0,0,0|0,0,0]=2 106 B6R0.1 COC(=O)CCN SBB071679 [0,2,0,0,0,0|0,0,0]=2 107 B6R0.1 COCC(=O)NN SBB021113 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.1 COCC(O)CN SBB051203 [0,2,0,0,0,0|0,0,2]=4 109 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,2,0,0,0,0|0,0,0]=2 110 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|1,0,0]=3 112 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,2,0,0,0,0|0,0,0]=2 113 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,2,0,0,0,0|0,0,0]=2 114 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.2 CC(=O)CC(C)C SBB060384 [0,2,0,0,0,0|1,0,0]=3 117 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,2,0,0,0,0|1,0,1]=4 118 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,2,0,0,0,0|1,0,0]=3 120 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.2 CC(C)CC(N)=O SBB028167 [0,2,0,0,0,0|2,0,0]=4 123 B6R0.2 CC(O)CC(=O)O SBB065815 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.2 CN(C)CC(=O)O SBB065779 [0,2,0,0,0,0|2,0,0]=4 125 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,2,0,0,0,0|2,0,0]=4 126 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,2,0,0,0,0|0,0,0]=2 127 B6R0.3 C=CC(=O)N(C)C SBB008330 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [0,2,0,0,0,0|1,0,0]=3 129 B6R0.3 CC(C)C(=O)NN SBB030401 [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|2,0,0]=4 131 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,2,0,0,0,0|1,0,0]=3 132 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,2,0,0,0,0|2,0,0]=4 133 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|2,0,0]=4 135 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|1,0,1]=4 137 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,2,0,0,0,0|1,0,1]=4 138 B6R0.3 COC(=O)C(C)C SBB061111 [0,2,0,0,0,0|0,0,0]=2 139 B6R0.3 COC(=O)C(C)N SBB007634 [0,2,0,0,0,0|0,0,0]=2 140 B6R0.3 COC(=O)C(F)F SBB021971 [0,2,0,0,0,0|0,0,0]=2 141 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,2,0,0,0,0|1,0,0]=3 142 B6R0.3 NC(=O)C(N)CO SBB004161 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.3 NC(CO)C(=O)O SBB061655 [0,2,0,0,0,0|2,0,0]=4 144 B6R0.3 NCC(N)C(=O)O SBB060844 [0,2,0,0,0,0|2,0,0]=4 145 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,2,0,0,0,0|2,0,0]=4 146 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,2,0,0,0,0|2,0,0]=4 147 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,2,0,0,0,0|2,0,0]=4 148 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,2,0,0,0,0|2,0,0]=4 149 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,2,0,0,0,0|2,0,0]=4 150 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,2,0,0,0,0|2,0,0]=4 151 B6R0.4 C#CCCC(=O)O SBB009121 [0,2,0,0,0,0|2,0,0]=4 152 B6R0.4 C=CCCC(=O)O SBB061214 [0,2,0,0,0,0|2,0,0]=4 153 B6R0.4 C=CCCC(C)=O SBB009089 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.4 CC(=O)NCCCl SBB008165 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.4 CC(=O)NCCN SBB028176 [0,2,0,0,0,0|1,0,0]=3 156 B6R0.4 CC(=O)NCCO SBB007954 [0,2,0,0,0,0|1,0,0]=3 157 B6R0.4 CC(=O)OCCCl SBB058505 [0,2,0,0,0,0|0,0,0]=2 158 B6R0.4 CC(C)OCCN SBB301616 [0,2,0,0,0,0|1,0,1]=4 159 B6R0.4 CCC#CC(C)=O SBB009086 [0,2,0,0,0,0|1,0,0]=3 160 B6R0.4 CCCCC(=O)O SBB053585 [0,2,0,0,0,0|2,0,0]=4 161 B6R0.4 CCCCC(C)=O SBB061262 [0,2,0,0,0,0|1,0,0]=3 162 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|0,0,0]=2 165 B6R0.4 CCCOC(N)=O SBB000036 [0,2,0,0,0,0|1,0,0]=3 166 B6R0.4 CCOCC(=O)O SBB069120 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.4 CCOCC(C)O SBB061006 [0,2,0,0,0,0|0,0,2]=4 168 B6R0.4 CCSCC(=O)O SBB047288 [0,2,0,0,0,0|1,1,0]=4 169 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,2,0,0,0,0|2,0,0]=4 170 B6R0.4 CNCCC(N)=O SBB080375 [0,2,0,0,0,0|2,0,0]=4 171 B6R0.4 NCCCC(=O)O SBB028179 [0,2,0,0,0,0|2,0,0]=4 172 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,2,0,0,0,0|2,0,0]=4 173 B6R0.4 O=C(O)CCCBr SBB065986 [0,2,0,0,0,0|2,0,0]=4 174 B6R0.5 CCOS(C)(=O)=O SBB058685 [0,2,0,0,0,0|1,0,0]=3 175 B6R0.5 CS(=O)(=O)CCN SBB047603 [0,2,0,0,0,0|2,0,0]=4 176 B6R0.8 C#CC(C)(C)OC SBB014168 [0,2,0,0,0,0|1,0,1]=4 177 B6R0.9 C=CC(CCl)OC SBB061093 [0,2,0,0,0,0|1,0,1]=4 178 B6R0.9 CC=C(CC)CC SBB059883 [0,2,0,0,0,0|2,0,0]=4 179 B6R0.9 CCC(C=O)CC SBB059875 [0,2,0,0,0,0|1,0,1]=4 180 B6R0.9 CCC(CN)OC SBB302370 [0,2,0,0,0,0|1,0,1]=4 181 B6R0.9 CCN(C=O)CC SBB056822 [0,2,0,0,0,0|2,0,0]=4 182 B6R0.9 COC(OC)OC SBB060299 [0,2,0,0,0,0|0,0,2]=4 183 B6R0.7 CC(=O)C(C)(C)C SBB060385 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.7 CC(=O)C(C)(C)N SBB013635 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,2,0,0,0,0|2,0,0]=4 187 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [0,2,0,0,0,0|2,0,0]=4 188 B6R0.7 CC(C)(C)C(N)=O SBB028170 [0,2,0,0,0,0|2,0,0]=4 189 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,2,0,0,0,0|2,0,0]=4 191 B6R0.7 CN(C)S(C)(=O)=O SBB007962 [0,2,0,0,0,0|2,0,0]=4 192 B6R1.2 CC1=CON=C1 SBB025727 [0,1,0,1,0,0|2,0,0]=4 193 B6R1.2 CC1=NCCN1 SBB040067 [0,1,0,1,0,0|2,0,0]=4 194 B6R1.2 NC1=NCCN1 SBB300496 [0,1,0,1,0,0|2,0,0]=4 195 B6R1.2 NC1=NCCS1 SBB004361 [0,1,0,1,0,0|1,1,0]=4 196 B6R1.2 O=C1C=CCO1 SBB040281 [0,1,0,1,0,0|0,0,1]=3 197 B6R1.2 O=C1CCCC1 SBB040835 [0,1,0,1,0,0|1,0,0]=3 198 B6R1.2 O=C1CCCN1 SBB060296 [0,1,0,1,0,0|1,0,0]=3 199 B6R1.2 O=C1CCNN1 SBB007977 [0,1,0,1,0,0|1,0,0]=3 200 B6R1.2 O=C1CCSC1 SBB007947 [0,1,0,1,0,0|0,1,0]=3 201 B6R1.2 OC1=NNCC1 SBB047550 [0,1,0,1,0,0|1,0,1]=4 202 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,1,0,1,0,0|0,0,2]=4 203 B6R1.2 S=C1NCCN1 SBB004362 [0,1,0,1,0,0|1,1,0]=4 204 B6R1.2 SC1=NCCS1 SBB004290 [0,1,0,1,0,0|0,2,0]=4 205 B6R1.11 CC(=O)C1CC1 SBB040825 [0,1,0,1,0,0|1,0,0]=3 206 B6R1.11 NC(=O)C1CC1 SBB008326 [0,1,0,1,0,0|2,0,0]=4 207 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,1,0,1,0,0|2,0,0]=4 208 B6R1.11 O=C(O)C1CC1 SBB008028 [0,1,0,1,0,0|2,0,0]=4 209 B6R1.7 CC1(CCl)CO1 SBB054966 [0,1,0,1,0,0|1,0,1]=4