0 B11R1.17 C=CCOC1=C(O)C=CC=C1 HR119825 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.17 CC1=C(CN=C=O)C=CC=C1 HR101074 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.17 CC1=C(OCC#N)C=CC=C1 HR148617 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.17 CCCCC1=NC=NC=C1Br HR107585 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.17 CCCOC1=C(O)C=CC=C1 HR13203 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.17 COCOC1=C(Br)C=CC=C1 HR155395 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.17 COCOC1=C(C)C=CC=C1 HR155307 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.17 COCOC1=C(Cl)C=CC=C1 HR153451 [0,0,0,0,0,0|2,1,0]=3 8 B11R1.17 COCOC1=C(F)C=CC=C1 HR155389 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.17 ClCCOC1=C(Br)C=CC=C1 HR153430 [0,0,0,0,0,0|3,1,0]=4 10 B11R1.17 NCCCN1C=CC=CC1=O HR118226 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.17 O=CCCC1=C(F)C=CC=C1 HR110759 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 HR140837 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.17 OCCCC1=C(Br)C=CC=C1 HR116391 [0,0,0,0,0,0|2,1,0]=3 14 B11R1.17 OCCOC1=C(O)C=CC=C1 HR108321 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.4 C=CCC1=C(O)C=CC=C1 HR126976 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.4 CC1=C(CC#N)C=CC=C1 HR124471 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.4 CC1=C(CCO)C=CC=C1 HR139957 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.4 CCCC1=C(C)C=CN=C1 HR152912 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.4 CCCC1=C(N)C=CC=C1 HR101743 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.4 CCCC1=NC=NC=C1Br HR107265 [1,0,0,0,0,0|2,1,0]=4 21 B10R1.4 CCNC1=CC=CC=C1C HR132311 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.4 CCOC1=C(Br)C=CC=C1 HR3136 [1,0,0,0,0,0|1,1,0]=3 23 B10R1.4 CCOC1=C(Br)C=NC=C1 HR33456 [1,0,0,0,0,0|2,1,0]=4 24 B10R1.4 CCOC1=C(Cl)C=CC=C1 HR143151 [1,0,0,0,0,0|1,1,0]=3 25 B10R1.4 CCOC1=C(F)C=CC=C1 HR153838 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.4 CCOC1=C(N)C=CN=C1 HR32244 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.4 CCOC1=C(O)C=CC=C1 HR134039 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.4 CCOC1=CC=CN=C1C HR33539 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.4 CCOC1=CC=CN=C1F HR152949 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.4 CCOC1=NC=CC=C1Br HR109498 [1,0,0,0,0,0|2,1,0]=4 31 B10R1.4 CCOC1=NC=CC=C1Cl HR155974 [1,0,0,0,0,0|2,1,0]=4 32 B10R1.4 CCSC1=C(Br)C=CC=C1 HR140258 [1,0,0,0,0,0|1,1,0]=3 33 B10R1.4 CNCC1=C(F)C=CC=C1 HR147096 [1,0,0,0,0,0|0,0,0]=1 34 B10R1.4 COCC1=C(Br)C=CC=C1 HR33821 [1,0,0,0,0,0|1,1,0]=3 35 B10R1.4 Cc1ccccc1C[Mg]Cl HR112736 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.4 Cc1ccccc1C[Mg]Cl HR113366 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.4 ClCOC1=C(Cl)C=CC=C1 HR113890 [1,0,0,0,0,0|2,1,0]=4 38 B10R1.4 FC1=C(CCBr)C=CC=C1 HR100145 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.4 FC1=C(N=C=S)C=CC=C1 HR145007 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.4 N#CCC1=C(Br)C=CC=C1 HR146633 [1,0,0,0,0,0|0,1,2]=4 41 B10R1.4 N#CCC1=C(Cl)C=CC=C1 HR132033 [1,0,0,0,0,0|0,1,2]=4 42 B10R1.4 N#CCC1=C(F)C=CC=C1 HR100159 [1,0,0,0,0,0|0,0,2]=3 43 B10R1.4 N#CCC1=C(I)C=CC=C1 HR139297 [1,0,0,0,0,0|0,1,2]=4 44 B10R1.4 N#CCC1=C(N)C=CC=C1 HR137659 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.4 NC1=C(CCBr)C=CC=C1 HR135387 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.4 NCCC1=C(Br)C=CC=C1 HR124317 [1,0,0,0,0,0|0,1,0]=2 47 B10R1.4 NCCC1=C(Br)C=CC=C1 HR147094 [1,0,0,0,0,0|0,1,0]=2 48 B10R1.4 NCCC1=C(Cl)C=CC=C1 HR123339 [1,0,0,0,0,0|0,1,0]=2 49 B10R1.4 NCCC1=C(F)C=CC=C1 HR110592 [1,0,0,0,0,0|0,0,0]=1 50 B10R1.4 NCCC1=C(N)C=CC=C1 HR115501 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.4 NCCC1=C(O)C=CC=C1 HR101392 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.4 NCCN1C=CC=CC1=O HR118539 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.4 NNCC1=C(F)C=CC=C1 HR147095 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.4 NNCc1ccccc1F HR34116 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.4 NOCC1=C(Br)C=CC=C1 HR107384 [1,0,0,0,0,0|1,1,0]=3 56 B10R1.4 NOCC1=C(Cl)C=CC=C1 HR108104 [1,0,0,0,0,0|1,1,0]=3 57 B10R1.4 NOCC1=C(F)C=CC=C1 HR107789 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.4 NOCC1=C(I)C=CC=C1 HR103931 [1,0,0,0,0,0|1,1,0]=3 59 B10R1.4 Nc1ccccc1CCO HR137411 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.4 O=C1C=CC=CN1CCCl HR112700 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.4 O=C=NC1=C(F)C=CC=C1 HR114635 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.4 OCCC1=C(Br)C=CC=C1 HR112238 [1,0,0,0,0,0|1,1,0]=3 63 B10R1.4 OCCC1=C(Cl)C=CC=C1 HR139862 [1,0,0,0,0,0|1,1,0]=3 64 B10R1.4 OCCC1=C(F)C=CC=C1 HR108864 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.4 OCCC1=C(O)C=CC=C1 HR135654 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.4 O\N=C\C1=C(F)C=CC=C1 HR144152 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.17 BrCCCC1=CC=CC=C1 HR106413 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 BrCCOC1=CC=CC=C1 HR153436 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 BrCCOC1=CC=CC=C1 HR3152 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.17 C=CCNC1=CC=CC=C1 HR143241 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.17 C=CCOC1=CC=CC=C1 HR135359 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 CCCCC1=NC=CC=C1 HR130041 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.17 CCCCC1=NC=CN=C1 HR117547 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 CCCC[N+]1=CC=CC=C1 HR129252 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.17 CCCC[N+]1=CC=CC=C1 HR133271 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.17 CCCC[n+]1ccccc1 HR102811 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 CCCC[n+]1ccccc1 HR113588 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.17 CCCNC1=CC=CC=C1 HR129739 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.17 CCCOC1=CC=CC=C1 HR112246 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.17 CCNCC1=CC=CC=C1 HR126061 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.17 CCNCC1=CC=CN=C1 HR144925 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.17 CCNCC1=CC=NC=C1 HR123024 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 CCOCC1=CC=CC=C1 HR135944 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.17 CNCCC1=CC=NC=C1 HR145120 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.17 CNCCc1ccccc1 HR117849 [1,0,0,0,0,0|0,0,0]=1 86 B10R1.17 CNCCc1ccccn1 HR108850 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.17 CNCCc1ccccn1 HR138471 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.17 CNCCc1ccccn1 HR138733 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.17 COCCC1=CC=CC=C1 HR133177 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.17 CSSCC1=CC=CC=C1 HR127315 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.17 ClCCCC1=CC=CC=C1 HR126996 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.17 ClCCOC1=CC=CC=C1 HR138715 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.17 ClCCSC1=CC=CC=C1 HR140822 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 HR118419 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.17 N#CCCC1=CC=CC=C1 HR100817 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.17 N#CCCC1=CC=NC=C1 HR131271 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.17 N#CCNc1ccccc1 HR125236 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.17 N#CCSC1=CC=CC=C1 HR143162 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.17 NCCCC1=CC=CC=C1 HR143725 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.17 NCCCC1=NC=CC=C1 HR110635 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.17 NCCNC1=CC=CC=C1 HR124669 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.17 NCCOC1=CC=CC=C1 HR138452 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.17 NNCCC1=CC=CC=C1 HR100277 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.17 O=C=NCC1=CC=CC=C1 HR134544 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.17 O=CCCc1ccccc1 ECCQ01303 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.17 O=COCC1=CC=CC=C1 HR141973 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.17 OCCCC1=CC=CC=C1 HR132460 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.17 OCCCC1=CC=NC=C1 HR135105 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.17 OCCCc1ccccn1 HR136000 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.17 OCCNC1=CC=CC=C1 HR138206 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.17 OCCOC1=CC=CC=C1 HR135852 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.17 OCCSC1=CC=CC=C1 HR133868 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.17 OCOCC1=CC=CC=C1 HR100600 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.17 S=C=NCC1=CC=CC=C1 HR145083 [1,0,0,0,0,0|3,0,0]=4 115 B12R1.25 CCCOC1=CC=CC(F)=C1F HR116833 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.25 COCOC1=CC=CC(Br)=C1O HR32777 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.25 COCOC1=CC=CC(Cl)=C1F HR155500 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.25 COCOC1=CC=CC(F)=C1Br HR155317 [0,1,0,0,0,0|2,1,0]=4 119 B12R1.25 COCOC1=CC=CC(F)=C1F HR155348 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 HR33193 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.69 CCCOC1=C(Br)C=C(F)C=C1 HR153750 [0,1,0,0,0,0|2,1,0]=4 122 B12R1.69 CCCOC1=C(Cl)C=C(Br)C=C1 HR153847 [0,1,0,0,0,0|2,1,0]=4 123 B12R1.69 CCCOC1=C(F)C=C(Br)C=C1 HR153482 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.69 CCCOC1=C(F)C=C(F)C=C1 HR153852 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.69 CCNCC1=C(Cl)C=C(Cl)C=C1 HR116271 [0,1,0,0,0,0|2,1,0]=4 126 B12R1.69 CN\C=N\c1ccc(C)cc1C HR139831 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.69 COCOC1=C(Br)C=C(Br)C=C1 HR155335 [0,1,0,0,0,0|2,1,0]=4 128 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 HR155385 [0,1,0,0,0,0|2,1,0]=4 129 B12R1.69 COCOC1=C(Br)C=C(F)C=C1 HR155364 [0,1,0,0,0,0|2,1,0]=4 130 B12R1.69 COCOC1=C(C)C=C(Br)C=C1 HR155312 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.69 COCOC1=C(Cl)C=C(Br)C=C1 HR155349 [0,1,0,0,0,0|2,1,0]=4 132 B12R1.69 COCOC1=C(Cl)C=C(F)C=C1 HR155370 [0,1,0,0,0,0|2,1,0]=4 133 B12R1.69 COCOC1=C(F)C=C(Br)C=C1 HR155386 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.69 COCOC1=C(F)C=C(Cl)C=C1 HR155378 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.69 COCOC1=C(F)C=C(F)C=C1 HR155379 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.69 CO\N=C\C1=C(F)C=C(F)C=C1 HR154446 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.121 COCOC1=C(OC)C=CC=C1 HR155304 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 HR120291 [0,1,0,0,0,0|2,1,0]=4 139 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 HR117889 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.125 O=C(Cl)CCC1=C(F)C=CC=C1 HR100901 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 HR131976 [0,1,0,0,0,0|2,1,0]=4 142 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 HR138907 [0,1,0,0,0,0|2,1,0]=4 143 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 HR125640 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 HR101173 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.267 CCCCNC1=CC=CC=C1N HR107257 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.267 CCCCOC1=C(Br)C=CC=C1 HR153850 [0,1,0,0,0,0|1,1,0]=3 147 B12R1.267 N#CCCNC1=C(Cl)C=CC=C1 HR123860 [0,1,0,0,0,0|2,1,0]=4 148 B12R1.308 CCCC(=O)c1ccccc1O HR131433 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 HR131948 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.308 N#CCC(=O)C1=C(F)C=CC=C1 HR120267 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 HR116625 [0,1,0,0,0,0|1,1,1]=4 152 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 HR143840 [0,1,0,0,0,0|1,1,1]=4 153 B12R1.374 CCCOC1=C(Br)C=CC(F)=C1 HR154500 [0,1,0,0,0,0|2,1,0]=4 154 B12R1.374 COCOC1=C(Br)C=CC(F)=C1 HR155353 [0,1,0,0,0,0|2,1,0]=4 155 B12R1.374 COCOC1=C(C)C=CC(Br)=C1 HR156680 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.374 COCOC1=C(C)C=CC(F)=C1 HR156646 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.374 COCOC1=C(F)C=CC(Br)=C1 HR153768 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.374 COCOC1=C(F)C=CC(F)=C1 HR155311 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.374 CO\N=C\C1=C(F)C=CC(Br)=C1 HR154447 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.1631 COCOC1=C(Br)C=CC=C1Br HR155368 [0,1,0,0,0,0|2,1,0]=4 161 B12R1.1631 COCOC1=C(Br)C=CC=C1F HR155367 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.1631 COCOC1=C(Cl)C=CC=C1Cl HR155326 [0,1,0,0,0,0|2,1,0]=4 163 B12R1.1631 COCOC1=C(Cl)C=CC=C1F HR155323 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.1631 [C-]#[N+]CCC1=C(Cl)C=CC=C1Cl HR103007 [0,1,0,0,0,0|0,1,2]=4 165 B10R0.71 C=C\C=C\C=C\CCCCC HR145099 [0,0,1,0,0,0|2,0,1]=4 166 B10R0.71 CCCCC\C=C\C=C\C=O HR115428 [0,0,1,0,0,0|2,0,1]=4 167 B10R0.71 CCCCC\C=C\C=C\C=O HR141503 [0,0,1,0,0,0|2,0,1]=4 168 B12R2.24 CC1CCC2=CC=CC=C2N1 HR140133 [0,0,0,1,0,0|2,0,0]=3 169 B12R2.24 NC1CCC2=CC=CC=C2C1 HR113464 [0,0,0,1,0,0|3,0,0]=4 170 B12R2.24 NC1CCC2=CC=CC=C2C1 HR142447 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.24 NC1CCC2=CC=CC=C2C1 HR146940 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.24 NC1CCc2ccccc2C1 HR113296 [0,0,0,1,0,0|3,0,0]=4 173 B12R2.24 NN1CCC2=CC=CC=C2C1 HR32198 [0,0,0,1,0,0|2,0,0]=3 174 B12R2.24 O=C1CCC2=CC=CC=C2C1 HR124845 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.24 O=C1CCC2=CC=CC=C2N1 HR128805 [0,0,0,1,0,0|3,0,0]=4 176 B12R2.24 O=C1CCC2=CC=CC=C2O1 HR127620 [0,0,0,1,0,0|3,0,0]=4 177 B12R2.24 OC1CCC2=CC=CC=C2C1 HR108071 [0,0,0,1,0,0|3,0,0]=4 178 B12R2.32 OCC1CC2=CC=CC=C2C1 HR106550 [0,0,0,1,0,0|3,0,0]=4 179 B12R2.41 C1=CC2=C(C=C1)CCNCC2 HR112939 [0,0,0,1,0,0|1,0,0]=2 180 B12R2.41 C1=CC2=C(C=C1)CNCCC2 HR148128 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.41 C1=CC2=C(C=C1)NCCCC2 HR105009 [0,0,0,1,0,0|2,0,0]=3 182 B12R2.41 C1=CC2=C(C=C1)NCCCN2 HR120975 [0,0,0,1,0,0|3,0,0]=4 183 B12R2.41 C1=CC2=C(C=C1)NCCNC2 HR106310 [0,0,0,1,0,0|3,0,0]=4 184 B12R2.41 c1cnc2c(c1)CCCCC2 HR115625 [0,0,0,1,0,0|3,0,0]=4 185 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 HR134176 [0,0,0,1,0,0|3,0,0]=4 186 B12R2.196 CC1=NNC2=C(F)C=CC=C12 HR30506 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 HR139113 [0,0,0,1,0,0|0,1,2]=4 188 B12R2.196 CN1C=CC2=C1C=CC=C2O HR148416 [0,0,0,1,0,0|1,0,2]=4 189 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 HR30796 [0,0,0,1,0,0|1,1,1]=4 190 B12R2.196 CN1N=CC2=C(N)C=CC=C21 HR110891 [0,0,0,1,0,0|2,0,1]=4 191 B12R2.196 CN1N=CC2=C1C=CC=C2O HR30533 [0,0,0,1,0,0|2,0,1]=4 192 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 HR119646 [0,0,0,1,0,0|3,0,0]=4 193 B12R2.196 NC1CCC2=C(F)C=CC=C21 HR119224 [0,0,0,1,0,0|2,0,0]=3 194 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 HR31830 [0,0,0,1,0,0|2,1,0]=4 195 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 HR32272 [0,0,0,1,0,0|2,1,0]=4 196 B12R2.196 O=C1CCC2=C(F)C=CC=C12 HR32293 [0,0,0,1,0,0|2,0,0]=3 197 B12R2.196 O=C1CCC2=C(O)C=CC=C12 HR9659 [0,0,0,1,0,0|3,0,0]=4 198 B12R2.1081 BrC1=C2CCCNC2=CC=C1 HR146922 [0,0,0,1,0,0|2,1,0]=4 199 B12R2.1081 BrC1=C2CCCNC2=CC=C1 HR30336 [0,0,0,1,0,0|2,1,0]=4 200 B12R2.1081 BrC1=C2CCNCC2=CC=C1 HR110106 [0,0,0,1,0,0|0,1,0]=2 201 B12R2.1081 BrC1=C2CNCCC2=CC=C1 HR108207 [0,0,0,1,0,0|2,1,0]=4 202 B12R2.1081 Brc1cccc2c1CCNC2 HR145016 [0,0,0,1,0,0|0,1,0]=2 203 B12R2.1081 Brc1cccc2c1CNCC2 HR103654 [0,0,0,1,0,0|2,1,0]=4 204 B12R2.1081 Cc1cccc2c1CCCN2 HR147035 [0,0,0,1,0,0|3,0,0]=4 205 B12R2.1081 ClC1=C2CCCNC2=CC=C1 HR32271 [0,0,0,1,0,0|2,1,0]=4 206 B12R2.1081 ClC1=C2CCNCC2=CC=C1 HR107289 [0,0,0,1,0,0|0,1,0]=2 207 B12R2.1081 ClC1=C2CNCCC2=CC=C1 HR110501 [0,0,0,1,0,0|2,1,0]=4 208 B12R2.1081 ClC1=C2CNCCC2=CC=C1 HR114678 [0,0,0,1,0,0|2,1,0]=4 209 B12R2.1081 ClC1=C2NCCCC2=CC=C1 HR30378 [0,0,0,1,0,0|2,1,0]=4 210 B12R2.1081 Clc1cccc2c1CCNC2 HR144624 [0,0,0,1,0,0|0,1,0]=2 211 B12R2.1081 FC1=C2CCCNC2=CC=C1 HR32618 [0,0,0,1,0,0|2,0,0]=3 212 B12R2.1081 FC1=C2CCCNC2=CC=C1 HR32619 [0,0,0,1,0,0|2,0,0]=3 213 B12R2.1081 FC1=C2CCNCC2=CC=C1 HR110184 [0,0,0,1,0,0|0,0,0]=1 214 B12R2.1081 FC1=C2CCNCC2=CC=C1 HR149536 [0,0,0,1,0,0|0,0,0]=1 215 B12R2.1081 FC1=C2CNCCC2=CC=C1 HR149732 [0,0,0,1,0,0|2,0,0]=3 216 B12R2.1081 FC1=CC=CC2=C1NCCO2 HR33511 [0,0,0,1,0,0|3,0,0]=4 217 B12R2.1081 FC1=CC=CC2=C1OCCN2 HR109166 [0,0,0,1,0,0|3,0,0]=4 218 B12R2.1081 NC1=C2CNCCC2=CC=C1 HR154968 [0,0,0,1,0,0|3,0,0]=4 219 B12R2.1081 NC1=CC=CC2=C1CCCC2 HR146646 [0,0,0,1,0,0|2,0,0]=3 220 B12R2.1081 NC1=CC=CC2=C1CCNC2 HR109465 [0,0,0,1,0,0|1,0,0]=2 221 B12R2.1081 NC1=NC=CC2=C1CCNC2 HR107139 [0,0,0,1,0,0|2,0,0]=3 222 B12R2.1081 Nc1cccc2c1CC=CC2 HR112547 [0,0,0,1,0,0|2,0,1]=4 223 B12R2.1081 Nc1cccc2c1CCNC2 HR140451 [0,0,0,1,0,0|1,0,0]=2 224 B12R2.1081 O=C1NC=CC2=C1CCNC2 HR146129 [0,0,0,1,0,0|2,0,0]=3 225 B12R2.1081 OC1=C2CNCCC2=CC=C1 HR109789 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.1081 OC1=C2NCCCC2=CC=C1 HR111685 [0,0,0,1,0,0|3,0,0]=4 227 B12R2.1081 OC1=CC=CC2=C1CCCC2 HR144211 [0,0,0,1,0,0|2,0,0]=3 228 B12R2.1081 OC1=CC=CC2=C1CCNC2 HR143655 [0,0,0,1,0,0|1,0,0]=2 229 B12R2.1081 Oc1cccc2c1CCNC2 HR142011 [0,0,0,1,0,0|1,0,0]=2 230 B12R2.1081 Oc1cccc2c1CNCC2 HR142108 [0,0,0,1,0,0|3,0,0]=4 231 B10R1.29 CCCCC1=C(Br)SC=C1 HR116115 [0,0,0,0,1,0|2,1,0]=4 232 B9R0.45 CCCC\C=C\C=C\C=O HR129759 [1,0,1,0,0,0|1,0,1]=4 233 B9R1.8 BrCCC1=CC=CC=C1 HR137400 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.8 BrCCC1=CC=CN=C1 HR145991 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.8 BrCCC1=NC=CC=C1 HR108401 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.8 BrCCC1=NC=CC=C1 HR140265 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.8 Br[Mg]CC1=CC=CC=C1 HR107023 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.8 C=CCC1=CC=CC=C1 HR125190 [2,0,0,0,0,0|0,0,2]=4 239 B9R1.8 CC#CC1=CC=CC=C1 HR143340 [2,0,0,0,0,0|0,0,2]=4 240 B9R1.8 CCCC1=CC=NC=C1 HR126194 [2,0,0,0,0,0|1,0,0]=3 241 B9R1.8 CCCC1=NC=CC=C1 HR129514 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.8 CCC[n+]1ccccc1 HR103120 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.8 CCC[n+]1ccccc1 HR122183 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.8 CCOC1=CC=CC=C1 SOSA06013 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.8 CCOC1=NC=CC=C1 HR1126 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.8 CNCC1=CC=CC=C1 HR122296 [2,0,0,0,0,0|0,0,0]=2 247 B9R1.8 CNCC1=CC=CN=C1 HR115545 [2,0,0,0,0,0|1,0,0]=3 248 B9R1.8 CNCC1=NC=CC=N1 HR148114 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.8 CNCC1=NC=CN=C1 HR146839 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.8 CNCC1=NC=NC=C1 HR120571 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.8 COCC1=CC=CC=C1 HR110737 [2,0,0,0,0,0|1,0,0]=3 252 B9R1.8 COCC1=NC=CC=C1 HR139025 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.8 CSCC1=CC=CC=C1 HR135285 [2,0,0,0,0,0|1,0,0]=3 254 B9R1.8 CSSC1=CC=CC=C1 HR128216 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.8 ClCCC1=CC=CC=C1 HR133891 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.8 ClCCC1=NC=CC=C1 HR142690 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.8 ClCSC1=CC=CC=C1 HR129663 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.8 Cl[Mg]CC1=CC=CC=C1 HR114099 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.8 N#CCC1=CC=CC=C1 HR20468 [2,0,0,0,0,0|0,0,2]=4 260 B9R1.8 NCCC1=CC=CC=C1 HR124878 [2,0,0,0,0,0|0,0,0]=2 261 B9R1.8 NCCC1=CC=CC=C1 HR126697 [2,0,0,0,0,0|0,0,0]=2 262 B9R1.8 NCCC1=CC=CN=C1 HR134041 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.8 NCCC1=CC=NC=C1 HR116357 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.8 NCCC1=CC=NC=C1 HR119181 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.8 NCCC1=NC=CC=C1 HR141302 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.8 NNCC1=CC=CC=C1 HR134091 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.8 NNCC1=CC=CC=C1 HR30015 [2,0,0,0,0,0|1,0,0]=3 268 B9R1.8 NNCC1=CC=CN=C1 HR105274 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.8 NOCC1=CC=CC=C1 HR139396 [2,0,0,0,0,0|1,0,0]=3 270 B9R1.8 NOCC1=CC=CC=C1 HR7095 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.8 N\C=C\C1=CC=CC=C1 HR145262 [2,0,0,0,0,0|0,0,2]=4 272 B9R1.8 O=CCC1=CC=CC=C1 HR138581 [2,0,0,0,0,0|1,0,1]=4 273 B9R1.8 OCCC1=CC=CC=C1 HR126434 [2,0,0,0,0,0|1,0,0]=3 274 B9R1.8 OCCC1=CC=CN=C1 HR117461 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.8 OCCC1=CC=NC=C1 HR134681 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.8 OCCC1=NC=CC=C1 HR132012 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.8 ONCC1=CC=CC=C1 HR30114 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.8 SCCC1=CC=CC=C1 HR137189 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 HR100465 [2,0,0,0,0,0|0,0,2]=4 280 B9R1.15 BrCC1=C(Br)C=CC=C1 HR16915 [2,0,0,0,0,0|1,1,0]=4 281 B9R1.15 BrCC1=C(I)C=CC=C1 HR128775 [2,0,0,0,0,0|1,1,0]=4 282 B9R1.15 C#CC1=C(F)C=CC=C1 HR119279 [2,0,0,0,0,0|0,0,2]=4 283 B9R1.15 C=CC1=C(F)C=CC=C1 HR129562 [2,0,0,0,0,0|0,0,2]=4 284 B9R1.15 CC1=C(CBr)C=CC=C1 HR148643 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.15 CC1=C(CCl)C=CC=C1 HR138358 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.15 CC1=C(CN)C=CC=C1 HR135254 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.15 CC1=C(CO)C=CC=C1 HR137871 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.15 CC1=C(NN)C=CC=C1 HR6396 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.15 CC1=CC=CN=C1CN HR101019 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.15 CCC1=C(Br)C=CC=C1 HR3770 [2,0,0,0,0,0|0,1,0]=3 291 B9R1.15 CCC1=C(C)C=CC=C1 HR141099 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.15 CCC1=C(O)C=CC=C1 HR137341 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.15 CCC1=C(S)C=CC=C1 HR125552 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.15 CCC1=CC=CN=C1N HR112369 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.15 CCC1=NC=CC=C1Br HR30415 [2,0,0,0,0,0|1,1,0]=4 296 B9R1.15 CCC1=NC=NC=C1F HR138279 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.15 CC[N+]1=C(Br)C=CC=C1 HR138344 [2,0,0,0,0,0|1,1,0]=4 298 B9R1.15 CNC1=C(Br)C=CC=C1 HR114695 [2,0,0,0,0,0|0,1,0]=3 299 B9R1.15 CNC1=C(C)C=CN=C1 HR110155 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.15 CNC1=C(Cl)C=CC=C1 HR144009 [2,0,0,0,0,0|0,1,0]=3 301 B9R1.15 CNC1=C(F)C=CC=C1 HR136160 [2,0,0,0,0,0|0,0,0]=2 302 B9R1.15 CNC1=C(N)C=CC=C1 HR133206 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.15 CNC1=C(N)C=NC=C1 HR30038 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.15 CNC1=C(O)C=CC=C1 HR141198 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.15 CNC1=CC=CC=C1N HR133477 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.15 CNC1=CC=CN=C1Cl HR131302 [2,0,0,0,0,0|1,1,0]=4 307 B9R1.15 CNC1=NC=CC=C1I HR152872 [2,0,0,0,0,0|1,1,0]=4 308 B9R1.15 CNc1ccccc1C HR130258 [2,0,0,0,0,0|1,0,0]=3 309 B9R1.15 COC1=C(Br)C=CC=C1 HR3725 [2,0,0,0,0,0|1,1,0]=4 310 B9R1.15 COC1=C(C)C=CC=C1 HR137455 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.15 COC1=C(Cl)C=CC=C1 HR123590 [2,0,0,0,0,0|1,1,0]=4 312 B9R1.15 COC1=C(F)C=CC=C1 ELXM01906 [2,0,0,0,0,0|1,0,0]=3 313 B9R1.15 COC1=C(I)C=CC=C1 HR136181 [2,0,0,0,0,0|1,1,0]=4 314 B9R1.15 COC1=C(S)C=CC=C1 HR122294 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.15 COC1=CC=CC=C1O HR128921 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.15 COC1=CC=CN=C1F HR152621 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.15 COc1ccccc1N HR147690 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.15 CSC1=C(Br)C=CC=C1 HR139567 [2,0,0,0,0,0|1,1,0]=4 319 B9R1.15 CSC1=C(Cl)C=CC=C1 HR140054 [2,0,0,0,0,0|1,1,0]=4 320 B9R1.15 CSC1=C(F)C=CC=C1 HR139213 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.15 CSC1=C(F)C=NC=C1 HR153036 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.15 CSC1=C(I)C=CC=C1 HR139026 [2,0,0,0,0,0|1,1,0]=4 323 B9R1.15 CSC1=C(N)C=CC=C1 HR137618 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.15 CSC1=C(O)C=CC=C1 HR143629 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.15 CSC1=CC=CN=C1F HR152808 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.15 Cc1ccccc1NN HR135194 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.15 ClC1=C(CBr)C=CC=C1 HR132482 [2,0,0,0,0,0|1,1,0]=4 328 B9R1.15 ClCC1=C(Cl)C=CC=C1 HR131237 [2,0,0,0,0,0|1,1,0]=4 329 B9R1.15 ClCC1=C(I)C=CC=C1 HR118598 [2,0,0,0,0,0|1,1,0]=4 330 B9R1.15 FC1=C(CBr)C=CC=C1 VEXM01107 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.15 FC1=C(CCl)C=CC=C1 RAXM01504 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.15 N#CC1=C(F)C=CC=C1 HR132061 [2,0,0,0,0,0|0,0,2]=4 333 B9R1.15 NC1=C(CO)C=CC=C1 HR129640 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.15 NCC1=C(Br)C=CC=C1 HR107271 [2,0,0,0,0,0|0,1,0]=3 335 B9R1.15 NCC1=C(Cl)C=CC=C1 HR130715 [2,0,0,0,0,0|0,1,0]=3 336 B9R1.15 NCC1=C(F)C=CC=C1 HR136479 [2,0,0,0,0,0|0,0,0]=2 337 B9R1.15 NCC1=C(F)C=NC=C1 HR121891 [2,0,0,0,0,0|1,0,0]=3 338 B9R1.15 NCC1=C(N)C=CC=C1 HR139219 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.15 NCC1=C(O)C=CC=C1 HR114145 [2,0,0,0,0,0|1,0,0]=3 340 B9R1.15 NCC1=CC=CN=C1Cl HR120674 [2,0,0,0,0,0|1,1,0]=4 341 B9R1.15 NCC1=CC=CN=C1F HR114175 [2,0,0,0,0,0|1,0,0]=3 342 B9R1.15 NCC1=CC=CN=C1F HR146812 [2,0,0,0,0,0|1,0,0]=3 343 B9R1.15 NCC1=NC=CC=C1O HR33759 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.15 NCc1ccccc1Cl HR114059 [2,0,0,0,0,0|0,1,0]=3 345 B9R1.15 NCc1ccccc1N CESA03017 [2,0,0,0,0,0|1,0,0]=3 346 B9R1.15 NCc1cccnc1O HR113504 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.15 NNC1=C(Br)C=CC=C1 HR104654 [2,0,0,0,0,0|1,1,0]=4 348 B9R1.15 NNC1=C(Br)C=CC=C1 HR123322 [2,0,0,0,0,0|1,1,0]=4 349 B9R1.15 NNC1=C(Cl)C=CC=C1 HR126949 [2,0,0,0,0,0|1,1,0]=4 350 B9R1.15 NNC1=C(F)C=CC=C1 HR122819 [2,0,0,0,0,0|1,0,0]=3 351 B9R1.15 NNC1=C(F)C=CC=C1 HR127495 [2,0,0,0,0,0|1,0,0]=3 352 B9R1.15 NNC1=NC=CC=C1F HR145905 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.15 O=CC1=C(F)C=CC=C1 HR3476 [2,0,0,0,0,0|1,0,1]=4 354 B9R1.15 OCC1=C(Br)C=CC=C1 HR124688 [2,0,0,0,0,0|1,1,0]=4 355 B9R1.15 OCC1=C(Cl)C=CC=C1 HR129922 [2,0,0,0,0,0|1,1,0]=4 356 B9R1.15 OCC1=C(F)C=CC=C1 HR133869 [2,0,0,0,0,0|1,0,0]=3 357 B9R1.15 OCC1=C(F)C=NC=C1 HR109962 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.15 OCC1=C(I)C=CC=C1 HR134417 [2,0,0,0,0,0|1,1,0]=4 359 B9R1.15 OCC1=C(S)C=CC=C1 HR108380 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.15 OCC1=CC=CC=C1O HR133672 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.15 OCC1=CC=CN=C1F HR105854 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.15 OCC1=NC=CC=C1F HR108056 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.15 ONC1=C(Cl)C=CC=C1 HR119473 [2,0,0,0,0,0|1,1,0]=4 364 B9R1.15 SCC1=C(Br)C=CC=C1 HR141525 [2,0,0,0,0,0|1,1,0]=4 365 B11R1.13 CCOC1=C(F)C(F)=CC=C1 HR130928 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.13 CNCC1=C(F)C(Br)=CC=C1 HR154533 [1,1,0,0,0,0|0,0,0]=2 367 B11R1.13 N#CCC1=C(F)C(Cl)=CC=C1 HR141133 [1,1,0,0,0,0|0,0,2]=4 368 B11R1.13 N#CCC1=C(F)C(F)=CC=C1 HR105710 [1,1,0,0,0,0|0,0,2]=4 369 B11R1.13 NCCC1=C(Cl)C(Cl)=CC=C1 HR147090 [1,1,0,0,0,0|0,1,0]=3 370 B11R1.13 OCCC1=C(Cl)C(Cl)=CC=C1 HR108232 [1,1,0,0,0,0|1,1,0]=4 371 B11R1.41 CCOC1=C(C#N)C=CC=C1 HR126920 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.41 CCOC1=C(C=O)C=CC=C1 HR142460 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.41 CCOC1=C(CCl)C=CC=C1 HR121176 [1,1,0,0,0,0|1,1,0]=4 374 B11R1.41 CCOC1=C(CN)C=CC=C1 HR115396 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.41 CNCC1=C(OC)C=CC=C1 HR144722 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.41 COC1=C(CCN)C=CC=C1 HR133089 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.41 COC1=C(CCO)C=CC=C1 HR140434 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.41 COc1ccccc1CNN HR104512 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.41 COc1ccccc1CON HR104871 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.41 O=CC1=C(CCBr)C=CC=C1 HR129654 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.81 CCCC1=C(O)C=C(O)C=C1 HR103849 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.81 CCOC1=C(Br)C=C(Cl)C=C1 HR153432 [1,1,0,0,0,0|1,1,0]=4 383 B11R1.81 CCOC1=C(Br)C=C(F)C=C1 HR153429 [1,1,0,0,0,0|1,1,0]=4 384 B11R1.81 CCOC1=C(C)C=C(Br)C=C1 HR153650 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 HR154080 [1,1,0,0,0,0|1,1,0]=4 386 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 HR153168 [1,1,0,0,0,0|1,1,0]=4 387 B11R1.81 CCOC1=C(Cl)C=C(O)C=C1 HR154520 [1,1,0,0,0,0|1,1,0]=4 388 B11R1.81 CCOC1=C(F)C=C(F)C=C1 HR153851 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.81 CCOC1=C(F)C=C(N)C=N1 HR146827 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.81 CCOC1=C(F)C=C(O)C=C1 HR154383 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.81 CCOC1=C(N)C=C(N)C=C1 HR126487 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.81 CCOC1=C(O)C=C(Cl)C=C1 HR154493 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.81 CCOC1=C(O)C=C(F)C=C1 HR153957 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.81 CCOC1=CC=C(C)N=C1F HR152731 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.81 CCOc1ccc(Br)cc1Cl HR153418 [1,1,0,0,0,0|1,1,0]=4 396 B11R1.81 CCOc1ccc(Br)cc1F HR153421 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.81 CCOc1ccc(C)cc1Br HR153446 [1,1,0,0,0,0|1,1,0]=4 398 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 HR116819 [1,1,0,0,0,0|0,1,0]=3 399 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 HR118174 [1,1,0,0,0,0|0,1,0]=3 400 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 HR102538 [1,1,0,0,0,0|0,0,2]=4 401 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 IDJL00702 [1,1,0,0,0,0|0,0,2]=4 402 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 HR132564 [1,1,0,0,0,0|0,0,2]=4 403 B11R1.81 NCCC1=C(Cl)C=C(Cl)C=C1 HR130606 [1,1,0,0,0,0|0,1,0]=3 404 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 HR108417 [1,1,0,0,0,0|1,1,0]=4 405 B11R1.81 NOCc1ccc(F)cc1Cl HR102992 [1,1,0,0,0,0|1,1,0]=4 406 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 HR118596 [1,1,0,0,0,0|1,1,0]=4 407 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 HR131256 [1,1,0,0,0,0|0,1,1]=4 408 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 HR106964 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 HR138303 [1,1,0,0,0,0|0,1,1]=4 410 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 HR127721 [1,1,0,0,0,0|0,0,1]=3 411 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 HR141389 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.86 CC(C)OC1=C(F)C=CC=C1 HR153646 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.86 CC(C)OC1=C(N)C=CC=C1 HR148440 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.86 CC(C)OC1=C(O)C=CC=C1 HR139950 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.86 CC(C)OC1=CC=CN=C1F HR152950 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.86 CC(C)SC1=C(N)C=CC=C1 HR139116 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 HR154508 [1,1,0,0,0,0|0,1,0]=3 418 B11R1.86 NC(=O)CC1=C(Br)C=CC=C1 HR107481 [1,1,0,0,0,0|0,1,1]=4 419 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 HR113999 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 HR143085 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 HR138643 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.182 CCNC1=C(C)C=CC(O)=C1 HR108158 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.182 CCOC1=C(Br)C=CC(Br)=C1 HR153813 [1,1,0,0,0,0|1,1,0]=4 424 B11R1.182 CCOC1=C(Br)C=CC(C)=C1 HR154129 [1,1,0,0,0,0|1,1,0]=4 425 B11R1.182 CCOC1=C(Br)C=CC(F)=C1 HR153821 [1,1,0,0,0,0|1,1,0]=4 426 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 HR124293 [1,1,0,0,0,0|1,1,0]=4 427 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 HR153578 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 HR143657 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.182 CCOC1=CC(Br)=CN=C1F HR152856 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.182 CCOc1cc(Br)ccc1C HR153440 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.182 CCOc1cc(Br)ccc1Cl HR153577 [1,1,0,0,0,0|1,1,0]=4 432 B11R1.182 CNCc1cc(Cl)ccc1Cl HR117158 [1,1,0,0,0,0|0,1,0]=3 433 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 HR112734 [1,1,0,0,0,0|0,0,2]=4 434 B11R1.182 N#CCC1=C(F)C=CC(Cl)=C1 HR141233 [1,1,0,0,0,0|0,0,2]=4 435 B11R1.182 N#CCC1=C(F)C=CC(F)=C1 HR132294 [1,1,0,0,0,0|0,0,2]=4 436 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 HR125969 [1,1,0,0,0,0|0,1,0]=3 437 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 HR102662 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 HR102022 [1,1,0,0,0,0|0,1,1]=4 439 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 HR123619 [1,1,0,0,0,0|0,0,1]=3 440 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 HR132318 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.222 CCC(C)C1=C(O)C=CC=C1 HR135290 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.222 CCC(N)C1=C(F)C=CC=C1 HR150575 [1,1,0,0,0,0|0,0,0]=2 443 B11R1.222 CCC(N)C1=C(F)C=CC=C1 HR150617 [1,1,0,0,0,0|0,0,0]=2 444 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 HR120290 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 HR143082 [1,1,0,0,0,0|1,0,1]=4 446 B11R1.222 CNC(C)C1=C(Cl)C=CC=C1 HR114032 [1,1,0,0,0,0|0,1,0]=3 447 B11R1.222 COC(=O)C1=C(F)C=CC=C1 HR123467 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HR132526 [1,1,0,0,0,0|0,1,1]=4 449 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 HR105319 [1,1,0,0,0,0|0,0,1]=3 450 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 HR150266 [1,1,0,0,0,0|0,0,1]=3 451 B11R1.222 NCC(O)C1=C(F)C=CC=C1 HR118756 [1,1,0,0,0,0|0,0,0]=2 452 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 HR113116 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.222 O=C(CBr)c1ccccc1F HR105882 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.222 OCC(O)C1=C(Cl)C=CC=C1 HR139874 [1,1,0,0,0,0|1,1,0]=4 455 B11R1.605 CC1=CC=CC(C)=C1CCO HR106781 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.605 CCCC1=C(O)C=CC=C1O HR107550 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.605 CCOC1=C(Br)C=CC=C1Cl HR156566 [1,1,0,0,0,0|1,1,0]=4 458 B11R1.605 CCOC1=C(Br)C=CC=C1F HR153574 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.605 CCOC1=C(Cl)C=CC=C1Cl HR154104 [1,1,0,0,0,0|1,1,0]=4 460 B11R1.605 N#CCC1=C(Cl)C=CC=C1F HR138356 [1,1,0,0,0,0|0,0,2]=4 461 B11R1.605 N#CCC1=C(F)C=CC=C1F HR142750 [1,1,0,0,0,0|0,0,2]=4 462 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl HR133057 [1,1,0,0,0,0|0,1,0]=3 463 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl HR147091 [1,1,0,0,0,0|0,1,0]=3 464 B11R1.605 NCCC1=C(F)C=CC=C1F HR139118 [1,1,0,0,0,0|0,0,0]=2 465 B11R1.605 NNCC1=C(Cl)C=CC=C1Cl HR101079 [1,1,0,0,0,0|1,1,0]=4 466 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl HR108546 [1,1,0,0,0,0|1,1,0]=4 467 B11R1.605 OCCC1=C(Cl)C=CC=C1F HR107601 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.1 CCCCC1=CC=C(Br)C=C1 HR123909 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.1 CCCCC1=CC=C(I)C=C1 HR129489 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.1 CCCCC1=CC=C(N)C=C1 HR124226 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.1 CCCCC1=CC=C(O)C=C1 HR123850 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 HR108110 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.1 CCCC[n+]1ccc(C)cc1 HR142536 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.1 CCCC[n+]1ccc(C)cc1 HR142930 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.1 CCCOC1=CC=C(Br)C=C1 HR153427 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.1 CCCOC1=CC=C(N)C=C1 HR144025 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.1 CCCOC1=CC=C(O)C=C1 HR130673 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.1 CCNCC1=CC=C(Cl)C=C1 HR116589 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.1 CCOCC1=CC=C(Br)C=C1 HR154827 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.1 CNCCC1=CC=C(O)C=C1 HR120214 [1,1,0,0,0,0|0,0,0]=2 481 B11R1.1 CNCCC1=CC=C(O)C=C1 HR15214 [1,1,0,0,0,0|0,0,0]=2 482 B11R1.1 COCCC1=CC=C(O)C=C1 HR136030 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.1 COCOC1=CC=C(Br)C=C1 HR155394 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.1 COCOC1=CC=C(C)C=C1 HR155366 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.1 COCOC1=CC=C(Cl)C=C1 HR155384 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.1 COCOC1=CC=C(F)C=C1 HR155388 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.1 Clc1ccc(CC[Mg]Br)cc1 HR100119 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.1 N#CCCC1=CC=C(Br)C=C1 HR118901 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.1 N#CCCC1=CC=C(O)C=C1 HR122827 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.1 O=CCCC1=CC=C(Br)C=C1 HR142007 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.1 O=CCCC1=CC=C(F)C=C1 HR111075 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.1 OCCCC1=CC=C(Br)C=C1 HR3984 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.1 OCCCC1=CC=C(O)C=C1 HR117766 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.1 OCCCc1ccc(Cl)cc1 HR125666 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.1 [C-]#[N+]CCC1=CC=C(F)C=C1 HR121213 [1,1,0,0,0,0|0,0,2]=4 496 B11R1.16 CCCC(C)C1=CC=CC=C1 HR141702 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.16 CNCC(=O)C1=CC=CC=C1 HR112980 [1,1,0,0,0,0|0,0,1]=3 498 B11R1.16 COCC(=O)C1=CC=CC=C1 HR140919 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.16 NC(CCO)C1=CC=CC=C1 HR118366 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.16 NC(CCO)C1=CC=CC=C1 HR133247 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.16 NC(CCO)C1=CC=CC=C1 HR139778 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.16 NCCC(O)C1=CC=CC=C1 HR119965 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.16 OC(CCCl)C1=CC=CC=C1 HR119377 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.16 OC(CCCl)C1=CC=CC=C1 HR144241 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.16 OC(CCCl)C1=CC=CC=C1 HR5738 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 HR140803 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.24 CCCC[n+]1cccc(C)c1 HR142446 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.24 CCCC[n+]1cccc(C)c1 HR143032 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.24 CCCOC1=CC=CC(Br)=C1 HR153522 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.24 CCNCC1=CC(F)=CC=C1 HR114070 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.24 COCOC1=CC=CC(Br)=C1 HR155397 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.24 COCOC1=CC=CC(Cl)=C1 HR155398 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.24 COCOC1=CC=CC(F)=C1 HR114282 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 HR120899 [1,1,0,0,0,0|0,0,2]=4 515 B11R1.28 BrCCCCC1=CC=CC=C1 HR127944 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.28 BrCCCOC1=CC=CC=C1 HR131909 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.28 BrCCOCC1=CC=CC=C1 HR128662 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.28 CCCCCC1=CC=CC=C1 HR16788 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.28 CCCCCC1=NC=CC=C1 HR126861 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.28 CCCCCc1ccccc1 HR125033 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.28 CCCCCc1ccccc1 HR144114 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.28 CCCCOC1=CC=CC=C1 HR126122 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.28 CCCNCC1=CC=CC=C1 HR116670 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.28 CCOCCC1=CC=CC=C1 HR133449 [1,1,0,0,0,0|1,0,0]=3 525 B11R1.28 CNCCCC1=CC=CC=C1 HR143705 [1,1,0,0,0,0|0,0,0]=2 526 B11R1.28 CNCCCC1=NC=CC=C1 HR108234 [1,1,0,0,0,0|1,0,0]=3 527 B11R1.28 ClCCCCc1ccncc1 HR111365 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.28 ClCCNCC1=CC=CC=C1 HR104191 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.28 N#CCCNC1=CC=CC=C1 HR128342 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.28 N#CCNCC1=CC=CC=C1 HR32197 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.28 NCCCCC1=CC=CC=C1 HR135987 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.28 NCCNCC1=CC=CC=C1 HR133429 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.28 NCCOCC1=CC=CC=C1 HR104976 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.28 O=CCOCC1=CC=CC=C1 HR124340 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.28 O=COCCC1=CC=CC=C1 HR127546 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.28 OCCCCC1=CC=CC=C1 HR124038 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.28 OCCCCC1=CC=NC=C1 HR124072 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.28 OCCCCC1=NC=CC=C1 HR106714 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.28 OCCCOC1=CC=CC=C1 HR130374 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.28 OCCNCC1=CC=CC=C1 EDCQ03601 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.28 OCCOCC1=CC=CC=C1 HR1939 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.28 OCCSCC1=CC=CC=C1 HR139277 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.28 S=C=NCCC1=CC=CC=C1 HR124258 [1,1,0,0,0,0|0,0,2]=4 544 B11R1.40 CCC(=O)CC1=CC=CC=C1 HR130193 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.40 CCC(C)CC1=CC=CC=C1 HR111099 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.40 CNC(=S)NC1=CC=CC=C1 HR141136 [1,1,0,0,0,0|1,0,1]=4 547 B11R1.40 COC(=O)CC1=CC=CC=C1 HR126774 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.40 NC(CO)CC1=CC=CC=C1 HR147611 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.40 NC(CO)CC1=CC=CC=C1 R2CQ01701 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.40 NC(CO)Cc1ccccc1 HR123399 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.40 NCC(N)CC1=CC=CC=C1 HR145113 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.40 NCC(O)CC1=CC=CC=C1 HR139580 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.40 NCC(O)CC1=CC=CC=C1 HR146072 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.40 NCC(O)CC1=CC=CC=C1 HR146073 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.40 NNC(=O)CC1=CC=CC=C1 HR139555 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.91 CC(=O)CCC1=CC=CC=C1 HR131653 [1,1,0,0,0,0|1,0,0]=3 557 B11R1.91 CC(=O)NCC1=CC=CC=C1 HR101818 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.91 CC(=O)OCC1=CC=CC=C1 HR124107 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.91 CC(C)=CCC1=CC=CC=C1 HR143896 [1,1,0,0,0,0|1,0,1]=4 560 B11R1.91 CC(C)NCC1=CC=CC=C1 HR135682 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.91 CC(N)CCC1=CC=CC=C1 HR100540 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.91 CC(N)CCC1=CC=CC=C1 HR129379 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.91 CC(O)CCC1=CC=CC=C1 HR142083 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.91 CC(O)COC1=CC=CC=C1 HR135584 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.91 NC(=O)CCC1=CC=CC=C1 HR143750 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 HR125999 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.91 O=C(O)CCC1=CC=CC=C1 HR131731 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 HR105516 [1,1,0,0,0,0|1,0,1]=4 569 B11R1.91 OB(O)CCC1=CC=CC=C1 HR124048 [1,1,0,0,0,0|2,0,0]=4 570 B13R1.16 CCCCOC1=C(F)C(F)=CC=C1 HR116510 [0,2,0,0,0,0|1,0,0]=3 571 B13R1.369 CCCCCc1ccc(C)cc1O HR125758 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.369 CCCCOC1=C(Br)C=C(F)C=C1 HR153635 [0,2,0,0,0,0|1,1,0]=4 573 B13R1.369 CCCCOC1=C(Cl)C=C(Br)C=C1 HR153846 [0,2,0,0,0,0|1,1,0]=4 574 B13R1.369 CCCCOC1=C(F)C=C(Br)C=C1 HR153467 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.1601 CCCOC1=C(F)C=C(F)C=C1F HR153519 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.1601 CCCOC1=C(F)C=C(I)C=C1F HR156255 [0,2,0,0,0,0|2,0,0]=4 577 B13R1.1601 COCOC1=C(Br)C=C(F)C=C1F HR155357 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.1601 COCOC1=C(F)C=C(Br)C=C1F HR155352 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.1630 COCOC1=CC(F)=C(Br)C=C1F HR155344 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.91 CNC(C)Cc1ccccc1OC HR133091 [0,2,0,0,0,0|1,0,0]=3 581 B13R1.1619 COCOC1=C(F)C=CC=C1SC HR155328 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR105911 [0,2,0,0,0,0|2,0,0]=4 583 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR106227 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR121240 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR126330 [0,2,0,0,0,0|2,0,0]=4 586 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR126590 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR140428 [0,2,0,0,0,0|2,0,0]=4 588 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 HR121759 [0,2,0,0,0,0|1,1,0]=4 589 B13R1.555 CNCCCOc1ccccc1C HR101800 [0,2,0,0,0,0|1,0,0]=3 590 B13R1.656 CCCCOC1=C(Br)C=CC(F)=C1 HR153849 [0,2,0,0,0,0|1,1,0]=4 591 B13R1.656 CCCCOC1=C(F)C=CC(Br)=C1 HR156076 [0,2,0,0,0,0|1,0,0]=3 592 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 HR110780 [0,2,0,0,0,0|2,0,0]=4 593 B11R2.10 CC1=CC2=CC=CC=C2C1 HR5381 [1,0,0,1,0,0|1,0,1]=4 594 B11R2.10 CC1CC2=C(C=CC=C2)O1 HR103036 [1,0,0,1,0,0|1,0,0]=3 595 B11R2.10 CC1CC2=CC=CC=C2N1 HR100587 [1,0,0,1,0,0|1,0,0]=3 596 B11R2.10 CN1C=C2C=CC=CC2=N1 HR106462 [1,0,0,1,0,0|1,0,1]=4 597 B11R2.10 NC1CC2=CC=CC=C2C1 HR117906 [1,0,0,1,0,0|1,0,0]=3 598 B11R2.10 NN1CC2=CC=CC=C2C1 HR32227 [1,0,0,1,0,0|2,0,0]=4 599 B11R2.10 OC1CC2=CC=CC=C2C1 HR132632 [1,0,0,1,0,0|2,0,0]=4 600 B11R2.20 C1=CC2=C(C=C1)OCCN2 HR108074 [1,0,0,1,0,0|2,0,0]=4 601 B11R2.20 C1=CC2=C(C=C1)OCCO2 HR131700 [1,0,0,1,0,0|2,0,0]=4 602 B11R2.20 C1=CC2=C(C=C1)OCOC2 HR101029 [1,0,0,1,0,0|2,0,0]=4 603 B11R2.20 C1=CC2=C(C=C1)SCCN2 HR118047 [1,0,0,1,0,0|2,0,0]=4 604 B11R2.20 C1=CC2=C(C=N1)CCCC2 HR118074 [1,0,0,1,0,0|2,0,0]=4 605 B11R2.20 C1=CC2=C(CCCC2)N=C1 HR5891 [1,0,0,1,0,0|2,0,0]=4 606 B11R2.20 C1=CC2=C(CCNC2)N=C1 HR103858 [1,0,0,1,0,0|2,0,0]=4 607 B11R2.20 C1=CC2=C(CNCC2)N=C1 HR109863 [1,0,0,1,0,0|2,0,0]=4 608 B11R2.20 C1=CC=C2CCCCC2=C1 HR132521 [1,0,0,1,0,0|1,0,0]=3 609 B11R2.20 C1=CC=C2CCN=CC2=C1 HR113593 [1,0,0,1,0,0|1,0,1]=4 610 B11R2.20 C1=CC=C2CNCCC2=C1 HR138541 [1,0,0,1,0,0|1,0,0]=3 611 B11R2.20 C1=CC=C2CNCCC2=C1 HR141386 [1,0,0,1,0,0|1,0,0]=3 612 B11R2.20 C1=CC=C2COCCC2=C1 HR124839 [1,0,0,1,0,0|2,0,0]=4 613 B11R2.20 C1=CC=C2NCCCC2=C1 TIJL03001 [1,0,0,1,0,0|1,0,0]=3 614 B11R2.20 C1=CC=C2NCCNC2=C1 HR120479 [1,0,0,1,0,0|2,0,0]=4 615 B11R2.20 C1=NC=C2CCNCC2=C1 HR118034 [1,0,0,1,0,0|2,0,0]=4 616 B11R2.20 C1=NC=C2CNCCC2=C1 HR117428 [1,0,0,1,0,0|2,0,0]=4 617 B11R2.20 C1=NC=C2NCCCC2=C1 HR110893 [1,0,0,1,0,0|2,0,0]=4 618 B11R2.20 c1ccc2c(c1)NCCO2 HR108860 [1,0,0,1,0,0|2,0,0]=4 619 B11R2.55 BrC1=C(C2CC2)C=CC=C1 HR112412 [1,0,0,1,0,0|0,1,0]=3 620 B11R2.55 CC1=C(C2CC2)C=NC=C1 HR152860 [1,0,0,1,0,0|2,0,0]=4 621 B11R2.55 CC1=NC=CC=C1C2CC2 HR153024 [1,0,0,1,0,0|2,0,0]=4 622 B11R2.55 ClC1=CC=CN=C1C2CC2 HR152805 [1,0,0,1,0,0|1,1,0]=4 623 B11R2.55 FC1=NC=CC=C1C2CC2 HR152851 [1,0,0,1,0,0|1,0,0]=3 624 B11R2.55 NC1=C(C2CC2)C=CC=C1 HR154090 [1,0,0,1,0,0|1,0,0]=3 625 B11R2.106 BrC1=C2CCNC2=CC=C1 HR32245 [1,0,0,1,0,0|0,1,0]=3 626 B11R2.106 BrC1=C2CNCC2=CC=C1 HR105991 [1,0,0,1,0,0|0,1,0]=3 627 B11R2.106 BrC1=C2CNCC2=CC=C1 HR33326 [1,0,0,1,0,0|0,1,0]=3 628 B11R2.106 BrC1=CC=CC2=C1OCC2 HR33540 [1,0,0,1,0,0|1,1,0]=4 629 B11R2.106 CC1=C2NCCC2=CC=C1 HR105530 [1,0,0,1,0,0|2,0,0]=4 630 B11R2.106 ClC1=C2CCCC2=NC=C1 HR143470 [1,0,0,1,0,0|1,1,0]=4 631 B11R2.106 ClC1=C2CCNC2=CC=C1 HR141704 [1,0,0,1,0,0|0,1,0]=3 632 B11R2.106 ClC1=C2CNCC2=CC=C1 HR113258 [1,0,0,1,0,0|0,1,0]=3 633 B11R2.106 ClC1=C2CNCC2=CC=C1 HR120472 [1,0,0,1,0,0|0,1,0]=3 634 B11R2.106 FC1=C2C=CNC2=CC=C1 HR125037 [1,0,0,1,0,0|0,0,2]=4 635 B11R2.106 FC1=C2C=NNC2=CC=C1 HR104541 [1,0,0,1,0,0|1,0,1]=4 636 B11R2.106 FC1=C2CCNC2=CC=C1 HR111369 [1,0,0,1,0,0|0,0,0]=2 637 B11R2.106 FC1=C2CCNC2=CC=C1 HR150542 [1,0,0,1,0,0|0,0,0]=2 638 B11R2.106 FC1=C2CNCC2=CC=C1 HR113472 [1,0,0,1,0,0|0,0,0]=2 639 B11R2.106 FC1=C2CNCC2=CC=C1 HR150506 [1,0,0,1,0,0|0,0,0]=2 640 B11R2.106 Fc1cccc2c1NCC2 HR150334 [1,0,0,1,0,0|1,0,0]=3 641 B11R2.106 IC1=C2CCNC2=CC=C1 HR103521 [1,0,0,1,0,0|0,1,0]=3 642 B11R2.106 IC1=C2CCNC2=CC=C1 HR105839 [1,0,0,1,0,0|0,1,0]=3 643 B11R2.106 NC1=C2CCCC2=NC=C1 HR148690 [1,0,0,1,0,0|2,0,0]=4 644 B11R2.106 NC1=C2CCOC2=CC=C1 HR115461 [1,0,0,1,0,0|2,0,0]=4 645 B11R2.106 NC1=CC=CC2=C1CNC2 HR31659 [1,0,0,1,0,0|1,0,0]=3 646 B11R2.106 O=C1C=CC=C2CNN=C12 HR107682 [1,0,0,1,0,0|2,0,0]=4 647 B11R2.106 OC1=CC=CC2=C1CCC2 HR147440 [1,0,0,1,0,0|1,0,0]=3 648 B11R2.1 CN1C=CC2=CC=CC=C21 HR136081 [1,0,0,1,0,0|0,0,2]=4 649 B11R2.1 CN1C=NC2=C1C=CC=C2 HR142304 [1,0,0,1,0,0|1,0,1]=4 650 B11R2.1 CN1N=CC2=CC=CC=C21 HR142400 [1,0,0,1,0,0|1,0,1]=4 651 B11R2.1 CN1N=NC2=C1C=CC=C2 HR143832 [1,0,0,1,0,0|2,0,0]=4 652 B11R2.1 ClC1CCC2=CC=CC=C21 HR121717 [1,0,0,1,0,0|2,0,0]=4 653 B11R2.1 NC1CCC2=CC=CC=C21 HR129567 [1,0,0,1,0,0|2,0,0]=4 654 B11R2.1 NC1CCC2=CC=CC=C21 HR130687 [1,0,0,1,0,0|2,0,0]=4 655 B11R2.1 NC1CCC2=CC=CC=C21 HR142302 [1,0,0,1,0,0|2,0,0]=4 656 B11R2.1 NC1CCc2ccccc21 HR109197 [1,0,0,1,0,0|2,0,0]=4 657 B11R2.1 NC1CCc2ccccc21 HR119533 [1,0,0,1,0,0|2,0,0]=4 658 B11R2.1 NC1CCc2ccccc21 HR132129 [1,0,0,1,0,0|2,0,0]=4 659 B11R2.1 O=C1CCC2=CC=CC=C12 HR123123 [1,0,0,1,0,0|2,0,0]=4 660 B11R2.1 OC1CCC2=CC=CC=C21 HR140159 [1,0,0,1,0,0|2,0,0]=4 661 B11R2.4 NC1CC1C2=CC=CC=C2 HR144421 [1,0,0,1,0,0|2,0,0]=4 662 B11R2.238 C1=CC=C(CC2CN2)C=C1 HR113274 [1,0,0,1,0,0|0,0,0]=2 663 B11R2.238 C1=CC=C(SC2CC2)C=C1 HR10736 [1,0,0,1,0,0|2,0,0]=4 664 B11R2.239 C1=CC(C2CNC2)=CC=N1 HR121871 [1,0,0,1,0,0|1,0,0]=3 665 B11R2.239 C1=CC=C(C2COC2)C=C1 HR112494 [1,0,0,1,0,0|1,0,0]=3 666 B11R2.239 c1ccc(C2CNC2)nc1 HR102331 [1,0,0,1,0,0|1,0,0]=3 667 B11R2.239 c1cncc(C2CNC2)c1 HR102014 [1,0,0,1,0,0|1,0,0]=3 668 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 HR110055 [0,1,0,1,0,0|1,0,1]=4 669 B13R2.4820 CC1=CC=CC2=C1NCCNC2 HR120840 [0,1,0,1,0,0|1,0,0]=3 670 B13R2.4820 ClC1=CC=CC2=C1NCCNC2 HR115785 [0,1,0,1,0,0|0,1,0]=3 671 B13R2.5180 O=C1CCC2=C(F)C(F)=CC=C12 HR146981 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.155 CN1CCC2=C(C=C(N)C=N2)C1 HR146736 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.328 Clc1cc(Cl)c2c(c1)CNCC2 HR142488 [0,1,0,1,0,0|0,1,0]=3 674 B13R2.328 Fc1cc(F)c2c(c1)CNCC2 HR142399 [0,1,0,1,0,0|0,0,0]=2 675 B13R2.3742 CN1N=CC2=C(F)C=C(Br)C=C21 HR153339 [0,1,0,1,0,0|1,0,1]=4 676 B13R2.3742 O=C1CCC2=C(F)C=C(F)C=C12 HR132532 [0,1,0,1,0,0|2,0,0]=4 677 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 HR31822 [0,1,0,1,0,0|2,0,0]=4 678 B13R2.57 BrCC1CCC2=CC=CC=C2O1 HR108939 [0,1,0,1,0,0|2,0,0]=4 679 B13R2.57 NCC1CCC2=C(C=CC=C2)O1 HR145894 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.57 NCC1CCC2=CC=CC=C2C1 HR101103 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.57 OCC1CCC2=CC=CC=C2N1 HR113619 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.57 OCC1CCC2=CC=CC=C2O1 HR104367 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.1613 COC1=C2CCNCC2=CC=C1 HR139678 [0,1,0,1,0,0|1,0,0]=3 684 B13R2.1613 COc1cccc2c1CCNC2 HR114366 [0,1,0,1,0,0|1,0,0]=3 685 B13R2.1613 N#CC1=CC=CC2=C1CCNC2 HR108447 [0,1,0,1,0,0|1,0,0]=3 686 B13R2.216 O=C1CC(C2=C(F)C=CC=C2)C1 HR150614 [0,1,0,1,0,0|1,0,0]=3 687 B13R2.222 CC1(C)CCC2=CC=CC=C2N1 HR105311 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.3587 Cc1ccccc1OCC2CO2 HR136652 [0,1,0,1,0,0|2,0,0]=4 689 B13R2.4848 CC1(C)CNC2=C(F)C=CC=C21 HR150318 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 HR140985 [0,1,0,1,0,0|1,1,0]=4 691 B13R2.5179 O=C1CCC2=C(O)C=CC=C2C1 HR134364 [0,1,0,1,0,0|2,0,0]=4 692 B13R2.18 BrC1=C(C2CCCN2)C=CC=C1 HR120735 [0,1,0,1,0,0|1,1,0]=4 693 B13R2.18 ClC1=C(C2CCNC2)C=CC=C1 HR104270 [0,1,0,1,0,0|0,1,0]=3 694 B13R2.18 FC1=C(C2CCCN2)C=CC=C1 HR137808 [0,1,0,1,0,0|1,0,0]=3 695 B13R2.18 FC1=C(C2CCNC2)C=CC=C1 HR120261 [0,1,0,1,0,0|0,0,0]=2 696 B13R2.26 CNCC1=NC2=C(C=CC=C2)O1 HR110318 [0,1,0,1,0,0|1,0,1]=4 697 B13R2.342 CC1=C2CCNC(=O)C2=CC=C1 HR121440 [0,1,0,1,0,0|1,0,1]=4 698 B13R2.342 NC1=C2CCNC(=O)C2=CC=C1 HR32258 [0,1,0,1,0,0|1,0,1]=4 699 B13R2.342 NC1CCOC2=C(F)C=CC=C21 HR109522 [0,1,0,1,0,0|2,0,0]=4 700 B13R2.342 NC1CCOC2=C(F)C=CC=C21 HR109841 [0,1,0,1,0,0|2,0,0]=4 701 B13R2.342 NC1CCOC2=C(F)C=CC=C21 HR110162 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.342 NC1COCC2=C(F)C=CC=C21 HR107953 [0,1,0,1,0,0|2,0,0]=4 703 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 HR9712 [0,1,0,1,0,0|2,0,0]=4 704 B13R2.342 O=C1NCCC2=C(Br)C=CC=C12 HR155153 [0,1,0,1,0,0|0,1,1]=4 705 B13R2.342 O=C1NCCC2=C(F)C=CC=C12 HR120038 [0,1,0,1,0,0|0,0,1]=3 706 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 HR121118 [0,1,0,1,0,0|1,0,1]=4 707 B13R2.342 OC1=CC=CC2=C1CCCC2O HR101138 [0,1,0,1,0,0|2,0,0]=4 708 B13R2.5225 FC1=C(OC2CNC2)C=CC=C1 HR150270 [0,1,0,1,0,0|0,0,0]=2 709 B13R2.3097 NC(c1ccccc1F)C2CC2 HR150325 [0,1,0,1,0,0|1,0,0]=3 710 B13R2.3097 NC(c1ccccc1F)C2CC2 HR150537 [0,1,0,1,0,0|1,0,0]=3 711 B13R2.4825 CC1CC2=C(F)C=CC=C2C1=O HR111853 [0,1,0,1,0,0|2,0,0]=4 712 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 HR122396 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.12 CCCCC1=CC=CS1 HR153368 [1,0,0,0,1,0|2,0,0]=4 714 B9R1.12 CCCCC1=CSC=C1 HR104000 [1,0,0,0,1,0|2,0,0]=4