0 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.182 CCNc1cc(ccc1C)O TS41041 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.182 CCNc1cc(ccc1Cl)Cl TS51022 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.182 CCOc1cc(ccc1N)F TS51362 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.182 CCOc1cc(ccc1O)C TS10189 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.182 CNCc1cc(ccc1Cl)Cl TS33078 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.182 COCc1cc(ccc1Br)F TS22533 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.182 COCc1cc(ccc1F)Br TS22532 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.182 Cc1ccc(c(c1)CC#N)C TS07114 [0,0,0,0,0,0|0,0,2]=2 12 B11R1.182 Cc1ccc(c(c1)CCN)C TS07614 [0,0,0,0,0,0|0,0,0]=0 13 B11R1.182 Cc1ccc(c(c1)CCO)C TS40917 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.182 Cc1ccc(c(c1)N=C=O)C TS47278 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.182 Cc1ccc(c(c1)N=C=O)F TS32781 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.182 Cc1ccc(c(c1)N=C=S)C TS42622 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.182 Cc1ccc(c(c1)N=C=S)F TS12397 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.182 Cc1ccc(cc1CC#N)F TS40737 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.182 Cc1ccc(cc1N=C=O)Cl TS12427 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.182 Cc1ccc(cc1N=C=S)Cl TS15206 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.182 Cc1ccc(cc1N=C=S)F TS12391 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.182 [C-]#[N+]Cc1cc(ccc1F)Br TS21596 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.182 c1cc(c(cc1Cl)CC#N)Cl TS48828 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.182 c1cc(c(cc1Cl)CC#N)F TS60082 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.182 c1cc(c(cc1Cl)CCN)Cl TS51018 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.182 c1cc(c(cc1Cl)CCO)Cl TS51229 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.182 c1cc(c(cc1F)CC#N)Br TS21597 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.182 c1cc(c(cc1F)CC#N)Cl TS09286 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.182 c1cc(c(cc1F)CC#N)F TS41234 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.182 c1cc(c(cc1N)CCO)N TS28052 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.4 C=CCc1ccccc1O TS36846 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.4 CCCc1ccccc1C TS05927 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.4 CCCc1ccccc1N TS36961 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.4 CCCc1ccccc1O TS06077 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.4 CCCn1ccccc1=O TS37115 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.4 CCNc1ccccc1C TS06011 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.4 CCNc1ccccc1F TS37294 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.4 CCOc1ccccc1Br TS39657 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.4 CCOc1ccccc1Cl TS41727 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.4 CCOc1ccccc1F TS37374 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.4 CCOc1ccccc1N TS37118 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.4 CCOc1ccccc1N TS45700 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.4 CCOc1ccccc1O TS06253 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.4 CCOc1ccccc1S TS41408 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.4 CCSc1ccccc1Br TS49221 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.4 CCSc1ccccc1O TS41412 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.4 CNCc1ccccc1Cl TS56333 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.4 CNCc1ccccc1O TS45699 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.4 COCc1ccccc1F TS37369 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.4 Cc1c(cccn1)CCO TS37129 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.4 Cc1ccccc1CC#N TS05669 [1,0,0,0,0,0|0,0,2]=3 54 B10R1.4 Cc1ccccc1CC=C TS05766 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.4 Cc1ccccc1CCBr TS54167 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.4 Cc1ccccc1CCO TS37017 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.4 Cc1ccccc1CNC TS36965 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.4 Cc1ccccc1N=C=O TS16709 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.4 Cc1ccccc1N=C=S TS40763 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.4 Cc1ccccc1NC=O TS36923 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,0,0,0,0,0|1,0,0]=2 77 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.10 CCCc1cccc(c1)C TS36863 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.10 CCCc1cccc(c1)O TS70692 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.10 CCCc1cccc(n1)N TS55636 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.10 CCCc1ccnc(c1)N TS06105 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.10 CCNc1cccc(c1)C TS06008 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.10 CCOc1cccc(c1)C TS06098 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.10 CCOc1cccc(c1)F TS37372 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.10 CCOc1cccc(c1)N TS37121 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.10 CCOc1cccc(c1)O TS06261 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.10 CCOc1cccc(c1)S TS41409 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.10 CNCc1cccc(c1)N TS37043 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.10 COCc1cccc(c1)F TS37370 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.10 Cc1cccc(c1)CC#N TS05673 [1,0,0,0,0,0|0,0,2]=3 106 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,0,0,0,0,0|1,0,0]=2 107 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,0,0,0,0,0|0,0,0]=1 108 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,0,0,0,0,0|0,0,0]=1 109 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.10 Cc1cccc(c1)N=C=S TS07590 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.10 Cc1cccc(c1)NC=O TS36924 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.10 Cc1cccc(n1)CCO TS37109 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.10 Cc1cccc(n1)CNC TS65175 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.10 c1c(cncc1Br)CNN TS92508 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [1,0,0,0,0,0|1,0,2]=4 118 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [1,0,0,0,0,0|1,0,2]=4 125 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,0,0,0,0,0|1,0,0]=2 128 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [1,0,0,0,0,0|1,0,2]=4 132 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,0,0,0,0,0|1,0,0]=2 135 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.10 c1cc(cc(c1)F)CON TS93853 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [1,0,0,0,0,0|1,0,2]=4 139 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,0,0,0,0,0|1,0,0]=2 141 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.10 c1cnc(cc1CCN)Br TS49022 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,0,0,0,0,0|0,0,0]=1 147 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.30 CCc1cc(ccc1I)Br TS76460 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.30 CCc1cc(ccc1N)Br TS25964 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.30 CCc1cc(ccc1N)Br TS37843 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.30 CCc1cc(ccc1N)I TS27559 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.30 COc1cc(ccc1Br)F TS65379 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.30 COc1cc(ccc1Br)I TS01774 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.30 COc1cc(ccc1Br)N TS00018 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.30 COc1cc(ccc1Br)O TS00019 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.30 COc1cc(ccc1Cl)F TS09281 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.30 COc1cc(ccc1Cl)N TS10907 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.30 COc1cc(ccc1F)Br TS19895 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.30 COc1cc(ccc1F)F TS65344 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.30 COc1cc(ccc1N)Br TS70959 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.30 COc1cc(ccc1N)F TS93806 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.30 COc1cc(ccc1N)N TS56779 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.30 COc1cc(ccc1O)F TS37549 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.30 COc1cc(ccc1O)O TS37335 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.30 Cc1cc(c(nn1)O)CN TS88743 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [1,0,0,0,0,0|0,0,2]=3 176 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [1,0,0,0,0,0|0,0,2]=3 177 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [1,0,0,0,0,0|1,0,2]=4 178 B10R1.30 Cc1ccc(c(c1)C#N)F TS01008 [1,0,0,0,0,0|1,0,2]=4 179 B10R1.30 Cc1ccc(c(c1)C#N)N TS47441 [1,0,0,0,0,0|1,0,2]=4 180 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [1,0,0,0,0,0|0,0,2]=3 181 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [1,0,0,0,0,0|1,0,1]=3 182 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [1,0,0,0,0,0|1,0,1]=3 183 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [1,0,0,0,0,0|1,0,0]=2 186 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [1,0,0,0,0,0|1,0,0]=2 187 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [1,0,0,0,0,0|0,0,0]=1 188 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,0,0,0,0,0|1,0,0]=2 189 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [1,0,0,0,0,0|1,0,0]=2 190 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,0,0,0,0,0|1,0,0]=2 192 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.30 Cc1ccc(cc1C#N)Br TS09796 [1,0,0,0,0,0|1,0,2]=4 200 B10R1.30 Cc1ccc(cc1C#N)Cl TS71505 [1,0,0,0,0,0|1,0,2]=4 201 B10R1.30 Cc1ccc(cc1C#N)F TS65162 [1,0,0,0,0,0|1,0,2]=4 202 B10R1.30 Cc1ccc(cc1C#N)N TS36681 [1,0,0,0,0,0|1,0,2]=4 203 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.30 Cc1ccc(cc1CN)F TS37290 [1,0,0,0,0,0|1,0,0]=2 208 B10R1.30 Cc1ccc(cc1CO)F TS37367 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.30 Cc1ccc(cc1NN)F TS03301 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.30 c1c(cnc(c1CN)F)Br TS87183 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [1,0,0,0,0,0|2,0,0]=3 226 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.30 c1cc(c(cc1Cl)NN)Cl TS21554 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.30 c1cc(c(cc1Cl)NN)F TS07822 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [1,0,0,0,0,0|2,0,0]=3 239 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [1,0,0,0,0,0|2,0,0]=3 245 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [1,0,0,0,0,0|2,0,0]=3 246 B12R1.127 Cc1ccc(c(c1)CC(=O)C)C TS42485 [0,1,0,0,0,0|1,0,1]=3 247 B12R1.127 Cc1ccc(c(c1)CC(C)C)C TS42510 [0,1,0,0,0,0|1,0,0]=2 248 B12R1.127 Cc1ccc(c(c1)NC(=S)N)C TS14659 [0,1,0,0,0,0|1,0,1]=3 249 B12R1.127 Cc1ccc(c(c1)OC(=O)C)C TS11870 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.127 Cc1ccc(cc1CC(=O)O)F TS44845 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.127 Cc1ccc(cc1NC(=S)N)Cl TS38028 [0,1,0,0,0,0|2,0,1]=4 252 B12R1.127 Cc1ccc(cc1NC(=S)N)F TS48589 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.268 COc1ccc(cc1CC#N)Br TS24107 [0,1,0,0,0,0|1,0,2]=4 254 B12R1.268 COc1ccc(cc1CC#N)F TS42875 [0,1,0,0,0,0|1,0,2]=4 255 B12R1.268 COc1ccc(cc1CCN)Br TS76464 [0,1,0,0,0,0|1,0,0]=2 256 B12R1.268 COc1ccc(cc1CCN)F TS38898 [0,1,0,0,0,0|1,0,0]=2 257 B12R1.268 Cc1ccc(c(c1)N=C=O)OC TS42568 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.270 CCOc1cc(ccc1O)CN TS43244 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.270 CCOc1cc(ccc1O)CO TS12528 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.270 COc1ccc(c(c1)CC#N)F TS42876 [0,1,0,0,0,0|1,0,2]=4 261 B12R1.354 CCC(=O)c1cc(ccc1O)C TS42743 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.354 CC[C@H](c1cc(ccc1C)C)N TS11748 [0,1,0,0,0,0|1,0,0]=2 263 B12R1.354 Cc1ccc(c(c1)C(=O)CBr)O TS52794 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.354 Cc1ccc(c(c1)C(=O)NN)N TS12037 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.374 CCCCc1c(ncc(n1)C)C TS63550 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.374 Cc1ccc(c(c1)SCCO)C TS15031 [0,1,0,0,0,0|1,0,0]=2 267 B12R1.497 c1cc(c(c(c1N)CCO)F)F TS45593 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.1123 Cc1cc(c(cc1C)CC#N)C TS42079 [0,1,0,0,0,0|0,0,2]=3 269 B12R1.1123 Cc1cc(c(cc1C)N=C=S)C TS14093 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.1123 c1c(c(cc(c1F)F)F)CCO TS13782 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.1123 c1c(c(cc(c1O)O)O)CCN TS27983 [0,1,0,0,0,0|2,0,0]=3 272 B12R1.1123 c1c(c(cc(c1O)O)O)CCN TS38879 [0,1,0,0,0,0|2,0,0]=3 273 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [0,0,0,1,0,0|1,0,0]=2 274 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [0,0,0,1,0,0|2,0,0]=3 275 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [0,0,0,1,0,0|0,0,0]=1 276 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [0,0,0,1,0,0|2,0,0]=3 277 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [0,0,0,1,0,0|2,0,0]=3 278 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [0,0,0,1,0,0|2,0,0]=3 279 B12R2.24 Cc1ccc2c(c1)NCCO2 TS48809 [0,0,0,1,0,0|3,0,0]=4 280 B12R2.24 Cc1ccc2c(n1)CCCC2 TS07372 [0,0,0,1,0,0|2,0,0]=3 281 B12R2.24 Cc1ccc2c(n1)NCCC2 TS40680 [0,0,0,1,0,0|3,0,0]=4 282 B12R2.24 c1c(cnc2c1CCNC2)Br TS86787 [0,0,0,1,0,0|2,0,0]=3 283 B12R2.24 c1c2c(nc(n1)Cl)CCNC2 TS90397 [0,0,0,1,0,0|3,0,0]=4 284 B12R2.24 c1cc(nc2c1CNCC2)Cl TS00905 [0,0,0,1,0,0|2,0,0]=3 285 B12R2.24 c1cc2c(cc1Br)CCCN2 TS86204 [0,0,0,1,0,0|3,0,0]=4 286 B12R2.24 c1cc2c(cc1Br)CCCO2 TS21450 [0,0,0,1,0,0|3,0,0]=4 287 B12R2.24 c1cc2c(cc1Br)CCNC2 TS27817 [0,0,0,1,0,0|1,0,0]=2 288 B12R2.24 c1cc2c(cc1Br)CCNC2 TS90722 [0,0,0,1,0,0|1,0,0]=2 289 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55650 [0,0,0,1,0,0|3,0,0]=4 290 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55651 [0,0,0,1,0,0|3,0,0]=4 291 B12R2.24 c1cc2c(cc1Br)NCCC2 TS55652 [0,0,0,1,0,0|3,0,0]=4 292 B12R2.24 c1cc2c(cc1Br)OCOC2 TS44635 [0,0,0,1,0,0|3,0,0]=4 293 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS00906 [0,0,0,1,0,0|1,0,0]=2 294 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS60093 [0,0,0,1,0,0|1,0,0]=2 295 B12R2.24 c1cc2c(cc1Cl)NCCC2 TS38541 [0,0,0,1,0,0|3,0,0]=4 296 B12R2.24 c1cc2c(cc1F)CCNC2 TS10052 [0,0,0,1,0,0|1,0,0]=2 297 B12R2.24 c1cc2c(cc1F)CCNC2 TS59734 [0,0,0,1,0,0|1,0,0]=2 298 B12R2.24 c1cc2c(cc1F)CNCC2 TS10056 [0,0,0,1,0,0|3,0,0]=4 299 B12R2.24 c1cc2c(cc1F)CNCC2 TS85147 [0,0,0,1,0,0|3,0,0]=4 300 B12R2.24 c1cc2c(cc1I)CNCC2 TS35828 [0,0,0,1,0,0|3,0,0]=4 301 B12R2.24 c1cc2c(cc1N)CCCC2 TS40565 [0,0,0,1,0,0|2,0,0]=3 302 B12R2.24 c1cc2c(cc1N)CNCC2 TS40670 [0,0,0,1,0,0|3,0,0]=4 303 B12R2.24 c1cc2c(cc1N)NCCC2 TS01293 [0,0,0,1,0,0|3,0,0]=4 304 B12R2.24 c1cc2c(cc1O)CCCC2 TS16959 [0,0,0,1,0,0|2,0,0]=3 305 B12R2.24 c1cc2c(cc1O)CCCC2 TS94705 [0,0,0,1,0,0|2,0,0]=3 306 B12R2.24 c1cc2c(cc1O)CCCN2 TS01238 [0,0,0,1,0,0|3,0,0]=4 307 B12R2.24 c1cc2c(cc1O)CCNC2 TS46766 [0,0,0,1,0,0|1,0,0]=2 308 B12R2.24 c1cc2c(cc1O)CCNC2 TS52947 [0,0,0,1,0,0|1,0,0]=2 309 B12R2.221 CC1=CC=C(C2C1CCC2)C TS82363 [0,0,0,1,0,0|1,0,2]=4 310 B12R2.221 Cc1ccc(c2c1CC=C2)C TS07007 [0,0,0,1,0,0|1,0,1]=3 311 B12R2.221 Cc1ccc(c2c1CCC2)O TS07458 [0,0,0,1,0,0|2,0,0]=3 312 B12R2.221 c1cc(c2c(c1O)CCC2)Cl TS12616 [0,0,0,1,0,0|3,0,0]=4 313 B12R2.606 Cc1ccc2c(c1)nc([nH]2)N TS40540 [0,0,0,1,0,0|2,0,1]=4 314 B12R2.606 Cc1ccc2c(c1)nc(s2)N TS08953 [0,0,0,1,0,0|2,0,1]=4 315 B12R2.606 Cc1ccc2c(c1)sc(n2)N TS16301 [0,0,0,1,0,0|2,0,1]=4 316 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 TS03251 [0,0,0,1,0,0|2,0,1]=4 317 B12R2.606 c1cc2c(cc1Br)CC(C2)N TS71463 [0,0,0,1,0,0|1,0,0]=2 318 B12R2.606 c1cc2c(cc1Br)CC(C2)O TS59904 [0,0,0,1,0,0|2,0,0]=3 319 B12R2.606 c1cc2c(cc1Cl)CC(=O)C2 TS12308 [0,0,0,1,0,0|2,0,1]=4 320 B12R2.606 c1cc2c(cc1F)CC(=O)C2 TS40837 [0,0,0,1,0,0|2,0,1]=4 321 B10R1.130 Cc1c(sc(n1)C)CCN TS41678 [0,0,0,0,1,0|2,0,0]=3 322 B10R1.130 Cc1c(sc(n1)N)CCN TS10889 [0,0,0,0,1,0|3,0,0]=4 323 B10R1.130 Cc1cc(n(n1)CCN)C TS06390 [0,0,0,0,1,0|2,0,0]=3 324 B10R1.187 C1=CC(=O)N(C1=O)CCN TS63343 [0,0,0,0,1,0|3,0,0]=4 325 B10R1.187 Cc1c(c(n[nH]1)C)CCBr TS19517 [0,0,0,0,1,0|3,0,0]=4 326 B10R1.187 Cc1c(c(n[nH]1)C)CCCl TS41996 [0,0,0,0,1,0|3,0,0]=4 327 B10R1.187 Cc1c(c(n[nH]1)C)CCI TS62798 [0,0,0,0,1,0|3,0,0]=4 328 B10R1.187 Cc1c(c(on1)C)CCI TS16726 [0,0,0,0,1,0|3,0,0]=4 329 B9R1.8 C#CCc1ccccc1 TS32230 [2,0,0,0,0,0|1,0,1]=4 330 B9R1.8 C=CCc1ccccc1 TS32347 [2,0,0,0,0,0|1,0,1]=4 331 B9R1.8 CCC[n+]1ccccc1 TS38202 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.8 CCCc1ccccc1 TS04832 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.8 CCCc1ccccn1 TS85359 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.8 CCNc1ccccc1 TS04869 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.8 CCOc1ccccc1 TS04896 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.8 CCSc1ccccc1 TS06299 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.8 CNCc1ccccc1 TS01938 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.8 COCc1ccccc1 TS04897 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.8 CSCc1ccccc1 TS06309 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.8 c1cc(cnc1)CCN TS41995 [2,0,0,0,0,0|1,0,0]=3 342 B9R1.8 c1cc(cnc1)CCN TS65667 [2,0,0,0,0,0|1,0,0]=3 343 B9R1.8 c1cc(cnc1)CCO TS39614 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.8 c1cc(cnc1)CNN TS87066 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.8 c1ccc(cc1)C=CN TS55760 [2,0,0,0,0,0|0,0,2]=4 346 B9R1.8 c1ccc(cc1)C=NN TS04817 [2,0,0,0,0,0|1,0,1]=4 347 B9R1.8 c1ccc(cc1)CC#N TS04678 [2,0,0,0,0,0|0,0,2]=4 348 B9R1.8 c1ccc(cc1)CCBr TS15419 [2,0,0,0,0,0|1,0,0]=3 349 B9R1.8 c1ccc(cc1)CCCl TS37454 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.8 c1ccc(cc1)CCI TS25156 [2,0,0,0,0,0|1,0,0]=3 351 B9R1.8 c1ccc(cc1)CCN TS22602 [2,0,0,0,0,0|0,0,0]=2 352 B9R1.8 c1ccc(cc1)CCN TS65627 [2,0,0,0,0,0|0,0,0]=2 353 B9R1.8 c1ccc(cc1)CCO TS04901 [2,0,0,0,0,0|1,0,0]=3 354 B9R1.8 c1ccc(cc1)CCS TS06307 [2,0,0,0,0,0|1,0,0]=3 355 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [2,0,0,0,0,0|1,0,0]=3 356 B9R1.8 c1ccc(cc1)CNN TS09177 [2,0,0,0,0,0|1,0,0]=3 357 B9R1.8 c1ccc(cc1)CNN TS21284 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.8 c1ccc(cc1)CNO TS01934 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.8 c1ccc(cc1)CNO TS93618 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.8 c1ccc(cc1)SCCl TS42004 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [2,0,0,0,0,0|1,1,0]=4 364 B9R1.8 c1ccnc(c1)CCCl TS37532 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.8 c1ccnc(c1)CCN TS04914 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.8 c1ccnc(c1)CCN TS17997 [2,0,0,0,0,0|1,0,0]=3 367 B9R1.8 c1ccnc(c1)CCO TS04967 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.8 c1ccnc(c1)CNN TS87756 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.8 c1cnc(cn1)CCN TS32564 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.8 c1cnccc1CCN TS09522 [2,0,0,0,0,0|1,0,0]=3 371 B9R1.8 c1cnccc1CCO TS70737 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.8 c1cnccc1CCS TS06395 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.8 c1cnccc1CCS TS46022 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.8 c1cnccc1CNN TS85585 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.8 c1cncnc1CCN TS86707 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.15 CC[n+]1ccccc1Br TS33546 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.15 CCc1c(nccn1)C TS04922 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.15 CCc1ccccc1Br TS15420 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.15 CCc1ccccc1C TS16337 [2,0,0,0,0,0|0,0,0]=2 381 B9R1.15 CCc1ccccc1Cl TS37450 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.15 CCc1ccccc1I TS25157 [2,0,0,0,0,0|1,0,0]=3 383 B9R1.15 CCc1ccccc1N TS32474 [2,0,0,0,0,0|1,0,0]=3 384 B9R1.15 CCc1ccccc1O TS04900 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.15 CCc1ccccc1S TS06304 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.15 CCc1cccnc1C TS32475 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.15 CCc1ccncc1C TS32464 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.15 CCc1cnccc1Br TS92322 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.15 CCc1cnccc1C TS32480 [2,0,0,0,0,0|1,0,0]=3 390 B9R1.15 CNc1ccccc1Cl TS37531 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.15 CNc1ccccc1F TS56413 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.15 CNc1ccccc1N TS01587 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.15 CNc1ccccc1N TS41998 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.15 CNc1ccccc1N TS60152 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.15 CNc1ccccc1O TS04968 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.15 COc1ccccc1Br TS00023 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.15 COc1ccccc1Cl TS37688 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.15 COc1ccccc1F TS60288 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.15 COc1ccccc1I TS09308 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.15 COc1ccccc1N TS29238 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.15 COc1ccccc1N TS59329 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.15 COc1ccccc1P TS06425 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.15 COc1ccccc1S TS37393 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.15 COc1ccccc1[Zn+] TS74540 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.15 CSc1ccccc1Br TS19526 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.15 CSc1ccccc1Cl TS42002 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.15 CSc1ccccc1F TS06689 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.15 CSc1ccccc1I TS27990 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.15 CSc1ccccc1O TS37395 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.15 CSc1ccccc1[Zn+] TS76795 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.15 Cc1c(cccn1)CBr TS87803 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.15 Cc1c(cccn1)CCl TS90028 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.15 Cc1c(cccn1)CN TS32520 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.15 Cc1c(cccn1)CO TS04969 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.15 Cc1c(cccn1)OC TS04964 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.15 Cc1c(nccn1)CN TS92714 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.15 Cc1ccccc1C#C TS02442 [2,0,0,0,0,0|0,0,2]=4 418 B9R1.15 Cc1ccccc1C#N TS04680 [2,0,0,0,0,0|0,0,2]=4 419 B9R1.15 Cc1ccccc1C=C TS02453 [2,0,0,0,0,0|0,0,2]=4 420 B9R1.15 Cc1ccccc1C=O TS04808 [2,0,0,0,0,0|1,0,1]=4 421 B9R1.15 Cc1ccccc1CBr TS01133 [2,0,0,0,0,0|1,0,0]=3 422 B9R1.15 Cc1ccccc1CCl TS37456 [2,0,0,0,0,0|1,0,0]=3 423 B9R1.15 Cc1ccccc1CN TS04867 [2,0,0,0,0,0|0,0,0]=2 424 B9R1.15 Cc1ccccc1CO TS04907 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.15 Cc1ccccc1CS TS06308 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.15 Cc1ccccc1NC TS32471 [2,0,0,0,0,0|1,0,0]=3 427 B9R1.15 Cc1ccccc1NN TS60156 [2,0,0,0,0,0|1,0,0]=3 428 B9R1.15 Cc1ccccc1OC TS32508 [2,0,0,0,0,0|1,0,0]=3 429 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.15 Cc1cccnc1CCl TS91176 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.15 Cc1cccnc1CN TS32513 [2,0,0,0,0,0|1,0,0]=3 433 B9R1.15 Cc1cccnc1CO TS04977 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.15 Cc1cccnc1OC TS04965 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.15 Cc1ccncc1CCl TS88594 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.15 Cc1ccncc1CN TS04915 [2,0,0,0,0,0|1,0,0]=3 437 B9R1.15 Cc1ccncc1CO TS04980 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.15 Cc1ccncc1NC TS04920 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.15 Cc1ccnnc1CN TS92264 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.15 Cc1cnccc1CCl TS89010 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.15 Cc1cnccc1CN TS32519 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.15 Cc1cnccc1CO TS91100 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.15 Cc1cnncc1CN TS92054 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.15 c1cc(c(nc1)CN)F TS86282 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.15 c1cc(c(nc1)F)CN TS08409 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.15 c1cc(c(nc1)O)CN TS42244 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [2,0,0,0,0,0|1,0,0]=3 456 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [2,0,0,0,0,0|1,0,0]=3 457 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [2,0,0,0,0,0|1,0,0]=3 458 B9R1.15 c1ccc(c(c1)CN)F TS65429 [2,0,0,0,0,0|1,0,0]=3 459 B9R1.15 c1ccc(c(c1)CN)I TS53416 [2,0,0,0,0,0|1,0,0]=3 460 B9R1.15 c1ccc(c(c1)CN)N TS39642 [2,0,0,0,0,0|1,0,0]=3 461 B9R1.15 c1ccc(c(c1)CN)O TS04954 [2,0,0,0,0,0|1,0,0]=3 462 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.15 c1ccc(c(c1)CO)F TS36110 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.15 c1ccc(c(c1)CO)I TS01080 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.15 c1ccc(c(c1)CO)N TS47468 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.15 c1ccc(c(c1)CO)O TS32604 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.15 c1ccc(c(c1)CO)S TS37394 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.15 c1ccc(c(c1)CS)F TS06685 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.15 c1ccc(c(c1)NN)F TS01033 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.15 c1ccc(c(c1)NN)F TS01034 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.15 c1cncc(c1N)CN TS09431 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.2 CC[n+]1cccc(c1)O TS38523 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.2 CCc1cc(cnc1)Br TS91617 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.2 CCc1cccc(c1)Br TS32764 [2,0,0,0,0,0|1,0,0]=3 480 B9R1.2 CCc1cccc(c1)C TS04835 [2,0,0,0,0,0|0,0,0]=2 481 B9R1.2 CCc1cccc(c1)N TS32463 [2,0,0,0,0,0|1,0,0]=3 482 B9R1.2 CCc1cccc(c1)O TS04895 [2,0,0,0,0,0|1,0,0]=3 483 B9R1.2 CCc1cccc(n1)C TS32466 [2,0,0,0,0,0|1,0,0]=3 484 B9R1.2 CCc1cccc(n1)N TS60098 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.2 CCc1ccnc(c1)Br TS48833 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.2 CCc1ccnc(c1)C TS32469 [2,0,0,0,0,0|1,0,0]=3 487 B9R1.2 CCc1ccnc(c1)N TS71108 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.2 CNc1cccc(c1)Br TS48829 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.2 CNc1cccc(c1)Cl TS37535 [2,0,0,0,0,0|2,0,0]=4 490 B9R1.2 CNc1cccc(c1)F TS70598 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.2 COc1cccc(c1)Br TS00028 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.2 COc1cccc(c1)Cl TS37686 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.2 COc1cccc(c1)F TS70591 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.2 COc1cccc(c1)I TS39445 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.2 COc1cccc(c1)N TS02081 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.2 COc1cccc(c1)N TS11191 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.2 COc1cccc(c1)O TS39714 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.2 COc1cccc(c1)S TS70650 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.2 CSc1cccc(c1)Br TS60340 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.2 CSc1cccc(c1)Cl TS42003 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.2 CSc1cccc(c1)F TS60012 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.2 CSc1cccc(c1)I TS27987 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.2 CSc1cccc(c1)N TS02674 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.2 Cc1cc(cnc1)CCl TS46377 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.2 Cc1cc(cnc1)CO TS04972 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.2 Cc1cc(cnc1)OC TS04960 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.2 Cc1cc(nnc1)CN TS92511 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.2 Cc1cccc(c1)C#C TS32229 [2,0,0,0,0,0|0,0,2]=4 510 B9R1.2 Cc1cccc(c1)C#N TS02843 [2,0,0,0,0,0|0,0,2]=4 511 B9R1.2 Cc1cccc(c1)C=C TS70680 [2,0,0,0,0,0|0,0,2]=4 512 B9R1.2 Cc1cccc(c1)CBr TS00037 [2,0,0,0,0,0|1,0,0]=3 513 B9R1.2 Cc1cccc(c1)CCl TS37460 [2,0,0,0,0,0|1,0,0]=3 514 B9R1.2 Cc1cccc(c1)CN TS04866 [2,0,0,0,0,0|0,0,0]=2 515 B9R1.2 Cc1cccc(c1)CO TS04903 [2,0,0,0,0,0|1,0,0]=3 516 B9R1.2 Cc1cccc(c1)CS TS06306 [2,0,0,0,0,0|1,0,0]=3 517 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [2,0,0,0,0,0|1,0,0]=3 518 B9R1.2 Cc1cccc(c1)NC TS32467 [2,0,0,0,0,0|1,0,0]=3 519 B9R1.2 Cc1cccc(c1)NN TS04918 [2,0,0,0,0,0|1,0,0]=3 520 B9R1.2 Cc1cccc(c1)NN TS41997 [2,0,0,0,0,0|1,0,0]=3 521 B9R1.2 Cc1cccc(c1)OC TS32509 [2,0,0,0,0,0|1,0,0]=3 522 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.2 Cc1cccc(n1)CBr TS30360 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.2 Cc1cccc(n1)CBr TS48832 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.2 Cc1cccc(n1)CCl TS46378 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.2 Cc1cccc(n1)CN TS01962 [2,0,0,0,0,0|1,0,0]=3 528 B9R1.2 Cc1cccc(n1)CO TS04961 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.2 Cc1cccc(n1)OC TS00087 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.2 Cc1ccnc(c1)CN TS04912 [2,0,0,0,0,0|1,0,0]=3 531 B9R1.2 Cc1ccnc(c1)OC TS04955 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.2 Cc1ccnc(n1)CN TS87070 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.2 c1c(cncc1Br)CN TS49021 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.2 c1c(cncc1F)CN TS90364 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [2,0,0,0,0,0|1,0,0]=3 539 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [2,0,0,0,0,0|1,0,0]=3 540 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [2,0,0,0,0,0|1,0,0]=3 546 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.2 c1cc(cc(c1)F)CN TS39435 [2,0,0,0,0,0|1,0,0]=3 550 B9R1.2 c1cc(cc(c1)F)CO TS39434 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.2 c1cc(cc(c1)F)CS TS06688 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.2 c1cc(cc(c1)I)CN TS53419 [2,0,0,0,0,0|1,0,0]=3 554 B9R1.2 c1cc(cc(c1)I)CN TS73918 [2,0,0,0,0,0|1,0,0]=3 555 B9R1.2 c1cc(cc(c1)I)CO TS53549 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.2 c1cc(cc(c1)N)CN TS32516 [2,0,0,0,0,0|1,0,0]=3 557 B9R1.2 c1cc(cc(c1)N)CO TS59603 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.2 c1cc(cc(c1)O)CO TS32602 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.2 c1cnc(cc1Br)CN TS39553 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.2 c1cnc(cc1Br)CN TS87352 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.2 c1cnc(cc1CN)Cl TS06803 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.2 c1cnc(cc1CN)N TS03001 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.2 c1cnc(cc1Cl)CN TS37691 [2,0,0,0,0,0|2,0,0]=4 567 B9R1.2 c1cnc(cc1Cl)CN TS44724 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [2,0,0,0,0,0|2,0,0]=4 569 B9R1.69 Cc1c(cc(cn1)Br)N TS49019 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.69 Cc1c(cc(cn1)Cl)N TS88641 [2,0,0,0,0,0|2,0,0]=4 571 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [2,0,0,0,0,0|2,0,0]=4 572 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [2,0,0,0,0,0|2,0,0]=4 573 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [2,0,0,0,0,0|2,0,0]=4 574 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [2,0,0,0,0,0|2,0,0]=4 575 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [2,0,0,0,0,0|1,0,0]=3 577 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [2,0,0,0,0,0|2,0,0]=4 578 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [2,0,0,0,0,0|2,0,0]=4 579 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [2,0,0,0,0,0|2,0,0]=4 580 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [2,0,0,0,0,0|2,0,0]=4 581 B9R1.69 Cc1cc(ccc1Br)F TS85460 [2,0,0,0,0,0|2,0,0]=4 582 B9R1.69 Cc1cc(ccc1Br)I TS08348 [2,0,0,0,0,0|2,0,0]=4 583 B9R1.69 Cc1cc(ccc1Br)N TS09584 [2,0,0,0,0,0|2,0,0]=4 584 B9R1.69 Cc1cc(ccc1Br)O TS09587 [2,0,0,0,0,0|2,0,0]=4 585 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [2,0,0,0,0,0|2,0,0]=4 590 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.69 Cc1cc(ccc1F)Br TS16784 [2,0,0,0,0,0|2,0,0]=4 592 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [2,0,0,0,0,0|2,0,0]=4 593 B9R1.69 Cc1cc(ccc1F)F TS22993 [2,0,0,0,0,0|2,0,0]=4 594 B9R1.69 Cc1cc(ccc1F)I TS65051 [2,0,0,0,0,0|2,0,0]=4 595 B9R1.69 Cc1cc(ccc1F)N TS36056 [2,0,0,0,0,0|2,0,0]=4 596 B9R1.69 Cc1cc(ccc1F)O TS71121 [2,0,0,0,0,0|2,0,0]=4 597 B9R1.69 Cc1cc(ccc1F)S TS06691 [2,0,0,0,0,0|2,0,0]=4 598 B9R1.69 Cc1cc(ccc1I)Br TS59717 [2,0,0,0,0,0|2,0,0]=4 599 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [2,0,0,0,0,0|2,0,0]=4 600 B9R1.69 Cc1cc(ccc1I)F TS71539 [2,0,0,0,0,0|2,0,0]=4 601 B9R1.69 Cc1cc(ccc1I)I TS78661 [2,0,0,0,0,0|2,0,0]=4 602 B9R1.69 Cc1cc(ccc1N)Br TS23566 [2,0,0,0,0,0|2,0,0]=4 603 B9R1.69 Cc1cc(ccc1N)Br TS93925 [2,0,0,0,0,0|2,0,0]=4 604 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [2,0,0,0,0,0|2,0,0]=4 605 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [2,0,0,0,0,0|2,0,0]=4 606 B9R1.69 Cc1cc(ccc1N)I TS71186 [2,0,0,0,0,0|2,0,0]=4 607 B9R1.69 Cc1cc(ccc1N)N TS00178 [2,0,0,0,0,0|2,0,0]=4 608 B9R1.69 Cc1cc(ccc1N)N TS17999 [2,0,0,0,0,0|2,0,0]=4 609 B9R1.69 Cc1cc(ccc1N)N TS23083 [2,0,0,0,0,0|2,0,0]=4 610 B9R1.69 Cc1cc(ccc1N)O TS02998 [2,0,0,0,0,0|2,0,0]=4 611 B9R1.69 Cc1cc(ccc1O)Br TS01121 [2,0,0,0,0,0|2,0,0]=4 612 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [2,0,0,0,0,0|2,0,0]=4 613 B9R1.69 Cc1cc(ccc1O)F TS09704 [2,0,0,0,0,0|2,0,0]=4 614 B9R1.69 Cc1cc(ccc1O)I TS53550 [2,0,0,0,0,0|2,0,0]=4 615 B9R1.69 Cc1cc(ccc1O)N TS08867 [2,0,0,0,0,0|2,0,0]=4 616 B9R1.69 Cc1cc(ccc1O)O TS32600 [2,0,0,0,0,0|2,0,0]=4 617 B9R1.69 Cc1cc(ccc1O)S TS70667 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [2,0,0,0,0,0|2,0,0]=4 619 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [2,0,0,0,0,0|2,0,0]=4 620 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [2,0,0,0,0,0|1,0,0]=3 621 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [2,0,0,0,0,0|2,0,0]=4 626 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [2,0,0,0,0,0|1,0,0]=3 628 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [2,0,0,0,0,0|0,0,0]=2 629 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [2,0,0,0,0,0|1,0,0]=3 630 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [2,0,0,0,0,0|1,0,0]=3 631 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [2,0,0,0,0,0|1,0,0]=3 632 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [2,0,0,0,0,0|1,0,0]=3 633 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [2,0,0,0,0,0|1,0,0]=3 634 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [2,0,0,0,0,0|1,0,0]=3 635 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [2,0,0,0,0,0|1,0,0]=3 636 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [2,0,0,0,0,0|1,0,0]=3 637 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [2,0,0,0,0,0|2,0,0]=4 638 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [2,0,0,0,0,0|1,0,0]=3 639 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [2,0,0,0,0,0|2,0,0]=4 641 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [2,0,0,0,0,0|2,0,0]=4 643 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [2,0,0,0,0,0|2,0,0]=4 644 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [2,0,0,0,0,0|2,0,0]=4 645 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [2,0,0,0,0,0|1,0,0]=3 646 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [2,0,0,0,0,0|2,0,0]=4 647 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [2,0,0,0,0,0|2,0,0]=4 648 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [2,0,0,0,0,0|2,0,0]=4 649 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [2,0,0,0,0,0|2,0,0]=4 650 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [2,0,0,0,0,0|1,0,0]=3 651 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [2,0,0,0,0,0|2,0,0]=4 653 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [2,0,0,0,0,0|1,0,0]=3 655 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [2,0,0,0,0,0|0,0,0]=2 656 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [2,0,0,0,0,0|1,0,0]=3 657 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [2,0,0,0,0,0|1,0,0]=3 658 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [2,0,0,0,0,0|1,0,0]=3 659 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [2,0,0,0,0,0|1,0,0]=3 660 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [2,0,0,0,0,0|1,0,0]=3 661 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [2,0,0,0,0,0|1,0,0]=3 662 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [2,0,0,0,0,0|1,0,0]=3 663 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [2,0,0,0,0,0|2,0,0]=4 664 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [2,0,0,0,0,0|2,0,0]=4 665 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [2,0,0,0,0,0|2,0,0]=4 666 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [2,0,0,0,0,0|2,0,0]=4 667 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [2,0,0,0,0,0|1,0,0]=3 668 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [2,0,0,0,0,0|2,0,0]=4 669 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [2,0,0,0,0,0|2,0,0]=4 670 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [2,0,0,0,0,0|2,0,0]=4 671 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [2,0,0,0,0,0|1,0,0]=3 672 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [2,0,0,0,0,0|2,0,0]=4 673 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [2,0,0,0,0,0|2,0,0]=4 675 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [2,0,0,0,0,0|2,0,0]=4 676 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [2,0,0,0,0,0|2,0,0]=4 677 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.69 Cc1ccc(cc1Br)I TS08325 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.69 Cc1ccc(cc1Br)N TS09455 [2,0,0,0,0,0|2,0,0]=4 683 B9R1.69 Cc1ccc(cc1C)Br TS39736 [2,0,0,0,0,0|1,0,0]=3 684 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [2,0,0,0,0,0|1,0,0]=3 685 B9R1.69 Cc1ccc(cc1C)F TS65457 [2,0,0,0,0,0|1,0,0]=3 686 B9R1.69 Cc1ccc(cc1C)I TS25161 [2,0,0,0,0,0|1,0,0]=3 687 B9R1.69 Cc1ccc(cc1C)N TS32462 [2,0,0,0,0,0|1,0,0]=3 688 B9R1.69 Cc1ccc(cc1C)O TS00123 [2,0,0,0,0,0|1,0,0]=3 689 B9R1.69 Cc1ccc(cc1C)S TS06303 [2,0,0,0,0,0|1,0,0]=3 690 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [2,0,0,0,0,0|2,0,0]=4 692 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [2,0,0,0,0,0|2,0,0]=4 693 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [2,0,0,0,0,0|2,0,0]=4 695 B9R1.69 Cc1ccc(cc1F)Br TS16763 [2,0,0,0,0,0|2,0,0]=4 696 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [2,0,0,0,0,0|2,0,0]=4 697 B9R1.69 Cc1ccc(cc1F)F TS47222 [2,0,0,0,0,0|2,0,0]=4 698 B9R1.69 Cc1ccc(cc1F)I TS02163 [2,0,0,0,0,0|2,0,0]=4 699 B9R1.69 Cc1ccc(cc1F)N TS02755 [2,0,0,0,0,0|2,0,0]=4 700 B9R1.69 Cc1ccc(cc1F)O TS02758 [2,0,0,0,0,0|2,0,0]=4 701 B9R1.69 Cc1ccc(cc1F)S TS06690 [2,0,0,0,0,0|2,0,0]=4 702 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [2,0,0,0,0,0|2,0,0]=4 703 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [2,0,0,0,0,0|2,0,0]=4 704 B9R1.69 Cc1ccc(cc1I)F TS60397 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.69 Cc1ccc(cc1I)N TS53418 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.69 Cc1ccc(cc1N)Br TS47394 [2,0,0,0,0,0|1,0,0]=3 707 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [2,0,0,0,0,0|1,0,0]=3 708 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [2,0,0,0,0,0|1,0,0]=3 709 B9R1.69 Cc1ccc(cc1N)F TS71546 [2,0,0,0,0,0|1,0,0]=3 710 B9R1.69 Cc1ccc(cc1N)I TS08884 [2,0,0,0,0,0|1,0,0]=3 711 B9R1.69 Cc1ccc(cc1N)N TS32517 [2,0,0,0,0,0|1,0,0]=3 712 B9R1.69 Cc1ccc(cc1N)O TS65470 [2,0,0,0,0,0|1,0,0]=3 713 B9R1.69 Cc1ccc(cc1O)Br TS09797 [2,0,0,0,0,0|2,0,0]=4 714 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [2,0,0,0,0,0|2,0,0]=4 715 B9R1.69 Cc1ccc(cc1O)F TS65133 [2,0,0,0,0,0|2,0,0]=4 716 B9R1.69 Cc1ccc(cc1O)O TS65139 [2,0,0,0,0,0|2,0,0]=4 717 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [2,0,0,0,0,0|2,0,0]=4 718 B9R1.69 Cc1ccc(cc1S)F TS06686 [2,0,0,0,0,0|2,0,0]=4 719 B9R1.69 Cc1ccc(nc1C)C TS04872 [2,0,0,0,0,0|1,0,0]=3 720 B9R1.69 Cc1ccc(nc1C)C TS26913 [2,0,0,0,0,0|1,0,0]=3 721 B9R1.69 Cc1ccc(nc1C)N TS04919 [2,0,0,0,0,0|2,0,0]=4 722 B9R1.69 Cc1ccc(nc1N)C TS02606 [2,0,0,0,0,0|1,0,0]=3 723 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [2,0,0,0,0,0|2,0,0]=4 724 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [2,0,0,0,0,0|2,0,0]=4 725 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [2,0,0,0,0,0|2,0,0]=4 726 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [2,0,0,0,0,0|2,0,0]=4 727 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [2,0,0,0,0,0|2,0,0]=4 728 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [2,0,0,0,0,0|2,0,0]=4 729 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [2,0,0,0,0,0|2,0,0]=4 730 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [2,0,0,0,0,0|2,0,0]=4 731 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [2,0,0,0,0,0|2,0,0]=4 732 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [2,0,0,0,0,0|2,0,0]=4 733 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [2,0,0,0,0,0|2,0,0]=4 734 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [2,0,0,0,0,0|2,0,0]=4 735 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [2,0,0,0,0,0|2,0,0]=4 736 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [2,0,0,0,0,0|2,0,0]=4 737 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [2,0,0,0,0,0|2,0,0]=4 738 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [2,0,0,0,0,0|2,0,0]=4 739 B9R1.69 c1cc(c(cc1F)N)F TS00672 [2,0,0,0,0,0|2,0,0]=4 740 B9R1.69 c1cc(c(cc1F)N)I TS07832 [2,0,0,0,0,0|2,0,0]=4 741 B9R1.69 c1cc(c(cc1F)N)N TS16670 [2,0,0,0,0,0|2,0,0]=4 742 B9R1.69 c1cc(c(cc1F)N)O TS00753 [2,0,0,0,0,0|2,0,0]=4 743 B9R1.69 c1cc(c(cc1I)N)F TS25996 [2,0,0,0,0,0|2,0,0]=4 744 B9R1.69 c1cc(c(cc1I)N)N TS71178 [2,0,0,0,0,0|2,0,0]=4 745 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [2,0,0,0,0,0|2,0,0]=4 746 B9R1.69 c1cc(c(cc1N)N)F TS65337 [2,0,0,0,0,0|2,0,0]=4 747 B9R1.69 c1cc(c(cc1N)N)I TS53551 [2,0,0,0,0,0|2,0,0]=4 748 B9R1.69 c1cc(c(cc1N)N)N TS00347 [2,0,0,0,0,0|2,0,0]=4 749 B9R1.69 c1cc(c(cc1N)N)O TS53804 [2,0,0,0,0,0|2,0,0]=4 750 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [2,0,0,0,0,0|2,0,0]=4 751 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [2,0,0,0,0,0|2,0,0]=4 752 B9R1.69 c1cc(c(cc1O)N)F TS65858 [2,0,0,0,0,0|2,0,0]=4 753 B11R1.13 CCNc1cccc(c1C)C TS40772 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.13 Cc1cccc(c1C)CC#N TS07113 [1,1,0,0,0,0|0,0,2]=4 755 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51010 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51019 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO TS17227 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.13 c1cc(c(c(c1)F)F)CCO TS10940 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.17 C=CCCc1ccccc1Br TS43954 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.17 CCCCc1ccccc1N TS07609 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.17 CNCCc1ccccc1F TS10332 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.17 Cc1ccccc1CN=C=O TS07341 [1,1,0,0,0,0|1,0,1]=4 763 B11R1.17 Cc1ccccc1CN=C=S TS11741 [1,1,0,0,0,0|1,0,1]=4 764 B11R1.17 Cc1ccccc1NCCO TS41044 [1,1,0,0,0,0|1,0,0]=3 765 B11R1.17 Cc1ccccc1OCCBr TS08141 [1,1,0,0,0,0|1,0,0]=3 766 B11R1.17 [C-]#[N+]CCc1ccccc1F TS07565 [1,1,0,0,0,0|1,0,1]=4 767 B11R1.17 c1ccc(c(c1)CCC#N)Cl TS12105 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.17 c1ccc(c(c1)CCCN)N TS09947 [1,1,0,0,0,0|1,0,0]=3 769 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.17 c1ccc(c(c1)CCCO)Br TS21829 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.17 c1ccc(c(c1)N)NCCN TS10085 [1,1,0,0,0,0|1,0,0]=3 772 B11R1.17 c1ccc(c(c1)N)NCCO TS16091 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.17 c1ccc(c(c1)O)OCCO TS08221 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.17 c1ccc(c(c1)OCCBr)Br TS54290 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.17 c1ccc(c(c1)OCCBr)Cl TS25797 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.17 c1ccc(c(c1)OCCBr)F TS22535 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.17 c1ccc(c(c1)OCCCl)Br TS25794 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.17 c1ccc(c(c1)OCCN)Cl TS45380 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.17 c1ccc(c(c1)OCCO)Cl TS45566 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.17 c1ccc(c(c1)SCCO)Br TS25354 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.41 C=CCc1ccccc1CO TS07463 [1,1,0,0,0,0|1,0,1]=4 782 B11R1.41 CCOc1ccccc1CN TS41033 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.41 CCOc1ccccc1CO TS10180 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.41 CCOc1ccccc1C[Zn+] TS25823 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.41 CCOc1ccccc1OC TS41144 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.41 CNCc1ccccc1OC TS10080 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.41 COc1ccccc1CC#N TS07347 [1,1,0,0,0,0|0,0,2]=4 788 B11R1.41 COc1ccccc1CC=C TS07469 [1,1,0,0,0,0|1,0,1]=4 789 B11R1.41 COc1ccccc1CCN TS41034 [1,1,0,0,0,0|0,0,0]=2 790 B11R1.41 COc1ccccc1CCO TS10185 [1,1,0,0,0,0|1,0,0]=3 791 B11R1.41 COc1ccccc1CNN TS52128 [1,1,0,0,0,0|1,0,0]=3 792 B11R1.41 COc1ccccc1CNN TS91568 [1,1,0,0,0,0|1,0,0]=3 793 B11R1.41 COc1ccccc1CO[NH3+] TS16256 [1,1,0,0,0,0|1,0,1]=4 794 B11R1.41 c1ccc(c(c1)CCBr)C=O TS16659 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.81 CCCc1ccc(cc1O)O TS41141 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [1,1,0,0,0,0|0,0,2]=4 798 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [1,1,0,0,0,0|0,0,0]=2 799 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [1,1,0,0,0,0|1,0,0]=3 800 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS07994 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51015 [1,1,0,0,0,0|1,0,0]=3 802 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51021 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.81 c1cc(c(cc1Cl)Cl)CCO TS47216 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.81 c1cc(c(cc1Cl)Cl)CNN TS86264 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.81 c1cc(c(cc1Cl)Cl)CON TS24614 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.81 c1cc(c(cc1F)Cl)CCO TS13593 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.81 c1cc(c(cc1F)Cl)CNN TS87366 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.81 c1cc(c(cc1F)Cl)CON TS93678 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.81 c1cc(c(cc1F)F)CCN TS41757 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.86 CC(C)Cc1ccccc1O TS40918 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [1,1,0,0,0,0|1,0,1]=4 812 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [1,1,0,0,0,0|1,0,1]=4 814 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [1,1,0,0,0,0|1,0,1]=4 815 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.86 Cc1ccccc1NC(=S)N TS12284 [1,1,0,0,0,0|1,0,1]=4 818 B11R1.86 Cc1ccccc1OC(F)F TS10937 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [1,1,0,0,0,0|1,0,1]=4 820 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [1,1,0,0,0,0|1,0,1]=4 821 B11R1.222 CCC(C)c1ccccc1N TS40776 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.222 CCC(C)c1ccccc1O TS40906 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [1,1,0,0,0,0|1,0,1]=4 824 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [1,1,0,0,0,0|1,0,1]=4 825 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [1,1,0,0,0,0|1,0,0]=3 828 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [1,1,0,0,0,0|1,0,0]=3 829 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.605 CCCc1c(cccc1O)O TS41152 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.605 Cc1cccc(c1CC#N)C TS40327 [1,1,0,0,0,0|0,0,2]=4 832 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl TS07995 [1,1,0,0,0,0|1,0,0]=3 833 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl TS51017 [1,1,0,0,0,0|1,0,0]=3 834 B11R1.605 c1cc(c(c(c1)Cl)CCN)F TS13424 [1,1,0,0,0,0|1,0,0]=3 835 B11R1.605 c1cc(c(c(c1)Cl)CCO)Cl TS51230 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.605 c1cc(c(c(c1)Cl)CCO)F TS32915 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.605 c1cc(c(c(c1)Cl)CON)F TS94245 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.605 c1cc(c(c(c1)F)CCN)F TS10829 [1,1,0,0,0,0|1,0,0]=3 839 B11R1.605 c1cc(c(c(c1)F)CCO)F TS10936 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [1,1,0,0,0,0|1,0,1]=4 841 B11R1.23 CCN(c1cccc(c1)C)N TS09936 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N TS45063 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [1,1,0,0,0,0|1,0,1]=4 844 B11R1.23 Cc1cccc(c1)C(CN)O TS50638 [1,1,0,0,0,0|0,0,0]=2 845 B11R1.23 c1cc(cc(c1)Br)C(CN)O TS28394 [1,1,0,0,0,0|1,0,0]=3 846 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [1,1,0,0,0,0|1,0,1]=4 847 B11R1.23 c1cc(cc(c1)Cl)C(CBr)O TS25796 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.23 c1cc(cc(c1)Cl)C(CCl)O TS51228 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.23 c1cc(cc(c1)Cl)C(CN)O TS43396 [1,1,0,0,0,0|1,0,0]=3 850 B11R1.23 c1cc(cc(c1)Cl)C(CO)Cl TS17228 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.23 c1cc(cc(c1)Cl)[C@@H](CO)N TS93997 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.23 c1cc(cc(c1)Cl)[C@H](CCl)O TS51236 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.23 c1cc(cc(c1)Cl)[C@H](CN)O TS43393 [1,1,0,0,0,0|1,0,0]=3 854 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)N TS45378 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)O TS45562 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.23 c1cc(cc(c1)F)C(CN)O TS51365 [1,1,0,0,0,0|1,0,0]=3 857 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [1,1,0,0,0,0|1,0,0]=3 858 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [1,1,0,0,0,0|1,0,0]=3 859 B11R1.24 CCCC[n+]1cccc(c1)C TS24837 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.24 CCNCc1cccc(c1)Br TS21623 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.24 CCNCc1cccc(c1)Cl TS45055 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.24 CCNCc1cccc(c1)F TS10327 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.24 CNCCc1cccc(c1)Cl TS12742 [1,1,0,0,0,0|1,0,0]=3 864 B11R1.24 CNCCc1cccc(c1)F TS10334 [1,1,0,0,0,0|1,0,0]=3 865 B11R1.24 Cc1cccc(c1)CCNC TS07599 [1,1,0,0,0,0|0,0,0]=2 866 B11R1.24 Cc1cccc(c1)CN=C=O TS07334 [1,1,0,0,0,0|1,0,1]=4 867 B11R1.24 Cc1cccc(c1)CN=C=S TS42618 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.24 Cc1cccc(c1)CN=[N+]=[N-] TS07356 [1,1,0,0,0,0|1,0,1]=4 869 B11R1.24 Cc1cccc(c1)NCCO TS41037 [1,1,0,0,0,0|1,0,0]=3 870 B11R1.24 Cc1cccc(c1)OCCBr TS21831 [1,1,0,0,0,0|1,0,0]=3 871 B11R1.24 Cc1cccc(c1)OCCO TS41130 [1,1,0,0,0,0|1,0,0]=3 872 B11R1.24 Cc1cccc(c1)SCCO TS44907 [1,1,0,0,0,0|1,0,0]=3 873 B11R1.24 [C-]#[N+]CCc1cccc(c1)F TS07563 [1,1,0,0,0,0|1,0,1]=4 874 B11R1.24 c1cc(cc(c1)Br)CCC#N TS20835 [1,1,0,0,0,0|1,0,1]=4 875 B11R1.24 c1cc(cc(c1)Br)OCCBr TS54287 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.24 c1cc(cc(c1)Br)OCCF TS22534 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.24 c1cc(cc(c1)Cl)OCCBr TS25792 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.24 c1cc(cc(c1)Cl)OCCO TS45563 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.24 c1cc(cc(c1)O)CCCO TS41149 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.24 c1cc(cc(c1)OCCO)O TS10404 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.34 Cc1cc(cc(c1)CC#N)C TS40328 [1,1,0,0,0,0|0,0,2]=4 882 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [1,1,0,0,0,0|1,0,1]=4 883 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [1,1,0,0,0,0|1,0,1]=4 884 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [1,1,0,0,0,0|1,0,1]=4 885 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [1,1,0,0,0,0|1,0,1]=4 886 B11R1.157 Cc1cccc(c1)NC(=S)N TS12287 [1,1,0,0,0,0|1,0,1]=4 887 B11R1.157 Cc1cccc(c1)NC(C)C TS40773 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.189 CCCc1cccc(c1)NN TS15741 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.189 CCOc1cccc(c1)CO TS41134 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.189 CCSc1cccc(c1)CN TS43261 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.189 CNCc1cccc(c1)OC TS41039 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.189 COc1cccc(c1)CCN TS02822 [1,1,0,0,0,0|0,0,0]=2 893 B11R1.189 COc1cccc(c1)CCO TS41136 [1,1,0,0,0,0|1,0,0]=3 894 B11R1.189 COc1cccc(c1)CNN TS88044 [1,1,0,0,0,0|1,0,0]=3 895 B11R1.189 COc1cccc(c1)CO[NH3+] TS16252 [1,1,0,0,0,0|1,0,1]=4 896 B11R1.189 c1cc(cc(c1)CO)CC#N TS07329 [1,1,0,0,0,0|0,0,2]=4 897 B11R1.189 c1cc(cc(c1)CO)CCN TS41046 [1,1,0,0,0,0|0,0,0]=2 898 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [1,1,0,0,0,0|1,0,1]=4 899 B11R1.192 Cc1cc(ccc1F)CCO TS41380 [1,1,0,0,0,0|1,0,0]=3 900 B11R1.192 Cc1ccc(cc1C)CC#N TS07125 [1,1,0,0,0,0|0,0,2]=4 901 B11R1.192 Cc1ccc(cc1C)CCN TS65765 [1,1,0,0,0,0|0,0,0]=2 902 B11R1.192 Cc1ccc(cc1F)CCO TS41379 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS51014 [1,1,0,0,0,0|1,0,0]=3 904 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS77162 [1,1,0,0,0,0|1,0,0]=3 905 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [1,1,0,0,0,0|1,0,0]=3 906 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [1,1,0,0,0,0|1,0,0]=3 907 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.192 c1cc(c(cc1CCO)Cl)Cl TS51235 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.192 c1cc(c(cc1CCO)Cl)F TS13598 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.192 c1cc(c(cc1CCO)F)Cl TS13605 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.192 c1cc(c(cc1CCO)F)F TS10938 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.8 Cc1cc(c(c(c1)OC)C)C TS09917 [1,1,0,0,0,0|1,0,0]=3 914 B11R1.8 c1c(cc(c(c1CN)F)F)F TS65307 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.37 CCc1c(nc(cn1)C)CC TS09937 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.37 COc1c(cc(cn1)Br)CN TS89747 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.37 COc1cc(ccc1CCl)F TS13587 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.37 COc1cc(ccc1CO)F TS10664 [1,1,0,0,0,0|2,0,0]=4 919 B11R1.37 COc1ccc(cc1CBr)F TS07834 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.37 COc1ccc(cc1CN)Cl TS45383 [1,1,0,0,0,0|1,0,0]=3 921 B11R1.37 COc1ccc(cc1CO)Br TS07816 [1,1,0,0,0,0|2,0,0]=4 922 B11R1.37 COc1ccc(cc1NN)Cl TS07826 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.37 COc1ccc(cc1OC)Br TS09621 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.37 COc1ccc(cc1OC)F TS41604 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.37 COc1ccc(cc1OC)I TS68773 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.37 COc1ccc(cc1OC)N TS02553 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.37 COc1ccc(cc1OC)N TS16248 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.37 COc1ccc(cc1OC)O TS65454 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.37 COc1ccc(cc1OC)S TS12826 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [1,1,0,0,0,0|1,0,0]=3 931 B11R1.72 Cc1ccc(c(c1Cl)CBr)F TS56989 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.72 Cc1ccc(c(c1Cl)CN)F TS13419 [1,1,0,0,0,0|1,0,0]=3 933 B11R1.72 Cc1ccc(c(c1Cl)CO)F TS13584 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.72 Cc1ccc(c(c1Cl)OC)F TS13599 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.72 Cc1ccc(c(c1F)CBr)F TS65357 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.72 Cc1ccc(c(c1F)CN)F TS41755 [1,1,0,0,0,0|1,0,0]=3 937 B11R1.72 Cc1ccc(c(c1F)CO)Cl TS13595 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.72 Cc1ccc(c(c1F)OC)Cl TS13588 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.72 Cc1ccc(c(c1F)OC)F TS10933 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.72 c1cc(c(c(c1F)CN)Cl)F TS46350 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.72 c1cc(c(c(c1F)CN)F)Cl TS09347 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.72 c1cc(c(c(c1F)CN)F)F TS02323 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.72 c1cc(c(c(c1N)CN)Cl)Cl TS51242 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.167 B(c1cc(ccc1C)C)(O)O TS40812 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.167 CC(c1cc(ccc1Cl)Cl)N TS16292 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.167 CC(c1cc(ccc1Cl)Cl)O TS65343 [1,1,0,0,0,0|2,0,0]=4 947 B11R1.167 CC(c1cc(ccc1F)Br)O TS22531 [1,1,0,0,0,0|2,0,0]=4 948 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [1,1,0,0,0,0|2,0,0]=4 949 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [1,1,0,0,0,0|0,0,1]=3 950 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [1,1,0,0,0,0|1,0,1]=4 951 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [1,1,0,0,0,0|1,0,1]=4 952 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [1,1,0,0,0,0|1,0,1]=4 953 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [1,1,0,0,0,0|1,0,1]=4 954 B11R1.167 Cc1ccc(c(c1)C(C)C)O TS40907 [1,1,0,0,0,0|1,0,0]=3 955 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [1,1,0,0,0,0|0,0,0]=2 956 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C TS40774 [1,1,0,0,0,0|0,0,0]=2 957 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])C TS10012 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.167 Cc1ccc(cc1C(=O)N)F TS10308 [1,1,0,0,0,0|1,0,1]=4 959 B11R1.167 Cc1ccc(cc1C(C)C)N TS40778 [1,1,0,0,0,0|1,0,0]=3 960 B11R1.167 Cc1ccc(cc1N(C)C)N TS09950 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.277 Cc1cc(c(cc1Br)Br)OC TS54286 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [1,1,0,0,0,0|1,0,0]=3 963 B11R1.277 Cc1cc(c(cc1C)C#C)C TS07001 [1,1,0,0,0,0|0,0,2]=4 964 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [1,1,0,0,0,0|1,0,1]=4 965 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [1,1,0,0,0,0|1,0,0]=3 967 B11R1.277 Cc1cc(c(cc1O)C)C#N TS40538 [1,1,0,0,0,0|0,0,2]=4 968 B11R1.277 Cc1cc(c(cc1O)C)C=O TS71150 [1,1,0,0,0,0|1,0,1]=4 969 B11R1.277 c1c(c(cc(c1Cl)F)F)CN TS07821 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.277 c1c(c(cc(c1F)F)F)CN TS65324 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.280 CCc1cc(ccc1N)C#N TS70879 [1,1,0,0,0,0|1,0,1]=4 972 B11R1.280 CCc1ccc(c(c1)CC)C TS40685 [1,1,0,0,0,0|0,0,0]=2 973 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.280 COc1cc(ccc1F)CBr TS60401 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.280 COc1cc(ccc1F)CCl TS13590 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.280 COc1cc(ccc1F)CO TS41605 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.280 COc1cc(ccc1O)CN TS16249 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.280 COc1cc(ccc1O)CO TS10411 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.280 COc1ccc(c(c1)CCl)F TS13600 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.280 COc1ccc(c(c1)CN)F TS51363 [1,1,0,0,0,0|1,0,0]=3 981 B11R1.280 COc1ccc(c(c1)CO)Br TS49205 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.280 COc1ccc(c(c1)CO)Cl TS45564 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.280 COc1ccc(c(c1)CO)F TS41599 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.280 COc1ccc(c(c1)NN)F TS51559 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [1,1,0,0,0,0|1,0,1]=4 993 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [1,1,0,0,0,0|1,0,1]=4 994 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [1,1,0,0,0,0|1,0,0]=3 995 B11R1.230 Cc1cc(n(n1)CCCN)C TS10340 [0,1,0,0,1,0|2,0,0]=4 996 B13R1.3973 Cc1cc(c(c(c1C)CC#N)C)C TS13386 [0,2,0,0,0,0|0,0,2]=4 997 B13R1.876 Cc1cc(c(cc1C)NC(=S)N)C TS17944 [0,2,0,0,0,0|1,0,1]=4 998 B13R1.897 Cc1ccc(c(c1)C(C(=O)O)O)C TS14588 [0,2,0,0,0,0|1,0,1]=4 999 B13R1.355 COc1ccc(c(c1)CC#N)OC TS59584 [0,2,0,0,0,0|0,0,2]=4 1000 B13R1.354 CCOc1cc(ccc1C)C(C)C TS14274 [0,2,0,0,0,0|2,0,0]=4 1001 B13R1.446 CCOC(=O)c1cc(ccc1C)C TS14232 [0,2,0,0,0,0|1,0,1]=4 1002 B13R1.893 Cc1ccc(c(c1)OCC(=O)O)C TS14603 [0,2,0,0,0,0|1,0,1]=4 1003 B13R1.893 Cc1ccc(c(c1)SCC(=O)O)C TS18303 [0,2,0,0,0,0|1,0,1]=4 1004 B13R1.2901 Cc1cc(c(cc1OC)C)CC#N TS13715 [0,2,0,0,0,0|0,0,2]=4 1005 B11R2.10 CC1Cc2ccccc2N1 TS05844 [1,0,0,1,0,0|2,0,0]=4 1006 B11R2.10 CC1Cc2ccccc2O1 TS36849 [1,0,0,1,0,0|2,0,0]=4 1007 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [1,0,0,1,0,0|1,0,1]=4 1008 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [1,0,0,1,0,0|1,0,0]=3 1009 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [1,0,0,1,0,0|1,0,0]=3 1010 B11R2.20 c1c2c(ncn1)CCNC2 TS86287 [1,0,0,1,0,0|2,0,0]=4 1011 B11R2.20 c1c2c(ncn1)CNCC2 TS91830 [1,0,0,1,0,0|2,0,0]=4 1012 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [1,0,0,1,0,0|2,0,0]=4 1013 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [1,0,0,1,0,0|1,0,0]=3 1014 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [1,0,0,1,0,0|1,0,0]=3 1015 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [1,0,0,1,0,0|1,0,0]=3 1016 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [1,0,0,1,0,0|1,0,0]=3 1017 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [1,0,0,1,0,0|1,0,1]=4 1018 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [1,0,0,1,0,0|1,0,1]=4 1019 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [1,0,0,1,0,0|1,0,0]=3 1020 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [1,0,0,1,0,0|1,0,0]=3 1021 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [1,0,0,1,0,0|2,0,0]=4 1022 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [1,0,0,1,0,0|0,0,2]=4 1023 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [1,0,0,1,0,0|1,0,0]=3 1024 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [1,0,0,1,0,0|1,0,0]=3 1025 B11R2.20 c1cncc2c1CCCC2 TS16964 [1,0,0,1,0,0|2,0,0]=4 1026 B11R2.20 c1cncc2c1CCNC2 TS05913 [1,0,0,1,0,0|1,0,0]=3 1027 B11R2.106 Cc1cccc2c1NCC2 TS39800 [1,0,0,1,0,0|2,0,0]=4 1028 B11R2.106 Cc1cccc2c1cc[nH]2 TS03171 [1,0,0,1,0,0|0,0,2]=4 1029 B11R2.106 Cc1cccc2c1cn[nH]2 TS71225 [1,0,0,1,0,0|1,0,1]=4 1030 B11R2.106 c1cc(c2c(c1)NCC2)N TS05908 [1,0,0,1,0,0|1,0,0]=3 1031 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [1,0,0,1,0,0|2,0,0]=4 1032 B11R2.106 c1cc2c(c(c1)Br)CCC2 TS89098 [1,0,0,1,0,0|2,0,0]=4 1033 B11R2.106 c1cc2c(c(c1)Br)CCN2 TS53950 [1,0,0,1,0,0|1,0,0]=3 1034 B11R2.106 c1cc2c(c(c1)Cl)CCN2 TS09013 [1,0,0,1,0,0|1,0,0]=3 1035 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [1,0,0,1,0,0|2,0,0]=4 1036 B11R2.106 c1cc2c(c(c1)I)CCN2 TS62109 [1,0,0,1,0,0|1,0,0]=3 1037 B11R2.106 c1cc2c(c(c1)N)CCC2 TS36770 [1,0,0,1,0,0|2,0,0]=4 1038 B11R2.106 c1cnc(c2c1NCC2)Cl TS90893 [1,0,0,1,0,0|2,0,0]=4 1039 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [1,0,0,1,0,0|1,0,0]=3 1040 B11R2.35 c1cc(cc(c1)Br)C2CC2 TS16329 [1,0,0,1,0,0|2,0,0]=4 1041 B11R2.35 c1cc(cc(c1)Cl)[C@H]2CO2 TS41458 [1,0,0,1,0,0|2,0,0]=4 1042 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [1,0,0,1,0,0|0,0,0]=2 1043 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [1,0,0,1,0,0|2,0,0]=4 1044 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,0,0,1,0,0|2,0,0]=4 1045 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [1,0,0,1,0,0|0,0,2]=4 1046 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [1,0,0,1,0,0|1,0,1]=4 1047 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [1,0,0,1,0,0|2,0,0]=4 1048 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [1,0,0,1,0,0|2,0,0]=4 1049 B11R2.36 c1c(cnc2c1CCN2)Br TS16970 [1,0,0,1,0,0|2,0,0]=4 1050 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [1,0,0,1,0,0|1,0,0]=3 1051 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,0,0,1,0,0|2,0,0]=4 1052 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [1,0,0,1,0,0|1,0,0]=3 1053 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [1,0,0,1,0,0|1,0,0]=3 1054 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,0,0,1,0,0|2,0,0]=4 1055 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [1,0,0,1,0,0|2,0,0]=4 1056 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,0,0,1,0,0|2,0,0]=4 1057 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,0,0,1,0,0|2,0,0]=4 1058 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,0,0,1,0,0|2,0,0]=4 1059 B11R2.1 Cc1ncc2n1CCNC2 TS87431 [0,0,0,1,1,0|2,0,0]=4 1060 B13R2.328 Cc1cc(c2c(c1)CCCC2)C TS42216 [0,1,0,1,0,0|1,0,0]=3 1061 B13R2.5393 Cc1cc(c(c2c1CCC2)O)Br TS52466 [0,1,0,1,0,0|2,0,0]=4 1062 B13R2.155 Cc1ccc2c(c1)CC(CC2)C TS42213 [0,1,0,1,0,0|1,0,0]=3 1063 B13R2.155 Cc1ccc2c(c1)CC(CO2)N TS37813 [0,1,0,1,0,0|0,0,0]=2 1064 B13R2.155 c1cc2c(cc1Br)CC(CC2)N TS24125 [0,1,0,1,0,0|1,0,0]=3 1065 B13R2.155 c1cc2c(cc1Br)CC(CO2)N TS30087 [0,1,0,1,0,0|1,0,0]=3 1066 B13R2.155 c1cc2c(cc1Br)CC(CS2)N TS61975 [0,1,0,1,0,0|1,0,0]=3 1067 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N TS48168 [0,1,0,1,0,0|1,0,0]=3 1068 B13R2.155 c1cc2c(cc1Cl)CC(CO2)N TS22702 [0,1,0,1,0,0|1,0,0]=3 1069 B13R2.155 c1cc2c(cc1F)CC(CC2)N TS12051 [0,1,0,1,0,0|1,0,0]=3 1070 B13R2.155 c1cc2c(cc1F)CC(CS2)N TS15162 [0,1,0,1,0,0|1,0,0]=3 1071 B13R2.155 c1cc2c(cc1N)CC(CC2)N TS42504 [0,1,0,1,0,0|1,0,0]=3 1072 B13R2.155 c1cc2c(cc1O)CC(CC2)N TS11729 [0,1,0,1,0,0|1,0,0]=3 1073 B13R2.611 Cc1ccc(c2c1CCC2)OC TS11600 [0,1,0,1,0,0|1,0,0]=3 1074 B13R2.3729 Cc1ccc2c(c1)CNCCN2 TS42502 [0,1,0,1,0,0|2,0,0]=4 1075 B13R2.3729 c1cc2c(cc1Br)NCCCC2 TS68652 [0,1,0,1,0,0|2,0,0]=4 1076 B13R2.3729 c1cc2c(cc1Cl)CCCCN2 TS22339 [0,1,0,1,0,0|2,0,0]=4 1077 B13R2.3729 c1cc2c(cc1Cl)NCCNC2 TS15071 [0,1,0,1,0,0|1,0,0]=3 1078 B13R2.3729 c1cc2c(cc1F)NCCCC2 TS38171 [0,1,0,1,0,0|2,0,0]=4 1079 B13R2.3729 c1cc2c(cc1F)NCCNC2 TS43091 [0,1,0,1,0,0|1,0,0]=3 1080 B13R2.3729 c1cc2c(cc1N)NCCNC2 TS42608 [0,1,0,1,0,0|1,0,0]=3 1081 B13R2.5179 Cc1ccc2c(c1)CCCC2=O TS42200 [0,1,0,1,0,0|1,0,1]=4 1082 B13R2.5179 c1cc2c(cc1Br)CCNC2=O TS22927 [0,1,0,1,0,0|1,0,1]=4 1083 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O TS14848 [0,1,0,1,0,0|1,0,1]=4 1084 B13R2.5179 c1cc2c(cc1F)CCNC2=O TS42877 [0,1,0,1,0,0|1,0,1]=4 1085 B13R2.5179 c1cc2c(cc1O)CCNC2=O TS11705 [0,1,0,1,0,0|1,0,1]=4 1086 B13R2.57 CCc1ccc2c(c1)CCCC2 TS42206 [0,1,0,1,0,0|1,0,0]=3 1087 B13R2.57 COc1ccc2c(c1)CCCN2 TS01248 [0,1,0,1,0,0|2,0,0]=4 1088 B13R2.57 COc1ccc2c(c1)CCNC2 TS11727 [0,1,0,1,0,0|0,0,0]=2 1089 B13R2.57 COc1ccc2c(c1)CCNC2 TS18911 [0,1,0,1,0,0|0,0,0]=2 1090 B13R2.57 COc1ccc2c(c1)NCCC2 TS55683 [0,1,0,1,0,0|2,0,0]=4 1091 B13R2.57 c1cc2c(cc1C#N)CCNC2 TS00334 [0,1,0,1,0,0|0,0,1]=3 1092 B13R2.57 c1cc2c(cc1C=O)CCCC2 TS42183 [0,1,0,1,0,0|1,0,1]=4 1093 B13R2.57 c1cc2c(cc1CN)CCCO2 TS11733 [0,1,0,1,0,0|2,0,0]=4 1094 B13R2.2121 COc1ccc2c(c1)CC(=O)C2 TS03349 [0,1,0,1,0,0|1,0,1]=4 1095 B13R2.2169 c1cc(c(cc1CN)C2CC2)F TS85331 [0,1,0,1,0,0|2,0,0]=4 1096 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 TS42201 [0,1,0,1,0,0|1,0,1]=4 1097 B13R2.162 Cc1ccc2c(c1)C(CCO2)N TS16302 [0,1,0,1,0,0|2,0,0]=4 1098 B13R2.162 Cc1ccc2c(c1)C(CCO2)N TS18908 [0,1,0,1,0,0|2,0,0]=4 1099 B13R2.162 c1cc2c(cc1Br)C(COC2)N TS24463 [0,1,0,1,0,0|2,0,0]=4 1100 B13R2.3028 c1cc2c(cc1F)C(C(C2)N)O TS38500 [0,1,0,1,0,0|1,0,0]=3 1101 B13R2.5151 Cc1ccc(c2c1CCC2=O)Br TS23951 [0,1,0,1,0,0|2,0,0]=4 1102 B13R2.5151 Cc1ccc(c2c1CCC2=O)C TS42182 [0,1,0,1,0,0|1,0,0]=3 1103 B13R2.3683 Cc1ccc2c(c1)CCC(=O)C2 TS42191 [0,1,0,1,0,0|1,0,0]=3 1104 B13R2.3683 Cc1ccc2c(c1)CCC(C2)C TS42209 [0,1,0,1,0,0|1,0,0]=3 1105 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 TS22922 [0,1,0,1,0,0|2,0,0]=4 1106 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N TS24124 [0,1,0,1,0,0|1,0,0]=3 1107 B13R2.3683 c1cc2c(cc1Br)CC[C@@H](C2)N TS24120 [0,1,0,1,0,0|1,0,0]=3 1108 B13R2.3683 c1cc2c(cc1Br)CC[C@H](C2)N TS24122 [0,1,0,1,0,0|1,0,0]=3 1109 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 TS32668 [0,1,0,1,0,0|2,0,0]=4 1110 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N TS22338 [0,1,0,1,0,0|1,0,0]=3 1111 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N TS48169 [0,1,0,1,0,0|1,0,0]=3 1112 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 TS42715 [0,1,0,1,0,0|2,0,0]=4 1113 B13R2.3683 c1cc2c(cc1F)CCC(C2)N TS12048 [0,1,0,1,0,0|1,0,0]=3 1114 B13R2.3683 c1cc2c(cc1F)CCC(C2)N TS38172 [0,1,0,1,0,0|1,0,0]=3 1115 B13R2.3683 c1cc2c(cc1F)CCC(C2)O TS43083 [0,1,0,1,0,0|2,0,0]=4 1116 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N TS38176 [0,1,0,1,0,0|1,0,0]=3 1117 B13R2.3683 c1cc2c(cc1I)CCC(=O)C2 TS33321 [0,1,0,1,0,0|2,0,0]=4 1118 B13R2.369 c1c2c(cc(c1N)O)CCCC2 TS11716 [0,1,0,1,0,0|2,0,0]=4 1119 B13R2.369 c1c2c(cc(c1O)O)CNCC2 TS27412 [0,1,0,1,0,0|1,0,0]=3 1120 B13R3.213 c1cc2c(cc1Br)C3C(C2)O3 TS21061 [0,0,0,2,0,0|2,0,0]=4 1121 B13R3.213 c1cc2c(cc1Cl)C3C(C2)O3 TS12304 [0,0,0,2,0,0|2,0,0]=4 1122 B13R3.213 c1cc2c(cc1F)C3C(C2)O3 TS40836 [0,0,0,2,0,0|2,0,0]=4 1123 B9R1.33 Cc1c(scn1)CCN TS37631 [1,0,0,0,1,0|2,0,0]=4 1124 B9R1.33 Cn1cncc1CCN TS60353 [1,0,0,0,1,0|2,0,0]=4 1125 B9R1.7 Cc1c[nH]c(n1)CCN TS85318 [1,0,0,0,1,0|2,0,0]=4 1126 B9R1.7 Cc1nc(cs1)CCN TS37628 [1,0,0,0,1,0|2,0,0]=4 1127 B9R1.7 Cn1cc(cn1)CCN TS40006 [1,0,0,0,1,0|2,0,0]=4 1128 B9R1.7 c1c(csc1CCN)Br TS38925 [1,0,0,0,1,0|2,0,0]=4 1129 B9R1.7 c1cc(sc1CCN)Br TS26924 [1,0,0,0,1,0|2,0,0]=4 1130 B9R1.7 c1cc(sc1CCN)Cl TS53962 [1,0,0,0,1,0|2,0,0]=4 1131 B9R1.22 CCn1c(cc(n1)C)C TS77178 [1,0,0,0,1,0|2,0,0]=4 1132 B9R1.22 Cc1c(cn(n1)C)CN TS39971 [1,0,0,0,1,0|2,0,0]=4 1133 B9R1.22 Cc1c(sc(n1)C)CN TS32752 [1,0,0,0,1,0|2,0,0]=4 1134 B9R1.22 Cc1cc(c(o1)C)CN TS36058 [1,0,0,0,1,0|1,0,0]=3 1135 B9R1.22 Cc1cc(n(n1)C)CN TS05099 [1,0,0,0,1,0|2,0,0]=4 1136 B9R1.27 CCc1c(c[nH]c1C)C TS32587 [1,0,0,0,1,0|1,0,0]=3 1137 B9R1.27 Cc1c(c(on1)C)CN TS65805 [1,0,0,0,1,0|2,0,0]=4