0 B10R1.30 C=Cc1cc(ccc1Cl)Cl TS45578 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.30 C=Cc1cc(ccc1F)F TS06428 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.30 CCc1cc(ccc1C)C TS05930 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.30 CCc1cc(ccc1I)Br TS76460 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.30 CCc1cc(ccc1N)Br TS25964 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.30 CCc1cc(ccc1N)Br TS37843 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.30 CCc1cc(ccc1N)I TS27559 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.30 CCc1cc(ccc1O)F TS37365 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.30 CCc1cc(ccc1O)O TS06259 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.30 CNc1cc(cnc1Cl)Br TS08912 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.30 COc1c(cnc(n1)Cl)Br TS16981 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.30 COc1c(ncc(n1)Br)N TS16991 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.30 COc1cc(ccc1Br)F TS65379 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.30 COc1cc(ccc1Br)I TS01774 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.30 COc1cc(ccc1Br)N TS00018 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.30 COc1cc(ccc1Br)O TS00019 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.30 COc1cc(ccc1Cl)F TS09281 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.30 COc1cc(ccc1Cl)N TS10907 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.30 COc1cc(ccc1F)Br TS19895 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.30 COc1cc(ccc1F)F TS65344 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.30 COc1cc(ccc1N)Br TS70959 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.30 COc1cc(ccc1N)F TS93806 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.30 COc1cc(ccc1N)N TS56779 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.30 COc1cc(ccc1O)Br TS29434 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.30 COc1cc(ccc1O)Cl TS11084 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.30 COc1cc(ccc1O)F TS37549 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.30 COc1cc(ccc1O)O TS37335 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.30 COc1cc(cnc1Br)Cl TS23560 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.30 COc1cc(cnc1N)Br TS38378 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.30 Cc1cc(c(nc1)Cl)C#N TS41210 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.30 Cc1cc(c(nc1)Cl)C=O TS41555 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.30 Cc1cc(c(nn1)O)CN TS88743 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.30 Cc1ccc(c(c1)C#N)F TS01008 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.30 Cc1ccc(c(c1)C#N)N TS47441 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [0,0,0,0,0,0|1,0,0]=1 55 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [0,0,0,0,0,0|1,0,0]=1 56 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [0,0,0,0,0,0|1,0,0]=1 57 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [0,0,0,0,0,0|0,0,0]=0 58 B10R1.30 Cc1ccc(c(n1)C#N)Br TS18386 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.30 Cc1ccc(c(n1)C=O)F TS37267 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.30 Cc1ccc(cc1C#N)Br TS09796 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.30 Cc1ccc(cc1C#N)Cl TS71505 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.30 Cc1ccc(cc1C#N)F TS65162 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.30 Cc1ccc(cc1C#N)N TS36681 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.30 Cc1ccc(cc1CN)F TS37290 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.30 Cc1ccc(cc1CO)F TS37367 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.30 Cc1ccc(cc1NN)F TS03301 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.30 Cc1ccc(cc1OC)F TS06455 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.30 Cc1ccc(cc1OC)N TS59695 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.30 Cc1ncc(c(n1)OC)N TS71203 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.30 c1c(cnc(c1C#N)O)Br TS90712 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.30 c1cc(c(cc1Br)C#N)Cl TS16983 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.30 c1cc(c(cc1Br)C#N)F TS71421 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.30 c1cc(c(cc1Br)C#N)I TS39532 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.30 c1cc(c(cc1Br)C#N)N TS47427 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.30 c1cc(c(cc1Br)C=O)Br TS47247 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.30 c1cc(c(cc1Br)C=O)F TS71419 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.30 c1cc(c(cc1Br)C=O)I TS09783 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.30 c1cc(c(cc1Cl)C#N)Br TS55119 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.30 c1cc(c(cc1Cl)C#N)Cl TS13098 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.30 c1cc(c(cc1Cl)C#N)F TS09841 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.30 c1cc(c(cc1Cl)C#N)N TS41212 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.30 c1cc(c(cc1Cl)C=O)Br TS09831 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.30 c1cc(c(cc1Cl)C=O)Cl TS47258 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.30 c1cc(c(cc1Cl)C=O)F TS09839 [0,0,0,0,0,0|4,0,0]=4 105 B10R1.30 c1cc(c(cc1Cl)C=O)N TS00774 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [0,0,0,0,0,0|4,0,0]=4 108 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [0,0,0,0,0,0|4,0,0]=4 109 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [0,0,0,0,0,0|4,0,0]=4 111 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [0,0,0,0,0,0|4,0,0]=4 113 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.30 c1cc(c(cc1Cl)NN)Cl TS21554 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.30 c1cc(c(cc1Cl)NN)F TS07822 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.30 c1cc(c(cc1F)C#N)Br TS18923 [0,0,0,0,0,0|4,0,0]=4 120 B10R1.30 c1cc(c(cc1F)C#N)Cl TS22995 [0,0,0,0,0,0|4,0,0]=4 121 B10R1.30 c1cc(c(cc1F)C#N)F TS00677 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.30 c1cc(c(cc1F)C#N)I TS62379 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.30 c1cc(c(cc1F)C#N)N TS00787 [0,0,0,0,0,0|4,0,0]=4 124 B10R1.30 c1cc(c(cc1F)C=O)Br TS08340 [0,0,0,0,0,0|4,0,0]=4 125 B10R1.30 c1cc(c(cc1F)C=O)Cl TS55244 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.30 c1cc(c(cc1F)C=O)F TS00673 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.30 c1cc(c(cc1F)C=O)I TS01072 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [0,0,0,0,0,0|4,0,0]=4 130 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [0,0,0,0,0,0|4,0,0]=4 131 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [0,0,0,0,0,0|4,0,0]=4 138 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.30 c1cc(c(cc1I)C#N)F TS01002 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.30 c1cc(c(cc1I)C=O)F TS62782 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [0,0,0,0,0,0|3,0,0]=3 144 B10R1.30 c1cc(c(cc1N)C#N)Br TS71353 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.30 c1cc(c(cc1N)C#N)Cl TS41208 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.30 c1cc(c(cc1N)C#N)F TS71360 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.30 c1cc(c(cc1N)C#N)N TS36766 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.30 c1cc(c(cc1N)C#N)O TS36814 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [0,0,0,0,0,0|4,0,0]=4 150 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.30 c1cc(c(cc1O)C#N)F TS39661 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.30 c1cc(c(cc1O)C=O)Br TS08344 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.30 c1cc(c(cc1O)C=O)F TS00999 [0,0,0,0,0,0|4,0,0]=4 154 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [0,0,0,0,0,0|3,0,0]=3 155 B9R1.2 C#Cc1cccc(c1)Br TS65960 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.2 C#Cc1cccc(c1)F TS70602 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.2 C#Cc1cccc(c1)N TS02665 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.2 C#Cc1cccc(c1)O TS32329 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.2 CC[n+]1cccc(c1)O TS38523 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.2 CCc1cc(cnc1)Br TS91617 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.2 CCc1cccc(c1)Br TS32764 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.2 CCc1cccc(c1)C TS04835 [1,0,0,0,0,0|1,0,0]=2 168 B9R1.2 CCc1cccc(c1)N TS32463 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.2 CCc1cccc(c1)O TS04895 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.2 CCc1cccc(n1)C TS32466 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.2 CCc1cccc(n1)N TS60098 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.2 CCc1ccnc(c1)Br TS48833 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.2 CCc1ccnc(c1)C TS32469 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.2 CCc1ccnc(c1)N TS71108 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.2 CNc1cc(ccn1)Cl TS37689 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.2 CNc1cccc(c1)Br TS48829 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.2 CNc1cccc(c1)Cl TS37535 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.2 CNc1cccc(c1)F TS70598 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.2 CNc1cccc(n1)Cl TS94212 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.2 COc1cc(=O)[nH]nc1 TS85110 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.2 COc1cc(ccn1)Cl TS03053 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.2 COc1cc(ccn1)F TS05258 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.2 COc1cc(ccn1)I TS71184 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.2 COc1cc(ccn1)N TS02966 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.2 COc1cc(cnc1)Br TS65932 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.2 COc1cc(cnc1)Cl TS06905 [1,0,0,0,0,0|2,0,0]=3 187 B9R1.2 COc1cc(cnc1)I TS25666 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.2 COc1cc(cnc1)N TS55470 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.2 COc1cc(cnc1)N TS89352 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.2 COc1cc(cnc1)O TS55469 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.2 COc1cc(ncn1)Cl TS09662 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.2 COc1cc(ncn1)I TS71191 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.2 COc1cc(ncn1)N TS70903 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.2 COc1cc(nnc1)Cl TS89964 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.2 COc1cccc(c1)Br TS00028 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.2 COc1cccc(c1)Cl TS37686 [1,0,0,0,0,0|1,0,0]=2 199 B9R1.2 COc1cccc(c1)F TS70591 [1,0,0,0,0,0|1,0,0]=2 200 B9R1.2 COc1cccc(c1)I TS39445 [1,0,0,0,0,0|1,0,0]=2 201 B9R1.2 COc1cccc(c1)N TS02081 [1,0,0,0,0,0|1,0,0]=2 202 B9R1.2 COc1cccc(c1)N TS11191 [1,0,0,0,0,0|1,0,0]=2 203 B9R1.2 COc1cccc(c1)O TS39714 [1,0,0,0,0,0|1,0,0]=2 204 B9R1.2 COc1cccc(c1)S TS70650 [1,0,0,0,0,0|1,0,0]=2 205 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [1,0,0,0,0,0|1,0,0]=2 206 B9R1.2 COc1cccc(n1)Br TS08366 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.2 COc1cccc(n1)Cl TS55270 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.2 COc1cccc(n1)I TS56597 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.2 COc1cccc(n1)O TS05074 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.2 COc1ccnc(c1)Br TS08328 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.2 COc1ccnc(c1)Cl TS55226 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.2 COc1ccnc(c1)N TS47406 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.2 COc1ccnc(n1)Cl TS55227 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.2 COc1ccnc(n1)I TS01070 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.2 COc1ccnc(n1)N TS47407 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.2 COc1cncc(n1)Cl TS90325 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.2 COc1nccc(n1)Cl TS40269 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.2 COc1nccc(n1)N TS90234 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.2 CSc1cccc(c1)Br TS60340 [1,0,0,0,0,0|1,1,0]=3 220 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,0,0,0,0,0|1,1,0]=3 221 B9R1.2 CSc1cccc(c1)F TS60012 [1,0,0,0,0,0|1,1,0]=3 222 B9R1.2 CSc1cccc(c1)I TS27987 [1,0,0,0,0,0|1,1,0]=3 223 B9R1.2 CSc1cccc(c1)N TS02674 [1,0,0,0,0,0|1,1,0]=3 224 B9R1.2 CSc1ccnc(c1)Cl TS11198 [1,0,0,0,0,0|2,1,0]=4 225 B9R1.2 Cc1cc(ccn1)C#N TS04726 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.2 Cc1cc(ccn1)C=O TS02448 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.2 Cc1cc(cnc1)C#N TS46458 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.2 Cc1cc(cnc1)C=O TS01158 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.2 Cc1cc(cnc1)CCl TS46377 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.2 Cc1cc(cnc1)CO TS04972 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,0,0,0,0,0|1,0,0]=2 232 B9R1.2 Cc1cccc(c1)C#C TS32229 [1,0,0,0,0,0|1,0,1]=3 233 B9R1.2 Cc1cccc(c1)C#N TS02843 [1,0,0,0,0,0|2,0,0]=3 234 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,0,0,0,0,0|1,0,1]=3 235 B9R1.2 Cc1cccc(c1)CBr TS00037 [1,0,0,0,0,0|2,0,0]=3 236 B9R1.2 Cc1cccc(c1)CCl TS37460 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.2 Cc1cccc(c1)CN TS04866 [1,0,0,0,0,0|2,0,0]=3 238 B9R1.2 Cc1cccc(c1)CO TS04903 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.2 Cc1cccc(c1)CS TS06306 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.2 Cc1cccc(c1)NC TS32467 [1,0,0,0,0,0|1,0,0]=2 242 B9R1.2 Cc1cccc(c1)NN TS04918 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.2 Cc1cccc(c1)NN TS41997 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.2 Cc1cccc(c1)OC TS32509 [1,0,0,0,0,0|0,0,0]=1 245 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.2 Cc1cccc(n1)C#N TS55295 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.2 Cc1cccc(n1)C=C TS04794 [1,0,0,0,0,0|2,0,1]=4 249 B9R1.2 Cc1cccc(n1)C=O TS85261 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.2 Cc1cccc(n1)CBr TS30360 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.2 Cc1cccc(n1)CBr TS48832 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.2 Cc1cccc(n1)CCl TS46378 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.2 Cc1cccc(n1)CN TS01962 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.2 Cc1cccc(n1)CO TS04961 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.2 Cc1cccc(n1)OC TS00087 [1,0,0,0,0,0|1,0,0]=2 256 B9R1.2 Cc1ccnc(c1)C#N TS55293 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.2 Cc1ccnc(c1)C=O TS03178 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.2 Cc1ccnc(c1)CN TS04912 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.2 Cc1ccnc(c1)OC TS04955 [1,0,0,0,0,0|1,0,0]=2 260 B9R1.2 Cc1ccnc(n1)SC TS85152 [1,0,0,0,0,0|2,1,0]=4 261 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.2 c1cc(cc(c1)F)CO TS39434 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.2 c1cc(cc(c1)F)CS TS06688 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.2 c1cc(cc(c1)I)CO TS53549 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.2 c1cc(cc(c1)N)CO TS59603 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.2 c1cc(cc(c1)O)CO TS32602 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.15 C#Cc1ccccc1Br TS48023 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,0,0,0,0,0|2,0,1]=4 305 B9R1.15 C#Cc1ccccc1F TS77181 [1,0,0,0,0,0|2,0,1]=4 306 B9R1.15 C#Cc1ccccc1O TS55318 [1,0,0,0,0,0|1,0,1]=3 307 B9R1.15 C=Cc1ccccc1Br TS55173 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,0,0,0,0,0|2,0,1]=4 309 B9R1.15 C=Cc1ccccc1F TS32504 [1,0,0,0,0,0|2,0,1]=4 310 B9R1.15 C=Cc1ccccc1I TS24807 [1,0,0,0,0,0|2,0,1]=4 311 B9R1.15 CC[n+]1ccccc1Br TS33546 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [1,0,0,0,0,0|2,0,1]=4 313 B9R1.15 CCc1ccccc1Br TS15420 [1,0,0,0,0,0|2,0,0]=3 314 B9R1.15 CCc1ccccc1C TS16337 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.15 CCc1ccccc1Cl TS37450 [1,0,0,0,0,0|2,0,0]=3 316 B9R1.15 CCc1ccccc1I TS25157 [1,0,0,0,0,0|2,0,0]=3 317 B9R1.15 CCc1ccccc1N TS32474 [1,0,0,0,0,0|2,0,0]=3 318 B9R1.15 CCc1ccccc1O TS04900 [1,0,0,0,0,0|1,0,0]=2 319 B9R1.15 CCc1ccccc1S TS06304 [1,0,0,0,0,0|1,1,0]=3 320 B9R1.15 CCc1cccnc1C TS32475 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.15 CCc1ccncc1C TS32464 [1,0,0,0,0,0|3,0,0]=4 322 B9R1.15 CCc1cnccc1Br TS92322 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.15 CCc1cnccc1C TS32480 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.15 CCc1cncnc1O TS05018 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.15 CNc1c(cccn1)Br TS49024 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.15 CNc1c(cccn1)Cl TS44725 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.15 CNc1ccccc1Cl TS37531 [1,0,0,0,0,0|2,0,0]=3 328 B9R1.15 CNc1ccccc1F TS56413 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.15 CNc1ccccc1N TS01587 [1,0,0,0,0,0|2,0,0]=3 330 B9R1.15 CNc1ccccc1N TS41998 [1,0,0,0,0,0|2,0,0]=3 331 B9R1.15 CNc1ccccc1N TS60152 [1,0,0,0,0,0|2,0,0]=3 332 B9R1.15 CNc1ccccc1O TS04968 [1,0,0,0,0,0|1,0,0]=2 333 B9R1.15 CNc1cccnc1Br TS49018 [1,0,0,0,0,0|3,0,0]=4 334 B9R1.15 CNc1cccnc1Cl TS06799 [1,0,0,0,0,0|3,0,0]=4 335 B9R1.15 CNc1cccnc1Cl TS46508 [1,0,0,0,0,0|3,0,0]=4 336 B9R1.15 CNc1ccncc1N TS32563 [1,0,0,0,0,0|3,0,0]=4 337 B9R1.15 COc1c(cccn1)Br TS65905 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.15 COc1c(cccn1)Cl TS65976 [1,0,0,0,0,0|2,0,0]=3 339 B9R1.15 COc1c(cccn1)F TS36212 [1,0,0,0,0,0|2,0,0]=3 340 B9R1.15 COc1c(cccn1)I TS02808 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.15 COc1c(cccn1)N TS02635 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.15 COc1c(nccn1)Cl TS55197 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.15 COc1c(nccn1)N TS47372 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.15 COc1ccccc1Br TS00023 [1,0,0,0,0,0|1,0,0]=2 345 B9R1.15 COc1ccccc1Cl TS37688 [1,0,0,0,0,0|1,0,0]=2 346 B9R1.15 COc1ccccc1F TS60288 [1,0,0,0,0,0|1,0,0]=2 347 B9R1.15 COc1ccccc1I TS09308 [1,0,0,0,0,0|1,0,0]=2 348 B9R1.15 COc1ccccc1N TS29238 [1,0,0,0,0,0|1,0,0]=2 349 B9R1.15 COc1ccccc1N TS59329 [1,0,0,0,0,0|1,0,0]=2 350 B9R1.15 COc1ccccc1P TS06425 [1,0,0,0,0,0|1,0,0]=2 351 B9R1.15 COc1ccccc1S TS37393 [1,0,0,0,0,0|0,1,0]=2 352 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,0,0,0,0,0|1,0,0]=2 353 B9R1.15 COc1cccnc1Br TS08305 [1,0,0,0,0,0|2,0,0]=3 354 B9R1.15 COc1cccnc1Cl TS55198 [1,0,0,0,0,0|2,0,0]=3 355 B9R1.15 COc1cccnc1I TS25665 [1,0,0,0,0,0|2,0,0]=3 356 B9R1.15 COc1cccnc1N TS47373 [1,0,0,0,0,0|2,0,0]=3 357 B9R1.15 COc1cccnc1O TS55383 [1,0,0,0,0,0|1,0,0]=2 358 B9R1.15 COc1ccncc1Br TS09454 [1,0,0,0,0,0|2,0,0]=3 359 B9R1.15 COc1ccncc1I TS02810 [1,0,0,0,0,0|2,0,0]=3 360 B9R1.15 COc1ccncc1N TS65861 [1,0,0,0,0,0|2,0,0]=3 361 B9R1.15 CSc1ccccc1Br TS19526 [1,0,0,0,0,0|1,1,0]=3 362 B9R1.15 CSc1ccccc1Cl TS42002 [1,0,0,0,0,0|1,1,0]=3 363 B9R1.15 CSc1ccccc1F TS06689 [1,0,0,0,0,0|1,1,0]=3 364 B9R1.15 CSc1ccccc1I TS27990 [1,0,0,0,0,0|1,1,0]=3 365 B9R1.15 CSc1ccccc1O TS37395 [1,0,0,0,0,0|0,1,0]=2 366 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,0,0,0,0,0|1,1,0]=3 367 B9R1.15 Cc1c(cccn1)OC TS04964 [1,0,0,0,0,0|2,0,0]=3 368 B9R1.15 Cc1c(nccn1)OC TS55427 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.15 Cc1ccccc1C#C TS02442 [1,0,0,0,0,0|2,0,1]=4 370 B9R1.15 Cc1ccccc1C#N TS04680 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.15 Cc1ccccc1C=C TS02453 [1,0,0,0,0,0|2,0,1]=4 372 B9R1.15 Cc1ccccc1C=O TS04808 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.15 Cc1ccccc1CBr TS01133 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.15 Cc1ccccc1CCl TS37456 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.15 Cc1ccccc1CN TS04867 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.15 Cc1ccccc1CO TS04907 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.15 Cc1ccccc1CS TS06308 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.15 Cc1ccccc1NC TS32471 [1,0,0,0,0,0|2,0,0]=3 379 B9R1.15 Cc1ccccc1NN TS60156 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.15 Cc1ccccc1OC TS32508 [1,0,0,0,0,0|1,0,0]=2 381 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,0,0,0,0,0|3,0,0]=4 383 B9R1.15 Cc1cccnc1OC TS04965 [1,0,0,0,0,0|2,0,0]=3 384 B9R1.15 Cc1ccncc1NC TS04920 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,0,0,0,0,0|2,0,1]=4 386 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,0,0,0,0,0|2,0,1]=4 387 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [1,0,0,0,0,0|3,0,0]=4 390 B9R1.15 c1cc(c(nc1)CO)O TS55400 [1,0,0,0,0,0|3,0,0]=4 391 B9R1.15 c1cc(c(nc1)CO)O TS70604 [1,0,0,0,0,0|3,0,0]=4 392 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [1,0,0,0,0,0|3,0,0]=4 393 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,0,0,0,0,0|3,0,0]=4 394 B9R1.15 c1cc(c(nc1)O)CN TS42244 [1,0,0,0,0,0|3,0,0]=4 395 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,0,0,0,0,0|3,0,0]=4 397 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,0,0,0,0,0|3,0,0]=4 398 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,0,0,0,0,0|3,0,0]=4 399 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,0,0,0,0,0|3,0,0]=4 400 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,0,0,0,0,0|2,0,0]=3 401 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,0,0,0,0,0|3,0,0]=4 402 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,0,0,0,0,0|3,0,0]=4 406 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,0,0,0,0,0|3,0,0]=4 408 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,0,0,0,0,0|2,0,0]=3 409 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,0,0,0,0,0|3,0,0]=4 411 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,0,0,0,0,0|3,0,0]=4 412 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,0,0,0,0,0|3,0,0]=4 413 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,0,0,0,0,0|2,0,0]=3 414 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,0,0,0,0,0|3,0,0]=4 415 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,0,0,0,0,0|3,0,0]=4 416 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,0,0,0,0,0|3,0,0]=4 417 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,0,0,0,0,0|3,0,0]=4 418 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,0,0,0,0,0|3,0,0]=4 419 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,0,0,0,0,0|3,0,0]=4 420 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,0,0,0,0,0|2,0,0]=3 424 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,0,0,0,0,0|3,0,0]=4 427 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,0,0,0,0,0|3,0,0]=4 428 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,0,0,0,0,0|3,0,0]=4 429 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,0,0,0,0,0|2,0,0]=3 430 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,0,0,0,0,0|2,1,0]=4 431 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,0,0,0,0,0|3,0,0]=4 432 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,0,0,0,0,0|3,0,0]=4 433 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,0,0,0,0,0|3,0,0]=4 434 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,0,0,0,0,0|3,0,0]=4 435 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,0,0,0,0,0|3,0,0]=4 436 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,0,0,0,0,0|3,0,0]=4 437 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,0,0,0,0,0|3,0,0]=4 438 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,0,0,0,0,0|2,0,0]=3 439 B9R1.15 c1cncc(c1C=O)O TS02800 [1,0,0,0,0,0|3,0,0]=4 440 B9R1.15 c1cncc(c1CO)O TS05089 [1,0,0,0,0,0|3,0,0]=4 441 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [1,0,0,0,0,0|2,0,1]=4 442 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [1,0,0,0,0,0|2,0,1]=4 443 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [1,0,0,0,0,0|1,0,1]=3 444 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [1,0,0,0,0,0|3,0,0]=4 445 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [1,0,0,0,0,0|3,0,0]=4 446 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [1,0,0,0,0,0|3,0,0]=4 447 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [1,0,0,0,0,0|3,0,0]=4 448 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [1,0,0,0,0,0|3,0,0]=4 449 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [1,0,0,0,0,0|3,0,0]=4 450 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [1,0,0,0,0,0|3,0,0]=4 451 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [1,0,0,0,0,0|3,0,0]=4 452 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [1,0,0,0,0,0|3,0,0]=4 453 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [1,0,0,0,0,0|3,0,0]=4 454 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [1,0,0,0,0,0|3,0,0]=4 455 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [1,0,0,0,0,0|3,0,0]=4 456 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [1,0,0,0,0,0|3,0,0]=4 457 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [1,0,0,0,0,0|3,0,0]=4 458 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [1,0,0,0,0,0|3,0,0]=4 459 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [1,0,0,0,0,0|3,0,0]=4 460 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [1,0,0,0,0,0|3,0,0]=4 461 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,0,0,0,0,0|3,0,0]=4 462 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,0,0,0,0,0|3,0,0]=4 463 B9R1.69 Cc1c(cnc(n1)C)N TS00641 [1,0,0,0,0,0|3,0,0]=4 464 B9R1.69 Cc1cc(c(cn1)Br)Cl TS89287 [1,0,0,0,0,0|3,0,0]=4 465 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [1,0,0,0,0,0|3,0,0]=4 466 B9R1.69 Cc1cc(c(cn1)Cl)Cl TS02900 [1,0,0,0,0,0|3,0,0]=4 467 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [1,0,0,0,0,0|3,0,0]=4 468 B9R1.69 Cc1cc(c(cn1)F)Cl TS07141 [1,0,0,0,0,0|3,0,0]=4 469 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [1,0,0,0,0,0|3,0,0]=4 470 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [1,0,0,0,0,0|3,0,0]=4 471 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [1,0,0,0,0,0|3,0,0]=4 472 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [1,0,0,0,0,0|3,0,0]=4 473 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [1,0,0,0,0,0|3,0,0]=4 474 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [1,0,0,0,0,0|3,0,0]=4 475 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [1,0,0,0,0,0|3,0,0]=4 476 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [1,0,0,0,0,0|2,0,0]=3 477 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [1,0,0,0,0,0|3,0,0]=4 478 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [1,0,0,0,0,0|3,0,0]=4 479 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [1,0,0,0,0,0|3,0,0]=4 480 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [1,0,0,0,0,0|3,0,0]=4 481 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [1,0,0,0,0,0|3,0,0]=4 482 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [1,0,0,0,0,0|3,0,0]=4 483 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [1,0,0,0,0,0|3,0,0]=4 484 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [1,0,0,0,0,0|2,0,0]=3 485 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [1,0,0,0,0,0|2,0,0]=3 486 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [1,0,0,0,0,0|2,0,0]=3 487 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [1,0,0,0,0,0|2,0,0]=3 488 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [1,0,0,0,0,0|2,0,0]=3 489 B9R1.69 Cc1cc(ccc1Br)F TS85460 [1,0,0,0,0,0|2,0,0]=3 490 B9R1.69 Cc1cc(ccc1Br)I TS08348 [1,0,0,0,0,0|2,0,0]=3 491 B9R1.69 Cc1cc(ccc1Br)N TS09584 [1,0,0,0,0,0|2,0,0]=3 492 B9R1.69 Cc1cc(ccc1Br)O TS09587 [1,0,0,0,0,0|2,0,0]=3 493 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [1,0,0,0,0,0|2,0,0]=3 494 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [1,0,0,0,0,0|2,0,0]=3 495 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [1,0,0,0,0,0|2,0,0]=3 496 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [1,0,0,0,0,0|2,0,0]=3 497 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [1,0,0,0,0,0|2,0,0]=3 498 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [1,0,0,0,0,0|2,0,0]=3 499 B9R1.69 Cc1cc(ccc1F)Br TS16784 [1,0,0,0,0,0|2,0,0]=3 500 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [1,0,0,0,0,0|2,0,0]=3 501 B9R1.69 Cc1cc(ccc1F)F TS22993 [1,0,0,0,0,0|2,0,0]=3 502 B9R1.69 Cc1cc(ccc1F)I TS65051 [1,0,0,0,0,0|2,0,0]=3 503 B9R1.69 Cc1cc(ccc1F)N TS36056 [1,0,0,0,0,0|2,0,0]=3 504 B9R1.69 Cc1cc(ccc1F)O TS71121 [1,0,0,0,0,0|2,0,0]=3 505 B9R1.69 Cc1cc(ccc1F)S TS06691 [1,0,0,0,0,0|2,0,0]=3 506 B9R1.69 Cc1cc(ccc1I)Br TS59717 [1,0,0,0,0,0|2,0,0]=3 507 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [1,0,0,0,0,0|2,0,0]=3 508 B9R1.69 Cc1cc(ccc1I)F TS71539 [1,0,0,0,0,0|2,0,0]=3 509 B9R1.69 Cc1cc(ccc1I)I TS78661 [1,0,0,0,0,0|2,0,0]=3 510 B9R1.69 Cc1cc(ccc1N)Br TS23566 [1,0,0,0,0,0|2,0,0]=3 511 B9R1.69 Cc1cc(ccc1N)Br TS93925 [1,0,0,0,0,0|2,0,0]=3 512 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [1,0,0,0,0,0|2,0,0]=3 513 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [1,0,0,0,0,0|2,0,0]=3 514 B9R1.69 Cc1cc(ccc1N)I TS71186 [1,0,0,0,0,0|2,0,0]=3 515 B9R1.69 Cc1cc(ccc1N)N TS00178 [1,0,0,0,0,0|2,0,0]=3 516 B9R1.69 Cc1cc(ccc1N)N TS17999 [1,0,0,0,0,0|2,0,0]=3 517 B9R1.69 Cc1cc(ccc1N)N TS23083 [1,0,0,0,0,0|2,0,0]=3 518 B9R1.69 Cc1cc(ccc1N)O TS02998 [1,0,0,0,0,0|2,0,0]=3 519 B9R1.69 Cc1cc(ccc1O)Br TS01121 [1,0,0,0,0,0|1,0,0]=2 520 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [1,0,0,0,0,0|1,0,0]=2 521 B9R1.69 Cc1cc(ccc1O)F TS09704 [1,0,0,0,0,0|1,0,0]=2 522 B9R1.69 Cc1cc(ccc1O)I TS53550 [1,0,0,0,0,0|1,0,0]=2 523 B9R1.69 Cc1cc(ccc1O)N TS08867 [1,0,0,0,0,0|1,0,0]=2 524 B9R1.69 Cc1cc(ccc1O)O TS32600 [1,0,0,0,0,0|1,0,0]=2 525 B9R1.69 Cc1cc(ccc1O)S TS70667 [1,0,0,0,0,0|1,0,0]=2 526 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [1,0,0,0,0,0|3,0,0]=4 527 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [1,0,0,0,0,0|3,0,0]=4 528 B9R1.69 Cc1cc(cnc1Br)F TS16270 [1,0,0,0,0,0|3,0,0]=4 529 B9R1.69 Cc1cc(cnc1Br)I TS55994 [1,0,0,0,0,0|3,0,0]=4 530 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,0,0,0,0,0|3,0,0]=4 531 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [1,0,0,0,0,0|3,0,0]=4 532 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [1,0,0,0,0,0|3,0,0]=4 533 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [1,0,0,0,0,0|3,0,0]=4 534 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [1,0,0,0,0,0|3,0,0]=4 535 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,0,0,0,0,0|3,0,0]=4 536 B9R1.69 Cc1cc(cnc1F)Br TS71418 [1,0,0,0,0,0|3,0,0]=4 537 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [1,0,0,0,0,0|3,0,0]=4 538 B9R1.69 Cc1cc(cnc1F)I TS25995 [1,0,0,0,0,0|3,0,0]=4 539 B9R1.69 Cc1cc(cnc1F)N TS71359 [1,0,0,0,0,0|3,0,0]=4 540 B9R1.69 Cc1cc(cnc1I)Br TS55995 [1,0,0,0,0,0|3,0,0]=4 541 B9R1.69 Cc1cc(cnc1N)Br TS00769 [1,0,0,0,0,0|3,0,0]=4 542 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [1,0,0,0,0,0|3,0,0]=4 543 B9R1.69 Cc1cc(cnc1N)F TS03314 [1,0,0,0,0,0|3,0,0]=4 544 B9R1.69 Cc1cc(cnc1N)I TS47433 [1,0,0,0,0,0|3,0,0]=4 545 B9R1.69 Cc1cc(cnc1N)N TS32578 [1,0,0,0,0,0|3,0,0]=4 546 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,0,0,0,0,0|2,0,0]=3 547 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,0,0,0,0,0|2,0,0]=3 548 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,0,0,0,0,0|2,0,0]=3 549 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,0,0,0,0,0|2,0,0]=3 550 B9R1.69 Cc1cc(n[nH]c1=O)C TS87639 [1,0,0,0,0,0|2,0,1]=4 551 B9R1.69 Cc1cc(ncc1Br)Br TS47245 [1,0,0,0,0,0|3,0,0]=4 552 B9R1.69 Cc1cc(ncc1Br)Cl TS55229 [1,0,0,0,0,0|3,0,0]=4 553 B9R1.69 Cc1cc(ncc1Br)F TS85252 [1,0,0,0,0,0|3,0,0]=4 554 B9R1.69 Cc1cc(ncc1Br)N TS47423 [1,0,0,0,0,0|3,0,0]=4 555 B9R1.69 Cc1cc(ncc1Br)O TS50643 [1,0,0,0,0,0|3,0,0]=4 556 B9R1.69 Cc1cc(ncc1Cl)Cl TS11472 [1,0,0,0,0,0|3,0,0]=4 557 B9R1.69 Cc1cc(ncc1Cl)F TS65149 [1,0,0,0,0,0|3,0,0]=4 558 B9R1.69 Cc1cc(ncc1Cl)N TS37690 [1,0,0,0,0,0|3,0,0]=4 559 B9R1.69 Cc1cc(ncc1F)Br TS16269 [1,0,0,0,0,0|3,0,0]=4 560 B9R1.69 Cc1cc(ncc1F)Cl TS55242 [1,0,0,0,0,0|3,0,0]=4 561 B9R1.69 Cc1cc(ncc1F)N TS00784 [1,0,0,0,0,0|3,0,0]=4 562 B9R1.69 Cc1cc(ncc1I)F TS25994 [1,0,0,0,0,0|3,0,0]=4 563 B9R1.69 Cc1cc(ncc1I)N TS53553 [1,0,0,0,0,0|3,0,0]=4 564 B9R1.69 Cc1cc(ncc1N)Br TS71350 [1,0,0,0,0,0|3,0,0]=4 565 B9R1.69 Cc1cc(ncc1N)Cl TS85166 [1,0,0,0,0,0|3,0,0]=4 566 B9R1.69 Cc1cc(ncc1N)N TS32570 [1,0,0,0,0,0|3,0,0]=4 567 B9R1.69 Cc1cc(nnc1Cl)C TS90980 [1,0,0,0,0,0|3,0,0]=4 568 B9R1.69 Cc1cc(nnc1O)O TS05141 [1,0,0,0,0,0|3,0,0]=4 569 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [1,0,0,0,0,0|1,0,1]=3 570 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [1,0,0,0,0,0|2,0,0]=3 571 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [1,0,0,0,0,0|2,0,0]=3 572 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [1,0,0,0,0,0|2,0,0]=3 573 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [1,0,0,0,0,0|2,0,0]=3 574 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [1,0,0,0,0,0|2,0,0]=3 575 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [1,0,0,0,0,0|2,0,0]=3 576 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [1,0,0,0,0,0|1,0,0]=2 577 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [1,0,0,0,0,0|1,1,0]=3 578 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [1,0,0,0,0,0|1,0,0]=2 579 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,0,0,0,0,0|1,0,0]=2 580 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [1,0,0,0,0,0|1,0,0]=2 581 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [1,0,0,0,0,0|1,0,0]=2 582 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [1,0,0,0,0,0|1,0,0]=2 583 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [1,0,0,0,0,0|1,0,0]=2 584 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [1,0,0,0,0,0|1,0,0]=2 585 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [1,0,0,0,0,0|0,0,0]=1 586 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,0,0,0,0,0|0,1,0]=2 587 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,0,0,0,0,0|0,1,0]=2 588 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [1,0,0,0,0,0|2,0,0]=3 589 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [1,0,0,0,0,0|2,0,0]=3 590 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [1,0,0,0,0,0|2,0,0]=3 591 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [1,0,0,0,0,0|2,0,0]=3 592 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [1,0,0,0,0,0|2,0,0]=3 593 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [1,0,0,0,0,0|2,0,0]=3 594 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [1,0,0,0,0,0|1,0,0]=2 595 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [1,0,0,0,0,0|2,0,0]=3 596 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [1,0,0,0,0,0|2,0,0]=3 597 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [1,0,0,0,0,0|2,0,0]=3 598 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [1,0,0,0,0,0|2,0,0]=3 599 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [1,0,0,0,0,0|2,0,0]=3 600 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [1,0,0,0,0,0|2,0,0]=3 601 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [1,0,0,0,0,0|2,0,0]=3 602 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [1,0,0,0,0,0|2,0,0]=3 603 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [1,0,0,0,0,0|2,0,0]=3 604 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [1,0,0,0,0,0|2,0,0]=3 605 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [1,0,0,0,0,0|2,0,0]=3 606 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [1,0,0,0,0,0|2,0,0]=3 607 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [1,0,0,0,0,0|2,0,0]=3 608 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [1,0,0,0,0,0|2,0,0]=3 609 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [1,0,0,0,0,0|2,0,0]=3 610 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [1,0,0,0,0,0|2,0,0]=3 611 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [1,0,0,0,0,0|1,0,0]=2 612 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [1,0,0,0,0,0|1,0,0]=2 613 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [1,0,0,0,0,0|1,0,0]=2 614 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [1,0,0,0,0,0|1,0,0]=2 615 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [1,0,0,0,0,0|1,0,0]=2 616 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [1,0,0,0,0,0|1,0,0]=2 617 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [1,0,0,0,0,0|0,0,0]=1 618 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,0,0,0,0,0|1,1,0]=3 619 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [1,0,0,0,0,0|0,2,0]=3 620 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [1,0,0,0,0,0|0,2,0]=3 621 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [1,0,0,0,0,0|0,2,0]=3 622 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [1,0,0,0,0,0|2,0,0]=3 623 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [1,0,0,0,0,0|3,0,0]=4 624 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [1,0,0,0,0,0|3,0,0]=4 625 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [1,0,0,0,0,0|3,0,0]=4 626 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [1,0,0,0,0,0|2,0,0]=3 627 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [1,0,0,0,0,0|2,0,0]=3 628 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [1,0,0,0,0,0|2,0,0]=3 629 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,0,0,0,0,0|1,0,0]=2 630 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [1,0,0,0,0,0|3,0,0]=4 631 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [1,0,0,0,0,0|3,0,0]=4 632 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [1,0,0,0,0,0|3,0,0]=4 633 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [1,0,0,0,0,0|3,0,0]=4 634 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [1,0,0,0,0,0|2,0,0]=3 635 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [1,0,0,0,0,0|3,0,0]=4 636 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [1,0,0,0,0,0|3,0,0]=4 637 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [1,0,0,0,0,0|3,0,0]=4 638 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [1,0,0,0,0,0|2,0,0]=3 639 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [1,0,0,0,0,0|2,0,0]=3 640 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [1,0,0,0,0,0|3,0,0]=4 641 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [1,0,0,0,0,0|3,0,0]=4 642 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [1,0,0,0,0,0|3,0,0]=4 643 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [1,0,0,0,0,0|2,0,0]=3 644 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [1,0,0,0,0,0|2,0,0]=3 645 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [1,0,0,0,0,0|3,0,0]=4 646 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [1,0,0,0,0,0|3,0,0]=4 647 B9R1.69 Cc1ccc(cc1Br)I TS08325 [1,0,0,0,0,0|3,0,0]=4 648 B9R1.69 Cc1ccc(cc1Br)N TS09455 [1,0,0,0,0,0|3,0,0]=4 649 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,0,0,0,0,0|2,0,0]=3 650 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,0,0,0,0,0|2,0,0]=3 651 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,0,0,0,0,0|2,0,0]=3 652 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,0,0,0,0,0|2,0,0]=3 653 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,0,0,0,0,0|2,0,0]=3 654 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,0,0,0,0,0|2,0,0]=3 655 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,0,0,0,0,0|2,0,0]=3 656 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [1,0,0,0,0,0|3,0,0]=4 657 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [1,0,0,0,0,0|3,0,0]=4 658 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [1,0,0,0,0,0|3,0,0]=4 659 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [1,0,0,0,0,0|3,0,0]=4 660 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [1,0,0,0,0,0|3,0,0]=4 661 B9R1.69 Cc1ccc(cc1F)Br TS16763 [1,0,0,0,0,0|3,0,0]=4 662 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [1,0,0,0,0,0|3,0,0]=4 663 B9R1.69 Cc1ccc(cc1F)F TS47222 [1,0,0,0,0,0|3,0,0]=4 664 B9R1.69 Cc1ccc(cc1F)I TS02163 [1,0,0,0,0,0|3,0,0]=4 665 B9R1.69 Cc1ccc(cc1F)N TS02755 [1,0,0,0,0,0|3,0,0]=4 666 B9R1.69 Cc1ccc(cc1F)O TS02758 [1,0,0,0,0,0|3,0,0]=4 667 B9R1.69 Cc1ccc(cc1F)S TS06690 [1,0,0,0,0,0|3,0,0]=4 668 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [1,0,0,0,0,0|3,0,0]=4 669 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [1,0,0,0,0,0|3,0,0]=4 670 B9R1.69 Cc1ccc(cc1I)F TS60397 [1,0,0,0,0,0|3,0,0]=4 671 B9R1.69 Cc1ccc(cc1I)N TS53418 [1,0,0,0,0,0|3,0,0]=4 672 B9R1.69 Cc1ccc(cc1N)Br TS47394 [1,0,0,0,0,0|3,0,0]=4 673 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [1,0,0,0,0,0|3,0,0]=4 674 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [1,0,0,0,0,0|3,0,0]=4 675 B9R1.69 Cc1ccc(cc1N)F TS71546 [1,0,0,0,0,0|3,0,0]=4 676 B9R1.69 Cc1ccc(cc1N)I TS08884 [1,0,0,0,0,0|3,0,0]=4 677 B9R1.69 Cc1ccc(cc1N)N TS32517 [1,0,0,0,0,0|3,0,0]=4 678 B9R1.69 Cc1ccc(cc1N)O TS65470 [1,0,0,0,0,0|3,0,0]=4 679 B9R1.69 Cc1ccc(cc1O)Br TS09797 [1,0,0,0,0,0|2,0,0]=3 680 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [1,0,0,0,0,0|2,0,0]=3 681 B9R1.69 Cc1ccc(cc1O)F TS65133 [1,0,0,0,0,0|2,0,0]=3 682 B9R1.69 Cc1ccc(cc1O)O TS65139 [1,0,0,0,0,0|2,0,0]=3 683 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [1,0,0,0,0,0|2,1,0]=4 684 B9R1.69 Cc1ccc(cc1S)F TS06686 [1,0,0,0,0,0|2,1,0]=4 685 B9R1.69 Cc1ccc(nc1C)C TS04872 [1,0,0,0,0,0|2,0,0]=3 686 B9R1.69 Cc1ccc(nc1C)C TS26913 [1,0,0,0,0,0|2,0,0]=3 687 B9R1.69 Cc1ccc(nc1C)N TS04919 [1,0,0,0,0,0|3,0,0]=4 688 B9R1.69 Cc1ccc(nc1N)C TS02606 [1,0,0,0,0,0|3,0,0]=4 689 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [1,0,0,0,0,0|3,0,0]=4 690 B9R1.69 Cc1cnc(c(n1)C)N TS08856 [1,0,0,0,0,0|3,0,0]=4 691 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [1,0,0,0,0,0|2,0,1]=4 692 B9R1.69 Cn1cc(ccc1=O)F TS03324 [1,0,0,0,0,0|2,0,1]=4 693 B9R1.69 Cn1cc(ccc1=O)N TS87923 [1,0,0,0,0,0|2,0,1]=4 694 B9R1.69 c1c(c(c[nH]c1=O)Cl)O TS07137 [1,0,0,0,0,0|3,0,0]=4 695 B9R1.69 c1c(c(cnc1Cl)Cl)O TS11787 [1,0,0,0,0,0|3,0,0]=4 696 B9R1.69 c1c(c(nc(n1)O)O)O TS05308 [1,0,0,0,0,0|3,0,0]=4 697 B9R1.69 c1c(cnc(c1Br)O)Br TS02570 [1,0,0,0,0,0|3,0,0]=4 698 B9R1.69 c1c(cnc(c1Br)O)Cl TS39301 [1,0,0,0,0,0|3,0,0]=4 699 B9R1.69 c1c(cnc(c1Br)O)F TS39708 [1,0,0,0,0,0|3,0,0]=4 700 B9R1.69 c1c(cnc(c1F)O)Cl TS85208 [1,0,0,0,0,0|3,0,0]=4 701 B9R1.69 c1c(cnc(c1I)O)Br TS74565 [1,0,0,0,0,0|3,0,0]=4 702 B9R1.69 c1c(cnc(c1N)O)Br TS55381 [1,0,0,0,0,0|3,0,0]=4 703 B9R1.69 c1c(cnc(c1N)O)Br TS85461 [1,0,0,0,0,0|3,0,0]=4 704 B9R1.69 c1c(cnc(c1N)O)Cl TS55382 [1,0,0,0,0,0|3,0,0]=4 705 B9R1.69 c1c(cnc(c1O)Br)Cl TS20650 [1,0,0,0,0,0|3,0,0]=4 706 B9R1.69 c1c(cnc(c1O)Cl)Br TS71412 [1,0,0,0,0,0|3,0,0]=4 707 B9R1.69 c1c(cnc(c1O)Cl)F TS07716 [1,0,0,0,0,0|3,0,0]=4 708 B9R1.69 c1c(cnc(c1O)F)Br TS55325 [1,0,0,0,0,0|3,0,0]=4 709 B9R1.69 c1c(cnc(c1O)N)Cl TS40265 [1,0,0,0,0,0|3,0,0]=4 710 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [1,0,0,0,0,0|2,0,0]=3 711 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [1,0,0,0,0,0|3,0,0]=4 712 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [1,0,0,0,0,0|3,0,0]=4 713 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [1,0,0,0,0,0|2,0,0]=3 714 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [1,0,0,0,0,0|3,0,0]=4 715 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [1,0,0,0,0,0|3,0,0]=4 716 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [1,0,0,0,0,0|3,0,0]=4 717 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [1,0,0,0,0,0|3,0,0]=4 718 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [1,0,0,0,0,0|3,0,0]=4 719 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [1,0,0,0,0,0|2,0,0]=3 720 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [1,0,0,0,0,0|3,0,0]=4 721 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [1,0,0,0,0,0|3,0,0]=4 722 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [1,0,0,0,0,0|3,0,0]=4 723 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [1,0,0,0,0,0|3,0,0]=4 724 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [1,0,0,0,0,0|3,0,0]=4 725 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [1,0,0,0,0,0|2,0,0]=3 726 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [1,0,0,0,0,0|3,0,0]=4 727 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [1,0,0,0,0,0|3,0,0]=4 728 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [1,0,0,0,0,0|3,0,0]=4 729 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [1,0,0,0,0,0|3,0,0]=4 730 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [1,0,0,0,0,0|3,0,0]=4 731 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [1,0,0,0,0,0|3,0,0]=4 732 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [1,0,0,0,0,0|3,0,0]=4 733 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [1,0,0,0,0,0|3,0,0]=4 734 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [1,0,0,0,0,0|2,0,0]=3 735 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [1,0,0,0,0,0|2,0,0]=3 736 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [1,0,0,0,0,0|2,0,0]=3 737 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [1,0,0,0,0,0|2,0,0]=3 738 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [1,0,0,0,0,0|2,0,0]=3 739 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [1,0,0,0,0,0|1,0,0]=2 740 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [1,0,0,0,0,0|2,1,0]=4 741 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [1,0,0,0,0,0|3,0,0]=4 742 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [1,0,0,0,0,0|3,0,0]=4 743 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [1,0,0,0,0,0|3,0,0]=4 744 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [1,0,0,0,0,0|3,0,0]=4 745 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [1,0,0,0,0,0|2,0,0]=3 746 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [1,0,0,0,0,0|3,0,0]=4 747 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [1,0,0,0,0,0|3,0,0]=4 748 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [1,0,0,0,0,0|3,0,0]=4 749 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [1,0,0,0,0,0|3,0,0]=4 750 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [1,0,0,0,0,0|3,0,0]=4 751 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [1,0,0,0,0,0|2,0,0]=3 752 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [1,0,0,0,0,0|2,1,0]=4 753 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [1,0,0,0,0,0|3,0,0]=4 754 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [1,0,0,0,0,0|3,0,0]=4 755 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [1,0,0,0,0,0|3,0,0]=4 756 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [1,0,0,0,0,0|3,0,0]=4 757 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [1,0,0,0,0,0|3,0,0]=4 758 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [1,0,0,0,0,0|2,0,0]=3 759 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [1,0,0,0,0,0|3,0,0]=4 760 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [1,0,0,0,0,0|3,0,0]=4 761 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [1,0,0,0,0,0|3,0,0]=4 762 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [1,0,0,0,0,0|2,0,0]=3 763 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [1,0,0,0,0,0|3,0,0]=4 764 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [1,0,0,0,0,0|3,0,0]=4 765 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [1,0,0,0,0,0|3,0,0]=4 766 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [1,0,0,0,0,0|3,0,0]=4 767 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [1,0,0,0,0,0|3,0,0]=4 768 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [1,0,0,0,0,0|2,0,0]=3 769 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [1,0,0,0,0,0|2,1,0]=4 770 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [1,0,0,0,0,0|2,1,0]=4 771 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [1,0,0,0,0,0|2,0,0]=3 772 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [1,0,0,0,0,0|2,0,0]=3 773 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [1,0,0,0,0,0|2,0,0]=3 774 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [1,0,0,0,0,0|2,0,0]=3 775 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [1,0,0,0,0,0|1,0,0]=2 776 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [1,0,0,0,0,0|2,1,0]=4 777 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [1,0,0,0,0,0|2,1,0]=4 778 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [1,0,0,0,0,0|3,0,0]=4 779 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [1,0,0,0,0,0|3,0,0]=4 780 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [1,0,0,0,0,0|3,0,0]=4 781 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [1,0,0,0,0,0|3,0,0]=4 782 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [1,0,0,0,0,0|3,0,0]=4 783 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [1,0,0,0,0,0|2,0,0]=3 784 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [1,0,0,0,0,0|3,0,0]=4 785 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [1,0,0,0,0,0|3,0,0]=4 786 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [1,0,0,0,0,0|3,0,0]=4 787 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [1,0,0,0,0,0|3,0,0]=4 788 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [1,0,0,0,0,0|3,0,0]=4 789 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [1,0,0,0,0,0|2,0,0]=3 790 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [1,0,0,0,0,0|2,1,0]=4 791 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [1,0,0,0,0,0|3,0,0]=4 792 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [1,0,0,0,0,0|3,0,0]=4 793 B9R1.69 c1cc(c(cc1F)F)F TS46768 [1,0,0,0,0,0|3,0,0]=4 794 B9R1.69 c1cc(c(cc1F)F)I TS26444 [1,0,0,0,0,0|3,0,0]=4 795 B9R1.69 c1cc(c(cc1F)F)N TS00627 [1,0,0,0,0,0|3,0,0]=4 796 B9R1.69 c1cc(c(cc1F)F)O TS00636 [1,0,0,0,0,0|2,0,0]=3 797 B9R1.69 c1cc(c(cc1F)F)S TS07912 [1,0,0,0,0,0|2,1,0]=4 798 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [1,0,0,0,0,0|3,0,0]=4 799 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [1,0,0,0,0,0|3,0,0]=4 800 B9R1.69 c1cc(c(cc1F)I)F TS26443 [1,0,0,0,0,0|3,0,0]=4 801 B9R1.69 c1cc(c(cc1F)I)I TS64595 [1,0,0,0,0,0|3,0,0]=4 802 B9R1.69 c1cc(c(cc1F)I)N TS09698 [1,0,0,0,0,0|3,0,0]=4 803 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [1,0,0,0,0,0|3,0,0]=4 804 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [1,0,0,0,0,0|3,0,0]=4 805 B9R1.69 c1cc(c(cc1F)N)F TS00672 [1,0,0,0,0,0|3,0,0]=4 806 B9R1.69 c1cc(c(cc1F)N)I TS07832 [1,0,0,0,0,0|3,0,0]=4 807 B9R1.69 c1cc(c(cc1F)N)N TS16670 [1,0,0,0,0,0|3,0,0]=4 808 B9R1.69 c1cc(c(cc1F)N)O TS00753 [1,0,0,0,0,0|2,0,0]=3 809 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [1,0,0,0,0,0|2,0,0]=3 810 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [1,0,0,0,0,0|2,0,0]=3 811 B9R1.69 c1cc(c(cc1F)O)F TS36449 [1,0,0,0,0,0|2,0,0]=3 812 B9R1.69 c1cc(c(cc1F)O)N TS36211 [1,0,0,0,0,0|2,0,0]=3 813 B9R1.69 c1cc(c(cc1F)O)O TS39506 [1,0,0,0,0,0|1,0,0]=2 814 B9R1.69 c1cc(c(cc1F)S)F TS07211 [1,0,0,0,0,0|2,1,0]=4 815 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [1,0,0,0,0,0|3,0,0]=4 816 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [1,0,0,0,0,0|3,0,0]=4 817 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [1,0,0,0,0,0|3,0,0]=4 818 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [1,0,0,0,0,0|3,0,0]=4 819 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [1,0,0,0,0,0|3,0,0]=4 820 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [1,0,0,0,0,0|3,0,0]=4 821 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [1,0,0,0,0,0|3,0,0]=4 822 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [1,0,0,0,0,0|3,0,0]=4 823 B9R1.69 c1cc(c(cc1I)F)F TS59549 [1,0,0,0,0,0|3,0,0]=4 824 B9R1.69 c1cc(c(cc1I)F)I TS65285 [1,0,0,0,0,0|3,0,0]=4 825 B9R1.69 c1cc(c(cc1I)F)N TS09293 [1,0,0,0,0,0|3,0,0]=4 826 B9R1.69 c1cc(c(cc1I)I)I TS82497 [1,0,0,0,0,0|3,0,0]=4 827 B9R1.69 c1cc(c(cc1I)I)N TS64466 [1,0,0,0,0,0|3,0,0]=4 828 B9R1.69 c1cc(c(cc1I)N)F TS25996 [1,0,0,0,0,0|3,0,0]=4 829 B9R1.69 c1cc(c(cc1I)N)N TS71178 [1,0,0,0,0,0|3,0,0]=4 830 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [1,0,0,0,0,0|2,0,0]=3 831 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [1,0,0,0,0,0|3,0,0]=4 832 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [1,0,0,0,0,0|3,0,0]=4 833 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [1,0,0,0,0,0|2,0,0]=3 834 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [1,0,0,0,0,0|3,0,0]=4 835 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [1,0,0,0,0,0|3,0,0]=4 836 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [1,0,0,0,0,0|3,0,0]=4 837 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [1,0,0,0,0,0|3,0,0]=4 838 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [1,0,0,0,0,0|3,0,0]=4 839 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [1,0,0,0,0,0|3,0,0]=4 840 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [1,0,0,0,0,0|3,0,0]=4 841 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [1,0,0,0,0,0|2,0,0]=3 842 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [1,0,0,0,0,0|3,0,0]=4 843 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [1,0,0,0,0,0|3,0,0]=4 844 B9R1.69 c1cc(c(cc1N)F)F TS65749 [1,0,0,0,0,0|3,0,0]=4 845 B9R1.69 c1cc(c(cc1N)F)I TS02749 [1,0,0,0,0,0|3,0,0]=4 846 B9R1.69 c1cc(c(cc1N)F)O TS02963 [1,0,0,0,0,0|2,0,0]=3 847 B9R1.69 c1cc(c(cc1N)I)N TS01065 [1,0,0,0,0,0|3,0,0]=4 848 B9R1.69 c1cc(c(cc1N)I)O TS25670 [1,0,0,0,0,0|2,0,0]=3 849 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [1,0,0,0,0,0|3,0,0]=4 850 B9R1.69 c1cc(c(cc1N)N)F TS65337 [1,0,0,0,0,0|3,0,0]=4 851 B9R1.69 c1cc(c(cc1N)N)I TS53551 [1,0,0,0,0,0|3,0,0]=4 852 B9R1.69 c1cc(c(cc1N)N)N TS00347 [1,0,0,0,0,0|3,0,0]=4 853 B9R1.69 c1cc(c(cc1N)N)O TS53804 [1,0,0,0,0,0|2,0,0]=3 854 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [1,0,0,0,0,0|2,0,0]=3 855 B9R1.69 c1cc(c(cc1N)O)O TS20087 [1,0,0,0,0,0|1,0,0]=2 856 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [1,0,0,0,0,0|3,0,0]=4 857 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [1,0,0,0,0,0|3,0,0]=4 858 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [1,0,0,0,0,0|2,0,0]=3 859 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [1,0,0,0,0,0|3,0,0]=4 860 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [1,0,0,0,0,0|3,0,0]=4 861 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [1,0,0,0,0,0|3,0,0]=4 862 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [1,0,0,0,0,0|2,0,0]=3 863 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [1,0,0,0,0,0|3,0,0]=4 864 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [1,0,0,0,0,0|3,0,0]=4 865 B9R1.69 c1cc(c(cc1O)F)F TS60320 [1,0,0,0,0,0|3,0,0]=4 866 B9R1.69 c1cc(c(cc1O)F)N TS42650 [1,0,0,0,0,0|3,0,0]=4 867 B9R1.69 c1cc(c(cc1O)F)N TS70881 [1,0,0,0,0,0|3,0,0]=4 868 B9R1.69 c1cc(c(cc1O)F)O TS85396 [1,0,0,0,0,0|2,0,0]=3 869 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [1,0,0,0,0,0|3,0,0]=4 870 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [1,0,0,0,0,0|3,0,0]=4 871 B9R1.69 c1cc(c(cc1O)N)F TS65858 [1,0,0,0,0,0|3,0,0]=4 872 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [1,0,0,0,0,0|2,0,0]=3 873 B9R1.69 c1cc(c(cc1O)O)F TS71140 [1,0,0,0,0,0|2,0,0]=3 874 B9R1.69 c1cc(c(cc1O)O)N TS42356 [1,0,0,0,0,0|2,0,0]=3 875 B9R1.69 c1cc(c(cc1O)O)O TS05134 [1,0,0,0,0,0|1,0,0]=2 876 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [1,0,0,0,0,0|3,0,0]=4 877 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [1,0,0,0,0,0|3,0,0]=4 878 B9R1.69 c1cc(c(cc1S)F)F TS40406 [1,0,0,0,0,0|3,0,0]=4 879 B9R1.69 c1cc(c(cc1S)F)N TS40078 [1,0,0,0,0,0|3,0,0]=4 880 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [1,0,0,0,0,0|2,1,0]=4 881 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [1,0,0,0,0,0|3,0,0]=4 882 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [1,0,0,0,0,0|3,0,0]=4 883 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [1,0,0,0,0,0|3,0,0]=4 884 B9R1.69 c1cc(nc(c1N)O)Br TS65864 [1,0,0,0,0,0|3,0,0]=4 885 B9R1.69 c1cc(nc(c1O)Br)Br TS00688 [1,0,0,0,0,0|3,0,0]=4 886 B9R1.69 c1cc(nc(c1O)I)Cl TS28821 [1,0,0,0,0,0|3,0,0]=4 887 B11R1.8 COc1cc(cc(c1Cl)F)F TS14300 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.8 COc1cc(cc(c1F)F)Br TS50250 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.8 Cc1cc(c(c(c1)Br)O)C=O TS44640 [0,1,0,0,0,0|2,0,0]=3 890 B11R1.8 Cc1cc(c(c(c1)F)F)C#N TS41236 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.8 Cc1cc(c(c(c1)OC)C)C TS09917 [0,1,0,0,0,0|1,0,0]=2 892 B11R1.8 Cc1cc(cc(c1I)OC)Cl TS54569 [0,1,0,0,0,0|2,0,0]=3 893 B11R1.8 Cc1cc(cc(c1O)C=O)Br TS44642 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.8 Cc1cc(cc(c1O)C=O)Cl TS12919 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.8 Cc1cc(cc(c1O)C=O)F TS41352 [0,1,0,0,0,0|3,0,0]=4 896 B11R1.8 Cc1cc(cc(c1O)OC)Br TS86158 [0,1,0,0,0,0|1,0,0]=2 897 B11R1.8 Cc1nc(c(c(n1)Cl)N)OC TS13416 [0,1,0,0,0,0|3,0,0]=4 898 B11R1.8 c1c(cc(c(c1C#N)O)Br)Br TS02568 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.8 c1c(cc(c(c1C#N)O)Cl)Cl TS15895 [0,1,0,0,0,0|3,0,0]=4 900 B11R1.8 c1c(cc(c(c1C=O)O)Br)Br TS00126 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.8 c1c(cc(c(c1C=O)O)Br)Cl TS25789 [0,1,0,0,0,0|3,0,0]=4 902 B11R1.8 c1c(cc(c(c1C=O)O)Cl)Cl TS17213 [0,1,0,0,0,0|3,0,0]=4 903 B11R1.8 c1c(cc(c(c1C=O)O)F)Br TS49542 [0,1,0,0,0,0|3,0,0]=4 904 B11R1.8 c1c(cc(c(c1C=O)O)I)I TS66953 [0,1,0,0,0,0|3,0,0]=4 905 B11R1.8 c1c(cc(c(c1CBr)O)Br)Br TS64454 [0,1,0,0,0,0|3,0,0]=4 906 B11R1.8 c1c(cc(c(c1CO)O)Br)Br TS34374 [0,1,0,0,0,0|3,0,0]=4 907 B11R1.8 c1c(cc(c(c1CO)O)Cl)Cl TS17606 [0,1,0,0,0,0|3,0,0]=4 908 B11R1.37 COc1cc(ccc1C#N)Br TS70958 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.37 COc1cc(ccc1C#N)F TS60398 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.37 COc1cc(ccc1C=O)F TS09700 [0,1,0,0,0,0|1,0,1]=3 911 B11R1.37 COc1cc(ccc1C=O)O TS71152 [0,1,0,0,0,0|1,0,1]=3 912 B11R1.37 COc1cc(ccc1CCl)F TS13587 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.37 COc1cc(ccc1CO)F TS10664 [0,1,0,0,0,0|1,0,0]=2 914 B11R1.37 COc1cc(cnc1C#N)Br TS44291 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.37 COc1cc(cnc1OC)Br TS49352 [0,1,0,0,0,0|2,0,0]=3 916 B11R1.37 COc1ccc(cc1C#N)Cl TS32986 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.37 COc1ccc(cc1C#N)F TS71543 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.37 COc1ccc(cc1C#N)I TS29292 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.37 COc1ccc(cc1C=O)Br TS16974 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.37 COc1ccc(cc1C=O)Cl TS09829 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.37 COc1ccc(cc1C=O)F TS71541 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.37 COc1ccc(cc1C=O)I TS71572 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.37 COc1ccc(cc1CBr)F TS07834 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.37 COc1ccc(cc1CN)Cl TS45383 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.37 COc1ccc(cc1CO)Br TS07816 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.37 COc1ccc(cc1NN)Cl TS07826 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.37 COc1ccc(cc1OC)Br TS09621 [0,1,0,0,0,0|1,0,0]=2 928 B11R1.37 COc1ccc(cc1OC)F TS41604 [0,1,0,0,0,0|1,0,0]=2 929 B11R1.37 COc1ccc(cc1OC)I TS68773 [0,1,0,0,0,0|1,0,0]=2 930 B11R1.37 COc1ccc(cc1OC)N TS02553 [0,1,0,0,0,0|1,0,0]=2 931 B11R1.37 COc1ccc(cc1OC)N TS16248 [0,1,0,0,0,0|1,0,0]=2 932 B11R1.37 COc1ccc(cc1OC)O TS65454 [0,1,0,0,0,0|1,0,0]=2 933 B11R1.37 COc1ccc(cc1OC)S TS12826 [0,1,0,0,0,0|1,0,0]=2 934 B11R1.37 COc1ccc(cc1[Mg]Br)F TS52885 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.37 COc1ccc(cc1[N+]#N)Cl TS38745 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.37 COc1cnc(nc1OC)N TS10575 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.37 Cc1ccc(c(c1)C#N)C#N TS37567 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [0,1,0,0,0,0|0,0,0]=1 939 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl TS21188 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.72 COc1c(ccc(c1Cl)F)F TS65393 [0,1,0,0,0,0|2,0,0]=3 941 B11R1.72 COc1c(ccc(c1F)Cl)F TS14299 [0,1,0,0,0,0|2,0,0]=3 942 B11R1.72 COc1c(ccc(c1F)F)F TS65313 [0,1,0,0,0,0|2,0,0]=3 943 B11R1.72 COc1c(ccc(c1F)F)N TS65748 [0,1,0,0,0,0|2,0,0]=3 944 B11R1.72 Cc1c(c(ccn1=O)Cl)OC TS09642 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.72 Cc1ccc(c(c1Cl)C=O)F TS13269 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.72 Cc1ccc(c(c1Cl)CBr)F TS56989 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.72 Cc1ccc(c(c1Cl)CN)F TS13419 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.72 Cc1ccc(c(c1Cl)CO)F TS13584 [0,1,0,0,0,0|3,0,0]=4 949 B11R1.72 Cc1ccc(c(c1Cl)OC)F TS13599 [0,1,0,0,0,0|1,0,0]=2 950 B11R1.72 Cc1ccc(c(c1F)C=O)Cl TS13270 [0,1,0,0,0,0|3,0,0]=4 951 B11R1.72 Cc1ccc(c(c1F)C=O)F TS10656 [0,1,0,0,0,0|3,0,0]=4 952 B11R1.72 Cc1ccc(c(c1F)CBr)F TS65357 [0,1,0,0,0,0|3,0,0]=4 953 B11R1.72 Cc1ccc(c(c1F)CN)F TS41755 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.72 Cc1ccc(c(c1F)CO)Cl TS13595 [0,1,0,0,0,0|3,0,0]=4 955 B11R1.72 Cc1ccc(c(c1F)OC)Cl TS13588 [0,1,0,0,0,0|1,0,0]=2 956 B11R1.72 Cc1ccc(c(c1F)OC)F TS10933 [0,1,0,0,0,0|1,0,0]=2 957 B11R1.72 Cc1cnc(c(c1OC)C)Cl TS43391 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.167 B(c1cc(ccc1C)C)(O)O TS40812 [0,1,0,0,0,0|3,0,0]=4 959 B11R1.167 B(c1cc(ccc1Cl)C)(O)O TS46387 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.167 B(c1cc(ccc1F)C)(O)O TS01009 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.167 B(c1cc(ccc1O)Br)(O)O TS22151 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.167 B(c1cc(ccc1O)Cl)(O)O TS71494 [0,1,0,0,0,0|3,0,0]=4 963 B11R1.167 B(c1cc(ccc1O)F)(O)O TS71537 [0,1,0,0,0,0|3,0,0]=4 964 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [0,1,0,0,0,0|3,0,0]=4 965 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [0,1,0,0,0,0|3,0,0]=4 966 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [0,1,0,0,0,0|3,0,0]=4 967 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [0,1,0,0,0,0|3,0,0]=4 968 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [0,1,0,0,0,0|3,0,0]=4 969 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [0,1,0,0,0,0|3,0,0]=4 970 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [0,1,0,0,0,0|3,0,0]=4 971 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [0,1,0,0,0,0|3,0,0]=4 972 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.167 CC(c1cc(ccc1Cl)Cl)N TS16292 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.167 CC(c1cc(ccc1Cl)Cl)O TS65343 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.167 CC(c1cc(ccc1F)Br)O TS22531 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.167 Cc1cc(c(nc1)O)[N+](=O)[O-] TS16695 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,1,0,0,0,0|2,0,0]=3 982 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,1,0,0,0,0|2,0,0]=3 983 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [0,1,0,0,0,0|2,0,0]=3 986 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [0,1,0,0,0,0|3,0,0]=4 991 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [0,1,0,0,0,0|2,0,0]=3 993 B11R1.167 Cc1ccc(c(c1)C(C)C)O TS40907 [0,1,0,0,0,0|1,0,0]=2 994 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [0,1,0,0,0,0|2,0,0]=3 995 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C TS40774 [0,1,0,0,0,0|2,0,0]=3 996 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br TS08749 [0,1,0,0,0,0|3,0,0]=4 997 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])C TS10012 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Cl TS13074 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F TS71131 [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])I TS07801 [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N TS39761 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O TS41245 [0,1,0,0,0,0|2,0,0]=3 1003 B11R1.167 Cc1ccc(c(n1)[N+](=O)[O-])O TS70617 [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.167 Cc1ccc(cc1C(C)C)N TS40778 [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.167 Cc1ccc(cc1N(C)C)N TS09950 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [0,1,0,0,0,0|3,0,0]=4 1008 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O TS70969 [0,1,0,0,0,0|3,0,0]=4 1009 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O TS45692 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O TS09708 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [0,1,0,0,0,0|3,0,0]=4 1015 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])O TS41334 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])O TS10556 [0,1,0,0,0,0|3,0,0]=4 1021 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,1,0,0,0,0|2,0,1]=4 1022 B11R1.182 CCNc1cc(ccc1C)O TS41041 [0,1,0,0,0,0|3,0,0]=4 1023 B11R1.182 CCNc1cc(ccc1Cl)Cl TS51022 [0,1,0,0,0,0|3,0,0]=4 1024 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [0,1,0,0,0,0|2,0,0]=3 1027 B11R1.182 CCOc1cc(ccc1N)F TS51362 [0,1,0,0,0,0|2,0,0]=3 1028 B11R1.182 CCOc1cc(ccc1O)C TS10189 [0,1,0,0,0,0|0,0,0]=1 1029 B11R1.182 CCOc1cc(cnc1Br)N TS49209 [0,1,0,0,0,0|3,0,0]=4 1030 B11R1.182 CNCc1cc(ccc1Cl)Cl TS33078 [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.182 COCc1cc(ccc1Br)F TS22533 [0,1,0,0,0,0|2,0,0]=3 1032 B11R1.182 COCc1cc(ccc1F)Br TS22532 [0,1,0,0,0,0|2,0,0]=3 1033 B11R1.182 Cc1ccc(c(c1)CC#N)C TS07114 [0,1,0,0,0,0|2,0,1]=4 1034 B11R1.182 Cc1ccc(c(c1)CCN)C TS07614 [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.182 Cc1ccc(c(c1)CCO)C TS40917 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [0,1,0,0,0,0|0,1,0]=2 1037 B11R1.182 Cc1ccc(c(c1)N=C=O)C TS47278 [0,1,0,0,0,0|2,0,1]=4 1038 B11R1.182 Cc1ccc(c(c1)N=C=O)F TS32781 [0,1,0,0,0,0|2,0,1]=4 1039 B11R1.182 Cc1ccc(c(c1)N=C=S)C TS42622 [0,1,0,0,0,0|2,0,1]=4 1040 B11R1.182 Cc1ccc(c(c1)N=C=S)F TS12397 [0,1,0,0,0,0|2,0,1]=4 1041 B11R1.182 c1cc(c(cc1Cl)CCN)Cl TS51018 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.182 c1cc(c(cc1Cl)CCO)Cl TS51229 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.182 c1cc(c(cc1N)CCO)N TS28052 [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.277 COC1=CC(=O)C(=CC1=O)O TS10384 [0,1,0,0,0,0|1,0,1]=3 1045 B11R1.277 COc1cc(c(cc1Br)F)F TS50249 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl TS21185 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.277 COc1cc(c(cc1Cl)Cl)N TS00609 [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.277 COc1cc(c(cc1Cl)F)Br TS39526 [0,1,0,0,0,0|2,0,0]=3 1049 B11R1.277 CSc1cc(c(cc1Cl)Cl)Cl TS24417 [0,1,0,0,0,0|2,1,0]=4 1050 B11R1.277 Cc1cc(c(cc1Br)Br)OC TS54286 [0,1,0,0,0,0|1,0,0]=2 1051 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [0,1,0,0,0,0|1,0,0]=2 1052 B11R1.277 Cc1cc(c(cc1Br)F)C#N TS16762 [0,1,0,0,0,0|3,0,0]=4 1053 B11R1.277 Cc1cc(c(cc1Br)F)C=O TS16761 [0,1,0,0,0,0|3,0,0]=4 1054 B11R1.277 Cc1cc(c(cc1C)C#C)C TS07001 [0,1,0,0,0,0|2,0,1]=4 1055 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [0,1,0,0,0,0|3,0,0]=4 1056 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [0,1,0,0,0,0|1,0,0]=2 1057 B11R1.277 Cc1cc(c(cc1Cl)C=O)O TS45229 [0,1,0,0,0,0|3,0,0]=4 1058 B11R1.277 Cc1cc(c(cc1Cl)N)C#N TS12321 [0,1,0,0,0,0|3,0,0]=4 1059 B11R1.277 Cc1cc(c(cc1Cl)OC)N TS03050 [0,1,0,0,0,0|2,0,0]=3 1060 B11R1.277 Cc1cc(c(cc1F)Br)C#N TS21593 [0,1,0,0,0,0|3,0,0]=4 1061 B11R1.277 Cc1cc(c(cc1F)F)C#N TS09231 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [0,1,0,0,0,0|1,0,0]=2 1063 B11R1.277 Cc1cc(c(cc1O)C)C#N TS40538 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.277 Cc1cc(c(cc1O)C)C=O TS71150 [0,1,0,0,0,0|3,0,0]=4 1065 B11R1.277 c1c(c(cc(c1Br)F)O)C=O TS49543 [0,1,0,0,0,0|3,0,0]=4 1066 B11R1.277 c1c(c(cc(c1O)O)O)C=O TS10388 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.280 CCc1cc(ccc1N)C#N TS70879 [0,1,0,0,0,0|2,0,1]=4 1068 B11R1.280 CCc1ccc(c(c1)C=O)O TS65157 [0,1,0,0,0,0|2,0,0]=3 1069 B11R1.280 CCc1ccc(c(c1)CC)C TS40685 [0,1,0,0,0,0|2,0,0]=3 1070 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [0,1,0,0,0,0|0,0,0]=1 1071 B11R1.280 CNc1c(ccc(n1)OC)N TS24118 [0,1,0,0,0,0|3,0,0]=4 1072 B11R1.280 CNc1ccc(c(n1)OC)N TS10321 [0,1,0,0,0,0|2,0,0]=3 1073 B11R1.280 COc1c(cnc(n1)OC)Br TS16972 [0,1,0,0,0,0|3,0,0]=4 1074 B11R1.280 COc1c(cnc(n1)OC)I TS71570 [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.280 COc1cc(c(nc1)N)OC TS10430 [0,1,0,0,0,0|2,0,0]=3 1076 B11R1.280 COc1cc(ccc1F)C#N TS71118 [0,1,0,0,0,0|1,0,1]=3 1077 B11R1.280 COc1cc(ccc1F)C=O TS02813 [0,1,0,0,0,0|1,0,1]=3 1078 B11R1.280 COc1cc(ccc1F)CBr TS60401 [0,1,0,0,0,0|1,0,0]=2 1079 B11R1.280 COc1cc(ccc1F)CCl TS13590 [0,1,0,0,0,0|1,0,0]=2 1080 B11R1.280 COc1cc(ccc1F)CO TS41605 [0,1,0,0,0,0|1,0,0]=2 1081 B11R1.280 COc1cc(ccc1O)C#N TS03114 [0,1,0,0,0,0|0,0,1]=2 1082 B11R1.280 COc1cc(ccc1O)C=C TS40861 [0,1,0,0,0,0|0,0,1]=2 1083 B11R1.280 COc1cc(ccc1O)C=O TS02812 [0,1,0,0,0,0|0,0,1]=2 1084 B11R1.280 COc1cc(ccc1O)CN TS16249 [0,1,0,0,0,0|0,0,0]=1 1085 B11R1.280 COc1cc(ccc1O)CO TS10411 [0,1,0,0,0,0|0,0,0]=1 1086 B11R1.280 COc1cc(ncc1N)OC TS10429 [0,1,0,0,0,0|2,0,0]=3 1087 B11R1.280 COc1ccc(c(c1)C#N)F TS60283 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.280 COc1ccc(c(c1)C#N)N TS47438 [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.280 COc1ccc(c(c1)C#N)O TS07543 [0,1,0,0,0,0|2,0,0]=3 1090 B11R1.280 COc1ccc(c(c1)C=O)Br TS08350 [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.280 COc1ccc(c(c1)C=O)F TS09303 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.280 COc1ccc(c(c1)C=O)O TS10130 [0,1,0,0,0,0|2,0,0]=3 1093 B11R1.280 COc1ccc(c(c1)CCl)F TS13600 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.280 COc1ccc(c(c1)CN)F TS51363 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.280 COc1ccc(c(c1)CO)Br TS49205 [0,1,0,0,0,0|3,0,0]=4 1096 B11R1.280 COc1ccc(c(c1)CO)Cl TS45564 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.280 COc1ccc(c(c1)CO)F TS41599 [0,1,0,0,0,0|3,0,0]=4 1098 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [0,1,0,0,0,0|2,0,0]=3 1099 B11R1.280 COc1ccc(c(c1)NN)F TS51559 [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [0,1,0,0,0,0|1,0,0]=2 1101 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [0,1,0,0,0,0|1,0,0]=2 1102 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [0,1,0,0,0,0|1,0,0]=2 1103 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [0,1,0,0,0,0|1,0,0]=2 1104 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [0,1,0,0,0,0|1,0,0]=2 1105 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [0,1,0,0,0,0|0,1,0]=2 1106 B11R1.280 COc1ccc(c(n1)OC)N TS17198 [0,1,0,0,0,0|2,0,0]=3 1107 B11R1.280 COc1ccc(c(n1)OC)N TS65843 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [0,1,0,0,0,0|1,0,1]=3 1109 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [0,1,0,0,0,0|1,0,1]=3 1110 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [0,1,0,0,0,0|1,0,0]=2 1111 B11R1.280 c1cc(c(cc1C#N)C=O)O TS00152 [0,1,0,0,0,0|2,0,1]=4 1112 B11R1.280 c1cc(c(cc1C=O)C=O)O TS07649 [0,1,0,0,0,0|2,0,1]=4 1113 B11R1.280 c1cc(c(cc1CBr)C#N)F TS66014 [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.280 c1cc(c(cc1CCl)C=O)O TS12923 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.280 c1cc(c(cc1CN)C#N)F TS09848 [0,1,0,0,0,0|3,0,0]=4 1116 B11R1.280 c1cc(c(nc1CO)CO)O TS10564 [0,1,0,0,0,0|3,0,0]=4 1117 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [0,0,0,1,0,0|2,0,0]=3 1118 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [0,0,0,1,0,0|2,0,0]=3 1119 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [0,0,0,1,0,0|0,0,0]=1 1120 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [0,0,0,1,0,0|2,0,1]=4 1121 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,0,0,1,0,0|2,0,1]=4 1122 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [0,0,0,1,0,0|1,1,1]=4 1123 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,0,0,1,0,0|3,0,0]=4 1124 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [0,0,0,1,0,0|1,0,1]=3 1125 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [0,0,0,1,0,0|3,0,0]=4 1126 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [0,0,0,1,0,0|3,0,0]=4 1127 B11R2.36 Cc1ccc2c(c1)non2 TS36810 [0,0,0,1,0,0|3,0,0]=4 1128 B11R2.36 Cc1ccc2c(c1)nsn2 TS09904 [0,0,0,1,0,0|3,0,0]=4 1129 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [0,0,0,1,0,0|1,0,1]=3 1130 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [0,0,0,1,0,0|1,1,1]=4 1131 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [0,0,0,1,0,0|2,0,1]=4 1132 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [0,0,0,1,0,0|2,0,1]=4 1133 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [0,0,0,1,0,0|3,0,0]=4 1134 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [0,0,0,1,0,0|3,0,0]=4 1135 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [0,0,0,1,0,0|2,0,0]=3 1136 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [0,0,0,1,0,0|2,0,1]=4 1137 B11R2.36 c1cc2c(cc1Br)ocn2 TS55557 [0,0,0,1,0,0|2,0,1]=4 1138 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [0,0,0,1,0,0|3,0,0]=4 1139 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [0,0,0,1,0,0|3,0,0]=4 1140 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [0,0,0,1,0,0|3,0,0]=4 1141 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [0,0,0,1,0,0|1,0,0]=2 1142 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [0,0,0,1,0,0|2,0,1]=4 1143 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [0,0,0,1,0,0|3,0,0]=4 1144 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [0,0,0,1,0,0|3,0,0]=4 1145 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [0,0,0,1,0,0|2,0,1]=4 1146 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [0,0,0,1,0,0|2,0,0]=3 1147 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [0,0,0,1,0,0|1,0,0]=2 1148 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [0,0,0,1,0,0|3,0,0]=4 1149 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [0,0,0,1,0,0|2,0,0]=3 1150 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [0,0,0,1,0,0|3,0,0]=4 1151 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [0,0,0,1,0,0|1,0,0]=2 1152 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [0,0,0,1,0,0|2,0,1]=4 1153 B11R2.36 c1cc2c(cc1N)ocn2 TS01204 [0,0,0,1,0,0|2,0,1]=4 1154 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [0,0,0,1,0,0|3,0,0]=4 1155 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [0,0,0,1,0,0|2,0,0]=3 1156 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [0,0,0,1,0,0|1,0,0]=2 1157 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [0,0,0,1,0,0|2,0,1]=4 1158 B11R2.36 c1cc2c(cco2)cc1N TS36754 [0,0,0,1,0,0|2,0,1]=4 1159 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [0,0,0,1,0,0|3,0,0]=4 1160 B9R1.27 CCc1c(c[nH]c1C)C TS32587 [0,0,0,0,1,0|3,0,0]=4 1161 B11R1.391 COc1ccc(ccc1=O)Br TS44632 [0,0,0,0,0,1|1,0,1]=3 1162 B8R0.6 CC=CC=CC(=O)OC TS05163 [1,0,1,0,0,0|1,0,0]=3 1163 B8R0.9 CC(=O)C=CC(=O)OC TS36270 [1,0,1,0,0,0|1,0,1]=4 1164 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|1,0,1]=4 1165 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|1,0,1]=4 1166 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|2,0,0]=4 1167 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|2,0,0]=4 1168 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|1,0,0]=3 1169 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|2,0,0]=4 1170 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|2,0,0]=4 1171 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|2,0,0]=4 1172 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,0]=3 1173 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,0]=3 1174 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 1175 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|2,0,0]=4 1176 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 1177 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|0,0,0]=2 1178 B8R1.2 COc1cccnn1 TS02827 [2,0,0,0,0,0|2,0,0]=4 1179 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|1,0,0]=3 1180 B8R1.2 COc1ccncn1 TS31815 [2,0,0,0,0,0|2,0,0]=4 1181 B8R1.2 COc1cnccn1 TS55429 [2,0,0,0,0,0|2,0,0]=4 1182 B8R1.2 COc1ncccn1 TS31823 [2,0,0,0,0,0|2,0,0]=4 1183 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,0]=3 1184 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|0,1,0]=3 1185 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|1,1,0]=4 1186 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|1,1,0]=4 1187 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,0]=3 1188 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|1,0,0]=3 1189 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 1190 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|2,0,0]=4 1191 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|2,0,0]=4 1192 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|2,0,0]=4 1193 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|2,0,0]=4 1194 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|2,0,0]=4 1195 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|2,0,0]=4 1196 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|2,0,0]=4 1197 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|2,0,0]=4 1198 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|2,0,0]=4 1199 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|2,0,0]=4 1200 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|2,0,0]=4 1201 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|2,0,0]=4 1202 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 1203 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 1204 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 1205 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 1206 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|2,0,0]=4 1207 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|2,0,0]=4 1208 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|1,0,0]=3 1209 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 1210 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 1211 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 1212 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 1213 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 1214 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 1215 B8R1.4 CC1=CCC=C(C1)C TS04144 [2,0,0,0,0,0|0,0,2]=4 1216 B8R1.4 C[n+]1cccc(c1)Br TS74567 [2,0,0,0,0,0|2,0,0]=4 1217 B8R1.4 Cc1cc(ccn1)Br TS20656 [2,0,0,0,0,0|2,0,0]=4 1218 B8R1.4 Cc1cc(ccn1)Br TS85446 [2,0,0,0,0,0|2,0,0]=4 1219 B8R1.4 Cc1cc(ccn1)Cl TS42660 [2,0,0,0,0,0|2,0,0]=4 1220 B8R1.4 Cc1cc(ccn1)Cl TS71029 [2,0,0,0,0,0|2,0,0]=4 1221 B8R1.4 Cc1cc(ccn1)F TS04247 [2,0,0,0,0,0|2,0,0]=4 1222 B8R1.4 Cc1cc(ccn1)I TS22520 [2,0,0,0,0,0|2,0,0]=4 1223 B8R1.4 Cc1cc(ccn1)N TS93456 [2,0,0,0,0,0|2,0,0]=4 1224 B8R1.4 Cc1cc(ccn1)O TS03105 [2,0,0,0,0,0|1,0,0]=3 1225 B8R1.4 Cc1cc(cnc1)Br TS65935 [2,0,0,0,0,0|2,0,0]=4 1226 B8R1.4 Cc1cc(cnc1)C TS31757 [2,0,0,0,0,0|1,0,0]=3 1227 B8R1.4 Cc1cc(cnc1)Cl TS66000 [2,0,0,0,0,0|2,0,0]=4 1228 B8R1.4 Cc1cc(cnc1)F TS70587 [2,0,0,0,0,0|2,0,0]=4 1229 B8R1.4 Cc1cc(cnc1)N TS02653 [2,0,0,0,0,0|2,0,0]=4 1230 B8R1.4 Cc1cc(cnc1)O TS70616 [2,0,0,0,0,0|1,0,0]=3 1231 B8R1.4 Cc1cc(ncn1)C TS02936 [2,0,0,0,0,0|2,0,0]=4 1232 B8R1.4 Cc1cc(ncn1)O TS71161 [2,0,0,0,0,0|2,0,0]=4 1233 B8R1.4 Cc1cccc(c1)Br TS39711 [2,0,0,0,0,0|1,0,0]=3 1234 B8R1.4 Cc1cccc(c1)C TS04101 [2,0,0,0,0,0|0,0,0]=2 1235 B8R1.4 Cc1cccc(c1)Cl TS36194 [2,0,0,0,0,0|1,0,0]=3 1236 B8R1.4 Cc1cccc(c1)F TS31827 [2,0,0,0,0,0|1,0,0]=3 1237 B8R1.4 Cc1cccc(c1)I TS49342 [2,0,0,0,0,0|1,0,0]=3 1238 B8R1.4 Cc1cccc(c1)N TS04111 [2,0,0,0,0,0|1,0,0]=3 1239 B8R1.4 Cc1cccc(c1)N TS40126 [2,0,0,0,0,0|1,0,0]=3 1240 B8R1.4 Cc1cccc(c1)O TS31767 [2,0,0,0,0,0|0,0,0]=2 1241 B8R1.4 Cc1cccc(c1)S TS05038 [2,0,0,0,0,0|0,1,0]=3 1242 B8R1.4 Cc1cccc(n1)Br TS08371 [2,0,0,0,0,0|2,0,0]=4 1243 B8R1.4 Cc1cccc(n1)Br TS94756 [2,0,0,0,0,0|2,0,0]=4 1244 B8R1.4 Cc1cccc(n1)C TS60248 [2,0,0,0,0,0|1,0,0]=3 1245 B8R1.4 Cc1cccc(n1)Cl TS00936 [2,0,0,0,0,0|2,0,0]=4 1246 B8R1.4 Cc1cccc(n1)F TS55370 [2,0,0,0,0,0|2,0,0]=4 1247 B8R1.4 Cc1cccc(n1)I TS59623 [2,0,0,0,0,0|2,0,0]=4 1248 B8R1.4 Cc1cccc(n1)N TS47459 [2,0,0,0,0,0|2,0,0]=4 1249 B8R1.4 Cc1cccc(n1)O TS01270 [2,0,0,0,0,0|1,0,0]=3 1250 B8R1.4 Cc1cccc(n1)S TS05106 [2,0,0,0,0,0|1,1,0]=4 1251 B8R1.4 Cc1cccn(=O)c1 TS02882 [2,0,0,0,0,0|1,0,1]=4 1252 B8R1.4 Cc1ccnc(c1)Br TS08333 [2,0,0,0,0,0|2,0,0]=4 1253 B8R1.4 Cc1ccnc(c1)C TS07700 [2,0,0,0,0,0|1,0,0]=3 1254 B8R1.4 Cc1ccnc(c1)Cl TS55236 [2,0,0,0,0,0|2,0,0]=4 1255 B8R1.4 Cc1ccnc(c1)F TS85429 [2,0,0,0,0,0|2,0,0]=4 1256 B8R1.4 Cc1ccnc(c1)I TS33096 [2,0,0,0,0,0|2,0,0]=4 1257 B8R1.4 Cc1ccnc(c1)O TS01045 [2,0,0,0,0,0|1,0,0]=3 1258 B8R1.4 Cc1ccnc(n1)O TS01046 [2,0,0,0,0,0|2,0,0]=4 1259 B8R1.4 Cc1cncc(n1)C TS31775 [2,0,0,0,0,0|2,0,0]=4 1260 B8R1.4 Cc1cncc(n1)O TS01059 [2,0,0,0,0,0|2,0,0]=4 1261 B8R1.4 Cc1nccc(n1)O TS03106 [2,0,0,0,0,0|2,0,0]=4 1262 B8R1.4 c1c(cncc1Br)O TS65929 [2,0,0,0,0,0|2,0,0]=4 1263 B8R1.4 c1c(cncc1Cl)O TS03267 [2,0,0,0,0,0|2,0,0]=4 1264 B8R1.4 c1c(cncc1F)O TS70584 [2,0,0,0,0,0|2,0,0]=4 1265 B8R1.4 c1c(cncc1O)N TS31814 [2,0,0,0,0,0|2,0,0]=4 1266 B8R1.4 c1c(cncc1O)O TS02592 [2,0,0,0,0,0|2,0,0]=4 1267 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [2,0,0,0,0,0|2,0,0]=4 1268 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [2,0,0,0,0,0|2,0,0]=4 1269 B8R1.4 c1cc(cc(c1)Br)F TS65943 [2,0,0,0,0,0|2,0,0]=4 1270 B8R1.4 c1cc(cc(c1)Br)N TS60009 [2,0,0,0,0,0|2,0,0]=4 1271 B8R1.4 c1cc(cc(c1)Br)O TS65958 [2,0,0,0,0,0|1,0,0]=3 1272 B8R1.4 c1cc(cc(c1)Br)S TS09503 [2,0,0,0,0,0|1,1,0]=4 1273 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [2,0,0,0,0,0|2,0,0]=4 1274 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [2,0,0,0,0,0|2,0,0]=4 1275 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [2,0,0,0,0,0|2,0,0]=4 1276 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [2,0,0,0,0,0|2,0,0]=4 1277 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [2,0,0,0,0,0|1,0,0]=3 1278 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [2,0,0,0,0,0|1,1,0]=4 1279 B8R1.4 c1cc(cc(c1)F)F TS07881 [2,0,0,0,0,0|2,0,0]=4 1280 B8R1.4 c1cc(cc(c1)F)N TS07389 [2,0,0,0,0,0|2,0,0]=4 1281 B8R1.4 c1cc(cc(c1)F)N TS70590 [2,0,0,0,0,0|2,0,0]=4 1282 B8R1.4 c1cc(cc(c1)F)O TS70601 [2,0,0,0,0,0|1,0,0]=3 1283 B8R1.4 c1cc(cc(c1)I)Br TS46926 [2,0,0,0,0,0|2,0,0]=4 1284 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [2,0,0,0,0,0|2,0,0]=4 1285 B8R1.4 c1cc(cc(c1)I)F TS70597 [2,0,0,0,0,0|2,0,0]=4 1286 B8R1.4 c1cc(cc(c1)I)I TS65281 [2,0,0,0,0,0|2,0,0]=4 1287 B8R1.4 c1cc(cc(c1)I)N TS39444 [2,0,0,0,0,0|2,0,0]=4 1288 B8R1.4 c1cc(cc(c1)I)O TS49693 [2,0,0,0,0,0|1,0,0]=3 1289 B8R1.4 c1cc(cc(c1)N)N TS31777 [2,0,0,0,0,0|2,0,0]=4 1290 B8R1.4 c1cc(cc(c1)N)N TS38980 [2,0,0,0,0,0|2,0,0]=4 1291 B8R1.4 c1cc(cc(c1)N)N TS48030 [2,0,0,0,0,0|2,0,0]=4 1292 B8R1.4 c1cc(cc(c1)O)N TS07147 [2,0,0,0,0,0|1,0,0]=3 1293 B8R1.4 c1cc(cc(c1)O)N TS39704 [2,0,0,0,0,0|1,0,0]=3 1294 B8R1.4 c1cc(cc(c1)O)O TS04191 [2,0,0,0,0,0|1,0,0]=3 1295 B8R1.4 c1cc(cc(c1)S)F TS02772 [2,0,0,0,0,0|1,1,0]=4 1296 B8R1.4 c1cc(cc(c1)S)N TS05107 [2,0,0,0,0,0|1,1,0]=4 1297 B8R1.4 c1cc(cc(c1)S)O TS00159 [2,0,0,0,0,0|1,0,0]=3 1298 B8R1.4 c1cc(cc(c1)S)S TS06771 [2,0,0,0,0,0|1,1,0]=4 1299 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [2,0,0,0,0,0|2,0,0]=4 1300 B8R1.4 c1cc(cn(=O)c1)O TS04234 [2,0,0,0,0,0|2,0,0]=4 1301 B8R1.4 c1cc(nc(c1)Br)O TS08364 [2,0,0,0,0,0|2,0,0]=4 1302 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [2,0,0,0,0,0|2,0,0]=4 1303 B8R1.4 c1cc(nc(c1)F)O TS32004 [2,0,0,0,0,0|2,0,0]=4 1304 B8R1.4 c1cc(nc(c1)O)N TS00808 [2,0,0,0,0,0|2,0,0]=4 1305 B8R1.4 c1cc(nc(c1)O)O TS07388 [2,0,0,0,0,0|2,0,0]=4 1306 B8R1.4 c1cc(nc(c1)O)O TS47313 [2,0,0,0,0,0|2,0,0]=4 1307 B8R1.4 c1cnc(cc1Br)O TS70957 [2,0,0,0,0,0|2,0,0]=4 1308 B8R1.4 c1cnc(cc1Cl)O TS03047 [2,0,0,0,0,0|2,0,0]=4 1309 B8R1.4 c1cnc(cc1F)O TS32002 [2,0,0,0,0,0|2,0,0]=4 1310 B8R1.4 c1cnc(cc1N)O TS02965 [2,0,0,0,0,0|2,0,0]=4 1311 B8R1.4 c1cnc(cc1N)O TS86931 [2,0,0,0,0,0|2,0,0]=4 1312 B8R1.4 c1cnc(cc1O)Br TS08324 [2,0,0,0,0,0|2,0,0]=4 1313 B8R1.4 c1cnc(cc1O)Cl TS55220 [2,0,0,0,0,0|2,0,0]=4 1314 B8R1.4 c1cnc(cc1O)F TS32003 [2,0,0,0,0,0|2,0,0]=4 1315 B8R1.4 c1cnc(cc1O)N TS47399 [2,0,0,0,0,0|2,0,0]=4 1316 B8R1.4 c1cnc(cc1O)O TS04243 [2,0,0,0,0,0|2,0,0]=4 1317 B8R1.5 C[n+]1ccccc1Cl TS08381 [2,0,0,0,0,0|2,0,0]=4 1318 B8R1.5 C[n+]1ccccc1Cl TS20654 [2,0,0,0,0,0|2,0,0]=4 1319 B8R1.5 Cc1c(cccn1)Br TS65908 [2,0,0,0,0,0|2,0,0]=4 1320 B8R1.5 Cc1c(cccn1)Cl TS65978 [2,0,0,0,0,0|2,0,0]=4 1321 B8R1.5 Cc1c(cccn1)F TS70573 [2,0,0,0,0,0|2,0,0]=4 1322 B8R1.5 Cc1c(cccn1)I TS02809 [2,0,0,0,0,0|2,0,0]=4 1323 B8R1.5 Cc1c(cccn1)N TS31778 [2,0,0,0,0,0|2,0,0]=4 1324 B8R1.5 Cc1c(cccn1)O TS87617 [2,0,0,0,0,0|1,0,0]=3 1325 B8R1.5 Cc1c(nccn1)O TS55386 [2,0,0,0,0,0|2,0,0]=4 1326 B8R1.5 Cc1ccc[nH]c1=O TS55401 [2,0,0,0,0,0|1,0,1]=4 1327 B8R1.5 Cc1cccc[n+]1C TS25681 [2,0,0,0,0,0|2,0,0]=4 1328 B8R1.5 Cc1ccccc1Br TS00024 [2,0,0,0,0,0|1,0,0]=3 1329 B8R1.5 Cc1ccccc1C TS04099 [2,0,0,0,0,0|1,0,0]=3 1330 B8R1.5 Cc1ccccc1Cl TS36192 [2,0,0,0,0,0|1,0,0]=3 1331 B8R1.5 Cc1ccccc1F TS31828 [2,0,0,0,0,0|1,0,0]=3 1332 B8R1.5 Cc1ccccc1I TS49343 [2,0,0,0,0,0|1,0,0]=3 1333 B8R1.5 Cc1ccccc1N TS40130 [2,0,0,0,0,0|1,0,0]=3 1334 B8R1.5 Cc1ccccc1N TS46845 [2,0,0,0,0,0|1,0,0]=3 1335 B8R1.5 Cc1ccccc1O TS31768 [2,0,0,0,0,0|0,0,0]=2 1336 B8R1.5 Cc1ccccc1S TS05037 [2,0,0,0,0,0|0,1,0]=3 1337 B8R1.5 Cc1ccccn1=O TS00106 [2,0,0,0,0,0|1,0,1]=4 1338 B8R1.5 Cc1cccnc1Br TS08310 [2,0,0,0,0,0|2,0,0]=4 1339 B8R1.5 Cc1cccnc1C TS07903 [2,0,0,0,0,0|2,0,0]=4 1340 B8R1.5 Cc1cccnc1Cl TS55203 [2,0,0,0,0,0|2,0,0]=4 1341 B8R1.5 Cc1cccnc1F TS08402 [2,0,0,0,0,0|2,0,0]=4 1342 B8R1.5 Cc1cccnc1I TS01069 [2,0,0,0,0,0|2,0,0]=4 1343 B8R1.5 Cc1cccnc1N TS00720 [2,0,0,0,0,0|2,0,0]=4 1344 B8R1.5 Cc1cccnc1N TS01794 [2,0,0,0,0,0|2,0,0]=4 1345 B8R1.5 Cc1cccnc1O TS31800 [2,0,0,0,0,0|1,0,0]=3 1346 B8R1.5 Cc1cccnc1[Zn+] TS26092 [2,0,0,0,0,0|2,0,0]=4 1347 B8R1.5 Cc1ccncc1Br TS09458 [2,0,0,0,0,0|2,0,0]=4 1348 B8R1.5 Cc1ccncc1C TS00124 [2,0,0,0,0,0|2,0,0]=4 1349 B8R1.5 Cc1ccncc1Cl TS65986 [2,0,0,0,0,0|2,0,0]=4 1350 B8R1.5 Cc1ccncc1F TS70582 [2,0,0,0,0,0|2,0,0]=4 1351 B8R1.5 Cc1ccncc1N TS02641 [2,0,0,0,0,0|2,0,0]=4 1352 B8R1.5 Cc1ccncc1O TS03183 [2,0,0,0,0,0|1,0,0]=3 1353 B8R1.5 Cc1cnccc1Br TS39326 [2,0,0,0,0,0|2,0,0]=4 1354 B8R1.5 Cc1cnccc1Br TS88793 [2,0,0,0,0,0|2,0,0]=4 1355 B8R1.5 Cc1cnccc1F TS71122 [2,0,0,0,0,0|2,0,0]=4 1356 B8R1.5 Cc1cnccc1N TS70892 [2,0,0,0,0,0|2,0,0]=4 1357 B8R1.5 Cc1cnccc1O TS70666 [2,0,0,0,0,0|1,0,0]=3 1358 B8R1.5 Cc1cncnc1O TS59515 [2,0,0,0,0,0|2,0,0]=4 1359 B8R1.5 Cn1ccccc1=O TS31799 [2,0,0,0,0,0|1,0,1]=4 1360 B8R1.5 Cn1ccccc1=S TS05102 [2,0,0,0,0,0|1,1,0]=4 1361 B8R1.5 c1cc(c(=O)oc1)O TS00155 [2,0,0,0,0,0|1,0,1]=4 1362 B8R1.5 c1cc(c(nc1)Br)O TS08304 [2,0,0,0,0,0|2,0,0]=4 1363 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [2,0,0,0,0,0|2,0,0]=4 1364 B8R1.5 c1cc(c(nc1)F)O TS55326 [2,0,0,0,0,0|2,0,0]=4 1365 B8R1.5 c1cc(c(nc1)I)O TS01068 [2,0,0,0,0,0|2,0,0]=4 1366 B8R1.5 c1cc(c(nc1)N)O TS07282 [2,0,0,0,0,0|2,0,0]=4 1367 B8R1.5 c1cc(c(nc1)N)O TS47366 [2,0,0,0,0,0|2,0,0]=4 1368 B8R1.5 c1cc(c(nc1)O)Br TS09496 [2,0,0,0,0,0|2,0,0]=4 1369 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [2,0,0,0,0,0|2,0,0]=4 1370 B8R1.5 c1cc(c(nc1)O)F TS70564 [2,0,0,0,0,0|2,0,0]=4 1371 B8R1.5 c1cc(c(nc1)O)N TS31820 [2,0,0,0,0,0|2,0,0]=4 1372 B8R1.5 c1cc(c(nc1)O)O TS04242 [2,0,0,0,0,0|1,0,0]=3 1373 B8R1.5 c1cc(c(nc1)S)O TS05265 [2,0,0,0,0,0|1,1,0]=4 1374 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [2,0,0,0,0,0|1,0,1]=4 1375 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [2,0,0,0,0,0|2,0,0]=4 1376 B8R1.5 c1ccc(c(c1)Br)I TS65287 [2,0,0,0,0,0|2,0,0]=4 1377 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [2,0,0,0,0,0|2,0,0]=4 1378 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [2,0,0,0,0,0|2,0,0]=4 1379 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [2,0,0,0,0,0|2,0,0]=4 1380 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [2,0,0,0,0,0|2,0,0]=4 1381 B8R1.5 c1ccc(c(c1)F)Br TS46916 [2,0,0,0,0,0|2,0,0]=4 1382 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [2,0,0,0,0,0|2,0,0]=4 1383 B8R1.5 c1ccc(c(c1)F)F TS07875 [2,0,0,0,0,0|2,0,0]=4 1384 B8R1.5 c1ccc(c(c1)F)I TS65430 [2,0,0,0,0,0|2,0,0]=4 1385 B8R1.5 c1ccc(c(c1)F)S TS46406 [2,0,0,0,0,0|1,1,0]=4 1386 B8R1.5 c1ccc(c(c1)I)I TS65275 [2,0,0,0,0,0|2,0,0]=4 1387 B8R1.5 c1ccc(c(c1)N)Br TS20655 [2,0,0,0,0,0|2,0,0]=4 1388 B8R1.5 c1ccc(c(c1)N)Br TS55149 [2,0,0,0,0,0|2,0,0]=4 1389 B8R1.5 c1ccc(c(c1)N)F TS39663 [2,0,0,0,0,0|2,0,0]=4 1390 B8R1.5 c1ccc(c(c1)N)I TS01078 [2,0,0,0,0,0|2,0,0]=4 1391 B8R1.5 c1ccc(c(c1)N)N TS31770 [2,0,0,0,0,0|2,0,0]=4 1392 B8R1.5 c1ccc(c(c1)N)N TS38979 [2,0,0,0,0,0|2,0,0]=4 1393 B8R1.5 c1ccc(c(c1)N)N TS48029 [2,0,0,0,0,0|2,0,0]=4 1394 B8R1.5 c1ccc(c(c1)N)O TS00817 [2,0,0,0,0,0|1,0,0]=3 1395 B8R1.5 c1ccc(c(c1)N)O TS07143 [2,0,0,0,0,0|1,0,0]=3 1396 B8R1.5 c1ccc(c(c1)N)O TS76832 [2,0,0,0,0,0|1,0,0]=3 1397 B8R1.5 c1ccc(c(c1)N)S TS47467 [2,0,0,0,0,0|1,1,0]=4 1398 B8R1.5 c1ccc(c(c1)O)Br TS00855 [2,0,0,0,0,0|1,0,0]=3 1399 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [2,0,0,0,0,0|1,0,0]=3 1400 B8R1.5 c1ccc(c(c1)O)F TS04282 [2,0,0,0,0,0|1,0,0]=3 1401 B8R1.5 c1ccc(c(c1)O)I TS49691 [2,0,0,0,0,0|1,0,0]=3 1402 B8R1.5 c1ccc(c(c1)O)O TS01670 [2,0,0,0,0,0|0,0,0]=2 1403 B8R1.5 c1ccc(c(c1)O)S TS36136 [2,0,0,0,0,0|0,1,0]=3 1404 B8R1.5 c1ccc(c(c1)P)P TS06642 [2,0,0,0,0,0|2,0,0]=4 1405 B8R1.5 c1ccc(c(c1)S)Br TS50856 [2,0,0,0,0,0|1,1,0]=4 1406 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [2,0,0,0,0,0|1,1,0]=4 1407 B8R1.5 c1ccc(c(c1)S)S TS06772 [2,0,0,0,0,0|0,2,0]=4 1408 B8R1.5 c1ccn(=O)c(c1)O TS04239 [2,0,0,0,0,0|1,0,1]=4 1409 B8R1.5 c1cnc(c(n1)O)O TS04272 [2,0,0,0,0,0|2,0,0]=4 1410 B8R1.5 c1cncc(c1Br)O TS09582 [2,0,0,0,0,0|2,0,0]=4 1411 B8R1.5 c1cncc(c1Cl)O TS09640 [2,0,0,0,0,0|2,0,0]=4 1412 B8R1.5 c1cncc(c1O)Br TS09465 [2,0,0,0,0,0|2,0,0]=4 1413 B8R1.5 c1cncc(c1O)Cl TS02695 [2,0,0,0,0,0|2,0,0]=4 1414 B8R1.5 c1cncc(c1O)F TS02748 [2,0,0,0,0,0|2,0,0]=4 1415 B8R1.5 c1cncc(c1O)N TS65860 [2,0,0,0,0,0|2,0,0]=4 1416 B8R1.5 c1cncc(c1O)O TS59374 [2,0,0,0,0,0|1,0,0]=3 1417 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [2,0,0,0,0,0|1,0,1]=4 1418 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [2,0,0,0,0,0|1,0,1]=4 1419 B8R1.3 Cc1cc[n+](cc1)C TS25680 [2,0,0,0,0,0|2,0,0]=4 1420 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [2,0,0,0,0,0|1,0,1]=4 1421 B8R1.3 Cc1ccc(cc1)Br TS09620 [2,0,0,0,0,0|1,0,0]=3 1422 B8R1.3 Cc1ccc(cc1)C TS04096 [2,0,0,0,0,0|1,0,0]=3 1423 B8R1.3 Cc1ccc(cc1)C TS77016 [2,0,0,0,0,0|1,0,0]=3 1424 B8R1.3 Cc1ccc(cc1)Cl TS39593 [2,0,0,0,0,0|1,0,0]=3 1425 B8R1.3 Cc1ccc(cc1)F TS31829 [2,0,0,0,0,0|1,0,0]=3 1426 B8R1.3 Cc1ccc(cc1)I TS07804 [2,0,0,0,0,0|1,0,0]=3 1427 B8R1.3 Cc1ccc(cc1)I TS67797 [2,0,0,0,0,0|1,0,0]=3 1428 B8R1.3 Cc1ccc(cc1)N TS04112 [2,0,0,0,0,0|1,0,0]=3 1429 B8R1.3 Cc1ccc(cc1)N TS40127 [2,0,0,0,0,0|1,0,0]=3 1430 B8R1.3 Cc1ccc(cc1)O TS05157 [2,0,0,0,0,0|0,0,0]=2 1431 B8R1.3 Cc1ccc(cc1)O TS94395 [2,0,0,0,0,0|0,0,0]=2 1432 B8R1.3 Cc1ccc(cc1)P TS32593 [2,0,0,0,0,0|1,0,0]=3 1433 B8R1.3 Cc1ccc(cc1)S TS39763 [2,0,0,0,0,0|0,1,0]=3 1434 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [2,0,0,0,0,0|1,0,0]=3 1435 B8R1.3 Cc1ccc(cn1)Br TS09799 [2,0,0,0,0,0|2,0,0]=4 1436 B8R1.3 Cc1ccc(cn1)Cl TS71507 [2,0,0,0,0,0|2,0,0]=4 1437 B8R1.3 Cc1ccc(cn1)F TS03302 [2,0,0,0,0,0|2,0,0]=4 1438 B8R1.3 Cc1ccc(cn1)I TS71574 [2,0,0,0,0,0|2,0,0]=4 1439 B8R1.3 Cc1ccc(cn1)N TS65872 [2,0,0,0,0,0|2,0,0]=4 1440 B8R1.3 Cc1ccc(cn1)O TS71569 [2,0,0,0,0,0|1,0,0]=3 1441 B8R1.3 Cc1ccc(nc1)Br TS55127 [2,0,0,0,0,0|2,0,0]=4 1442 B8R1.3 Cc1ccc(nc1)C TS47280 [2,0,0,0,0,0|2,0,0]=4 1443 B8R1.3 Cc1ccc(nc1)Cl TS00914 [2,0,0,0,0,0|2,0,0]=4 1444 B8R1.3 Cc1ccc(nc1)F TS01010 [2,0,0,0,0,0|2,0,0]=4 1445 B8R1.3 Cc1ccc(nc1)N TS07049 [2,0,0,0,0,0|2,0,0]=4 1446 B8R1.3 Cc1ccc(nc1)N TS47444 [2,0,0,0,0,0|2,0,0]=4 1447 B8R1.3 Cc1ccc(nc1)O TS01053 [2,0,0,0,0,0|1,0,0]=3 1448 B8R1.3 Cc1ccc(nc1)S TS05105 [2,0,0,0,0,0|1,1,0]=4 1449 B8R1.3 Cc1ccn(=O)cc1 TS09774 [2,0,0,0,0,0|1,0,1]=4 1450 B8R1.3 Cc1ncc(cn1)O TS02449 [2,0,0,0,0,0|2,0,0]=4 1451 B8R1.3 c1c[n+](ccc1O)[O-] TS04235 [2,0,0,0,0,0|2,0,0]=4 1452 B8R1.3 c1cc(ccc1Br)Br TS07885 [2,0,0,0,0,0|2,0,0]=4 1453 B8R1.3 c1cc(ccc1Br)I TS00413 [2,0,0,0,0,0|2,0,0]=4 1454 B8R1.3 c1cc(ccc1Cl)Br TS09601 [2,0,0,0,0,0|2,0,0]=4 1455 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [2,0,0,0,0,0|2,0,0]=4 1456 B8R1.3 c1cc(ccc1Cl)I TS64993 [2,0,0,0,0,0|2,0,0]=4 1457 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [2,0,0,0,0,0|2,0,0]=4 1458 B8R1.3 c1cc(ccc1F)Br TS09602 [2,0,0,0,0,0|2,0,0]=4 1459 B8R1.3 c1cc(ccc1F)Cl TS09203 [2,0,0,0,0,0|2,0,0]=4 1460 B8R1.3 c1cc(ccc1F)F TS59891 [2,0,0,0,0,0|2,0,0]=4 1461 B8R1.3 c1cc(ccc1F)I TS39508 [2,0,0,0,0,0|2,0,0]=4 1462 B8R1.3 c1cc(ccc1F)S TS05333 [2,0,0,0,0,0|1,1,0]=4 1463 B8R1.3 c1cc(ccc1F)S TS12288 [2,0,0,0,0,0|1,1,0]=4 1464 B8R1.3 c1cc(ccc1I)I TS46809 [2,0,0,0,0,0|2,0,0]=4 1465 B8R1.3 c1cc(ccc1N)Br TS70992 [2,0,0,0,0,0|2,0,0]=4 1466 B8R1.3 c1cc(ccc1N)Cl TS42659 [2,0,0,0,0,0|2,0,0]=4 1467 B8R1.3 c1cc(ccc1N)Cl TS71059 [2,0,0,0,0,0|2,0,0]=4 1468 B8R1.3 c1cc(ccc1N)F TS71137 [2,0,0,0,0,0|2,0,0]=4 1469 B8R1.3 c1cc(ccc1N)I TS71193 [2,0,0,0,0,0|2,0,0]=4 1470 B8R1.3 c1cc(ccc1N)N TS38978 [2,0,0,0,0,0|2,0,0]=4 1471 B8R1.3 c1cc(ccc1N)O TS07145 [2,0,0,0,0,0|1,0,0]=3 1472 B8R1.3 c1cc(ccc1N)O TS59709 [2,0,0,0,0,0|1,0,0]=3 1473 B8R1.3 c1cc(ccc1N)S TS39734 [2,0,0,0,0,0|1,1,0]=4 1474 B8R1.3 c1cc(ccc1O)Cl TS36377 [2,0,0,0,0,0|1,0,0]=3 1475 B8R1.3 c1cc(ccc1O)Cl TS40947 [2,0,0,0,0,0|1,0,0]=3 1476 B8R1.3 c1cc(ccc1O)F TS33165 [2,0,0,0,0,0|1,0,0]=3 1477 B8R1.3 c1cc(ccc1O)I TS59518 [2,0,0,0,0,0|1,0,0]=3 1478 B8R1.3 c1cc(ccc1O)O TS01676 [2,0,0,0,0,0|1,0,0]=3 1479 B8R1.3 c1cc(ccc1O)O TS02292 [2,0,0,0,0,0|1,0,0]=3 1480 B8R1.3 c1cc(ccc1O)O TS24537 [2,0,0,0,0,0|1,0,0]=3 1481 B8R1.3 c1cc(ccc1O)S TS36138 [2,0,0,0,0,0|1,0,0]=3 1482 B8R1.3 c1cc(ccc1S)Br TS39741 [2,0,0,0,0,0|1,1,0]=4 1483 B8R1.3 c1cc(ccc1S)Cl TS07052 [2,0,0,0,0,0|1,1,0]=4 1484 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [2,0,0,0,0,0|2,0,0]=4 1485 B8R1.3 c1cc(ncc1Br)O TS09781 [2,0,0,0,0,0|2,0,0]=4 1486 B8R1.3 c1cc(ncc1Cl)O TS71496 [2,0,0,0,0,0|2,0,0]=4 1487 B8R1.3 c1cc(ncc1F)O TS71538 [2,0,0,0,0,0|2,0,0]=4 1488 B8R1.3 c1cc(ncc1I)O TS60294 [2,0,0,0,0,0|2,0,0]=4 1489 B8R1.3 c1cc(ncc1N)O TS07283 [2,0,0,0,0,0|2,0,0]=4 1490 B8R1.3 c1cc(ncc1N)O TS71362 [2,0,0,0,0,0|2,0,0]=4 1491 B8R1.3 c1cc(ncc1O)Br TS08346 [2,0,0,0,0,0|2,0,0]=4 1492 B8R1.3 c1cc(ncc1O)Cl TS55249 [2,0,0,0,0,0|2,0,0]=4 1493 B8R1.3 c1cc(ncc1O)F TS01000 [2,0,0,0,0,0|2,0,0]=4 1494 B8R1.3 c1cc(ncc1O)I TS23214 [2,0,0,0,0,0|2,0,0]=4 1495 B8R1.3 c1cc(ncc1O)N TS00790 [2,0,0,0,0,0|2,0,0]=4 1496 B8R1.3 c1cc(ncc1O)O TS47263 [2,0,0,0,0,0|2,0,0]=4 1497 B10R1.2 CCc1cccc(c1C)C TS36862 [1,1,0,0,0,0|1,0,0]=3 1498 B10R1.2 CCc1cccc(c1O)C TS06085 [1,1,0,0,0,0|1,0,0]=3 1499 B10R1.2 COc1c(c(ccn1)N)Br TS91261 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.2 COc1cccc(c1Br)F TS08297 [1,1,0,0,0,0|1,0,0]=3 1501 B10R1.2 COc1cccc(c1Br)N TS39650 [1,1,0,0,0,0|1,0,0]=3 1502 B10R1.2 COc1cccc(c1Br)O TS38374 [1,1,0,0,0,0|1,0,0]=3 1503 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [1,1,0,0,0,0|1,0,0]=3 1504 B10R1.2 COc1cccc(c1Cl)N TS55195 [1,1,0,0,0,0|1,0,0]=3 1505 B10R1.2 COc1cccc(c1F)Br TS65479 [1,1,0,0,0,0|1,0,0]=3 1506 B10R1.2 COc1cccc(c1F)Cl TS42232 [1,1,0,0,0,0|1,0,0]=3 1507 B10R1.2 COc1cccc(c1F)F TS02338 [1,1,0,0,0,0|1,0,0]=3 1508 B10R1.2 COc1cccc(c1F)O TS37550 [1,1,0,0,0,0|1,0,0]=3 1509 B10R1.2 COc1cccc(c1I)F TS09365 [1,1,0,0,0,0|1,0,0]=3 1510 B10R1.2 COc1cccc(c1N)F TS55365 [1,1,0,0,0,0|1,0,0]=3 1511 B10R1.2 COc1cccc(c1O)Br TS87716 [1,1,0,0,0,0|1,0,0]=3 1512 B10R1.2 COc1cccc(c1O)F TS65426 [1,1,0,0,0,0|1,0,0]=3 1513 B10R1.2 COc1cccc(c1O)O TS60018 [1,1,0,0,0,0|1,0,0]=3 1514 B10R1.2 COc1cccn(=O)c1Br TS19666 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.2 COc1ccnc(c1I)N TS62788 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [1,1,0,0,0,0|1,0,0]=3 1517 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [1,1,0,0,0,0|1,1,0]=4 1518 B10R1.2 Cc1c(cccc1OC)N TS70644 [1,1,0,0,0,0|1,0,0]=3 1519 B10R1.2 Cc1cccc(c1C)C#N TS05675 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.2 Cc1cccc(c1C)C=O TS59680 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.2 Cc1cccc(c1C)CBr TS46745 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.2 Cc1cccc(c1C)CCl TS41469 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.2 Cc1cccc(c1C)CN TS36950 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.2 Cc1cccc(c1C)CO TS37020 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.2 Cc1cccc(c1C)NN TS13271 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.2 Cc1cccc(c1C)NN TS51214 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.2 Cc1cccc(c1C)OC TS02345 [1,1,0,0,0,0|0,0,0]=2 1528 B10R1.2 Cc1cccc(c1Cl)C#N TS32910 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.2 Cc1cccc(c1F)C#N TS02161 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.2 Cc1cccc(c1F)C=O TS37170 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.2 Cc1cccc(c1F)CBr TS09289 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.2 Cc1cccc(c1N)OC TS01100 [1,1,0,0,0,0|0,0,0]=2 1533 B10R1.2 Cc1cccc(c1O)C=O TS36989 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.2 Cc1cccc(c1O)OC TS55384 [1,1,0,0,0,0|0,0,0]=2 1535 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [1,1,0,0,0,0|1,0,0]=3 1536 B10R1.2 Cc1ccnc(c1N)OC TS06277 [1,1,0,0,0,0|1,0,0]=3 1537 B10R1.8 CCc1cc(cc(c1)C)C TS36869 [1,1,0,0,0,0|1,0,0]=3 1538 B10R1.8 CCc1cc(cc(c1)F)F TS32871 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.8 CCc1cc(cc(c1)O)C TS06074 [1,1,0,0,0,0|1,0,0]=3 1540 B10R1.8 COc1cc(cc(c1)Br)Br TS59595 [1,1,0,0,0,0|1,0,0]=3 1541 B10R1.8 COc1cc(cc(c1)Br)F TS65926 [1,1,0,0,0,0|1,0,0]=3 1542 B10R1.8 COc1cc(cc(c1)Cl)Cl TS59597 [1,1,0,0,0,0|1,0,0]=3 1543 B10R1.8 COc1cc(cc(c1)Cl)F TS39999 [1,1,0,0,0,0|1,0,0]=3 1544 B10R1.8 COc1cc(cc(c1)Cl)O TS32936 [1,1,0,0,0,0|1,0,0]=3 1545 B10R1.8 COc1cc(cc(c1)F)F TS65798 [1,1,0,0,0,0|1,0,0]=3 1546 B10R1.8 COc1cc(cc(c1)O)O TS55472 [1,1,0,0,0,0|1,0,0]=3 1547 B10R1.8 CSc1cc(cc(c1)Cl)Cl TS51590 [1,1,0,0,0,0|1,1,0]=4 1548 B10R1.8 Cc1cc(=O)nc([nH]1)OC TS06442 [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.8 Cc1cc(cc(=O)o1)OC TS37345 [1,1,0,0,0,0|1,0,0]=3 1550 B10R1.8 Cc1cc(cc(c1)Br)OC TS46928 [1,1,0,0,0,0|0,0,0]=2 1551 B10R1.8 Cc1cc(cc(c1)C#N)C TS65811 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.8 Cc1cc(cc(c1)C=O)C TS08854 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.8 Cc1cc(cc(c1)CBr)C TS65814 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.8 Cc1cc(cc(c1)CCl)C TS41467 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.8 Cc1cc(cc(c1)CN)C TS65813 [1,1,0,0,0,0|2,0,0]=4 1556 B10R1.8 Cc1cc(cc(c1)CO)C TS06084 [1,1,0,0,0,0|2,0,0]=4 1557 B10R1.8 Cc1cc(cc(c1)Cl)OC TS41723 [1,1,0,0,0,0|0,0,0]=2 1558 B10R1.8 Cc1cc(cc(c1)F)C#N TS59692 [1,1,0,0,0,0|2,0,0]=4 1559 B10R1.8 Cc1cc(cc(c1)F)C=O TS09382 [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.8 Cc1cc(cc(c1)NN)C TS32788 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.8 Cc1cc(cc(c1)OC)C TS06080 [1,1,0,0,0,0|0,0,0]=2 1562 B10R1.8 Cc1cc(cc(c1)OC)O TS06245 [1,1,0,0,0,0|0,0,0]=2 1563 B10R1.8 Cc1cc(cc(c1)[Mg]Br)C TS20786 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.8 Cc1cc(nc(n1)N)OC TS06378 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.8 Cc1cc(nc(n1)OC)C TS01090 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.10 CCCc1cccc(c1)C TS36863 [1,1,0,0,0,0|1,0,0]=3 1567 B10R1.10 CCCc1cccc(c1)O TS70692 [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.10 CCNc1cccc(c1)C TS06008 [1,1,0,0,0,0|1,0,0]=3 1569 B10R1.10 CCOc1cc(ccn1)Br TS39324 [1,1,0,0,0,0|2,0,0]=4 1570 B10R1.10 CCOc1cc(ccn1)N TS39272 [1,1,0,0,0,0|2,0,0]=4 1571 B10R1.10 CCOc1cc(cnc1)Br TS32931 [1,1,0,0,0,0|2,0,0]=4 1572 B10R1.10 CCOc1cc(ncn1)C TS06273 [1,1,0,0,0,0|2,0,0]=4 1573 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,1,0,0,0,0|1,0,0]=3 1574 B10R1.10 CCOc1cccc(c1)C TS06098 [1,1,0,0,0,0|0,0,0]=2 1575 B10R1.10 CCOc1cccc(c1)F TS37372 [1,1,0,0,0,0|1,0,0]=3 1576 B10R1.10 CCOc1cccc(c1)N TS37121 [1,1,0,0,0,0|1,0,0]=3 1577 B10R1.10 CCOc1cccc(c1)O TS06261 [1,1,0,0,0,0|1,0,0]=3 1578 B10R1.10 CCOc1cccc(c1)S TS41409 [1,1,0,0,0,0|1,0,0]=3 1579 B10R1.10 CCOc1cccc(n1)Br TS19319 [1,1,0,0,0,0|2,0,0]=4 1580 B10R1.10 CCOc1cccc(n1)Cl TS41836 [1,1,0,0,0,0|2,0,0]=4 1581 B10R1.10 CCOc1cccc(n1)N TS37195 [1,1,0,0,0,0|2,0,0]=4 1582 B10R1.10 CCOc1ccnc(c1)Cl TS10912 [1,1,0,0,0,0|2,0,0]=4 1583 B10R1.10 CCOc1ccnc(c1)F TS06579 [1,1,0,0,0,0|2,0,0]=4 1584 B10R1.10 CCOc1ccnc(c1)N TS06274 [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.10 CCOc1cncc(n1)C TS37188 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.10 CNCc1cccc(c1)N TS37043 [1,1,0,0,0,0|2,0,0]=4 1588 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|1,0,0]=3 1589 B10R1.10 Cc1cccc(c1)CC#N TS05673 [1,1,0,0,0,0|1,0,1]=4 1590 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,1,0,0,0,0|1,0,0]=3 1591 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,1,0,0,0,0|1,0,0]=3 1592 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,1,0,0,0,0|1,0,0]=3 1593 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,1,0,0,0,0|1,0,0]=3 1594 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,1,0,0,0,0|1,0,0]=3 1595 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [1,1,0,0,0,0|1,0,1]=4 1596 B10R1.10 Cc1cccc(c1)N=C=S TS07590 [1,1,0,0,0,0|1,0,1]=4 1597 B10R1.10 Cc1cccc(c1)NC=O TS36924 [1,1,0,0,0,0|1,0,1]=4 1598 B10R1.10 Cc1cccc(n1)CCO TS37109 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.10 Cc1cccc(n1)CNC TS65175 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.10 c1cc(cc(c1)F)CON TS93853 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,1,0,0,0,0|2,0,0]=4 1614 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,1,0,0,0,0|2,0,0]=4 1615 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,1,0,0,0,0|2,0,0]=4 1616 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [1,1,0,0,0,0|2,0,0]=4 1617 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|2,0,0]=4 1620 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|2,0,0]=4 1621 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|2,0,0]=4 1622 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [1,1,0,0,0,0|2,0,0]=4 1624 B10R1.113 CC(C)c1cccc(c1)N TS36962 [1,1,0,0,0,0|2,0,0]=4 1625 B10R1.113 CC(C)c1cccc(c1)O TS06076 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [1,1,0,0,0,0|2,0,0]=4 1627 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,1,0,0,0,0|2,0,0]=4 1628 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.113 CC(c1cccc(c1)F)N TS37298 [1,1,0,0,0,0|2,0,0]=4 1630 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.113 CC(c1cccc(c1)N)N TS37034 [1,1,0,0,0,0|2,0,0]=4 1632 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [1,1,0,0,0,0|2,0,0]=4 1634 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [1,1,0,0,0,0|2,0,0]=4 1635 B10R1.113 CN(C)c1cccc(c1)N TS20698 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.113 CN(C)c1cccc(c1)O TS06190 [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.113 CN(C)c1cccc(c1)S TS10347 [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [1,1,0,0,0,0|2,0,0]=4 1645 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [1,1,0,0,0,0|2,0,0]=4 1647 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [1,1,0,0,0,0|2,0,0]=4 1648 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [1,1,0,0,0,0|2,0,0]=4 1650 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,1,0,0,0,0|2,0,0]=4 1651 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [1,1,0,0,0,0|2,0,0]=4 1652 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [1,1,0,0,0,0|2,0,0]=4 1653 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,1,0,0,0,0|1,0,0]=3 1654 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [1,1,0,0,0,0|1,0,0]=3 1655 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [1,1,0,0,0,0|1,0,0]=3 1656 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [1,1,0,0,0,0|1,0,0]=3 1657 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [1,1,0,0,0,0|1,0,0]=3 1658 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [1,1,0,0,0,0|2,0,0]=4 1659 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [1,1,0,0,0,0|2,0,0]=4 1660 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [1,1,0,0,0,0|2,0,0]=4 1661 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.172 CCc1cc(cnc1)CC TS36963 [1,1,0,0,0,0|2,0,0]=4 1664 B10R1.172 CCc1cccc(c1)C#N TS00148 [1,1,0,0,0,0|1,0,1]=4 1665 B10R1.172 CCc1cccc(c1)C=O TS36830 [1,1,0,0,0,0|1,0,1]=4 1666 B10R1.172 CCc1cccc(c1)NN TS13273 [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.172 CCc1cccc(n1)CO TS46566 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.172 CNc1cccc(c1)OC TS37104 [1,1,0,0,0,0|0,0,0]=2 1669 B10R1.172 CNc1cccc(n1)OC TS37198 [1,1,0,0,0,0|1,0,0]=3 1670 B10R1.172 COC1=CCC=C(C1)OC TS06471 [1,1,0,0,0,0|0,0,2]=4 1671 B10R1.172 COc1cc(ccn1)C#N TS36820 [1,1,0,0,0,0|1,0,1]=4 1672 B10R1.172 COc1cc(ccn1)C=O TS55432 [1,1,0,0,0,0|1,0,1]=4 1673 B10R1.172 COc1cc(ccn1)CN TS86154 [1,1,0,0,0,0|1,0,0]=3 1674 B10R1.172 COc1cc(ccn1)CO TS86056 [1,1,0,0,0,0|1,0,0]=3 1675 B10R1.172 COc1cc(cnc1)C=O TS37089 [1,1,0,0,0,0|1,0,1]=4 1676 B10R1.172 COc1cc(cnc1)CN TS92215 [1,1,0,0,0,0|1,0,0]=3 1677 B10R1.172 COc1cc(cnc1)CO TS86006 [1,1,0,0,0,0|1,0,0]=3 1678 B10R1.172 COc1cc(cnc1)OC TS02599 [1,1,0,0,0,0|1,0,0]=3 1679 B10R1.172 COc1cc(ncn1)CN TS90796 [1,1,0,0,0,0|2,0,0]=4 1680 B10R1.172 COc1cc(ncn1)OC TS02932 [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.172 COc1cccc(c1)C#C TS36666 [1,1,0,0,0,0|0,0,1]=3 1682 B10R1.172 COc1cccc(c1)C#N TS39448 [1,1,0,0,0,0|0,0,1]=3 1683 B10R1.172 COc1cccc(c1)C=O TS02819 [1,1,0,0,0,0|0,0,1]=3 1684 B10R1.172 COc1cccc(c1)CBr TS38037 [1,1,0,0,0,0|0,0,0]=2 1685 B10R1.172 COc1cccc(c1)CCl TS39449 [1,1,0,0,0,0|0,0,0]=2 1686 B10R1.172 COc1cccc(c1)CN TS60017 [1,1,0,0,0,0|0,0,0]=2 1687 B10R1.172 COc1cccc(c1)CO TS39311 [1,1,0,0,0,0|0,0,0]=2 1688 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [1,1,0,0,0,0|0,0,0]=2 1689 B10R1.172 COc1cccc(c1)NN TS02825 [1,1,0,0,0,0|1,0,0]=3 1690 B10R1.172 COc1cccc(c1)OC TS46804 [1,1,0,0,0,0|0,0,0]=2 1691 B10R1.172 COc1cccc(c1)SC TS41406 [1,1,0,0,0,0|0,0,0]=2 1692 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [1,1,0,0,0,0|1,0,0]=3 1693 B10R1.172 COc1cccc(n1)C#N TS36815 [1,1,0,0,0,0|1,0,1]=4 1694 B10R1.172 COc1cccc(n1)C=O TS01259 [1,1,0,0,0,0|1,0,1]=4 1695 B10R1.172 COc1cccc(n1)CN TS46568 [1,1,0,0,0,0|1,0,0]=3 1696 B10R1.172 COc1cccc(n1)CO TS06371 [1,1,0,0,0,0|1,0,0]=3 1697 B10R1.172 COc1cccc(n1)OC TS65016 [1,1,0,0,0,0|1,0,0]=3 1698 B10R1.172 COc1ccnc(c1)CO TS46547 [1,1,0,0,0,0|1,0,0]=3 1699 B10R1.172 COc1ccnc(c1)OC TS06363 [1,1,0,0,0,0|1,0,0]=3 1700 B10R1.172 COc1ccnc(n1)OC TS47234 [1,1,0,0,0,0|2,0,0]=4 1701 B10R1.172 COc1cncc(n1)OC TS37359 [1,1,0,0,0,0|2,0,0]=4 1702 B10R1.172 COc1nccc(n1)CN TS87069 [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.172 COc1nccc(n1)CO TS89082 [1,1,0,0,0,0|2,0,0]=4 1704 B10R1.172 CSc1ccnc(c1)SC TS45357 [1,1,0,0,0,0|1,1,0]=4 1705 B10R1.172 c1cc(cc(c1)C#N)CBr TS02725 [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.172 c1cc(cc(c1)C#N)CCl TS00144 [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.172 c1cc(cc(c1)C#N)CN TS02724 [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.172 c1cc(cc(c1)C#N)CN TS12626 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.172 c1cc(cc(c1)C#N)C[Zn+] TS29700 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.172 c1cc(cc(c1)CBr)CBr TS29983 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.172 c1cc(cc(c1)CBr)CO TS38049 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.172 c1cc(cc(c1)CCl)CCl TS13623 [1,1,0,0,0,0|2,0,0]=4 1714 B10R1.172 c1cc(cc(c1)CN)CN TS39703 [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.172 c1cc(cc(c1)CO)CO TS06249 [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.172 c1cc(cc(c1)CS)CS TS12898 [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,1,0,0,0,0|1,0,0]=3 1718 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [1,1,0,0,0,0|2,0,0]=4 1719 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,1,0,0,0,0|2,0,0]=4 1720 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,1,0,0,0,0|2,0,0]=4 1721 B10R1.176 COc1cc(c(cn1)Br)N TS87112 [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.176 COc1cc(c(cn1)F)Br TS16770 [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.176 COc1cc(c(cn1)F)I TS65163 [1,1,0,0,0,0|2,0,0]=4 1724 B10R1.176 COc1cc(c(cn1)N)N TS01260 [1,1,0,0,0,0|2,0,0]=4 1725 B10R1.176 COc1cc(c(nc1)Cl)Cl TS46360 [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [1,1,0,0,0,0|1,0,0]=3 1727 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [1,1,0,0,0,0|1,0,0]=3 1728 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [1,1,0,0,0,0|1,0,0]=3 1729 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [1,1,0,0,0,0|1,0,0]=3 1730 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [1,1,0,0,0,0|1,0,0]=3 1731 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [1,1,0,0,0,0|1,0,0]=3 1732 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [1,1,0,0,0,0|1,0,0]=3 1733 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [1,1,0,0,0,0|1,0,0]=3 1734 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [1,1,0,0,0,0|1,0,0]=3 1735 B10R1.176 COc1ccc(c(c1)F)F TS60319 [1,1,0,0,0,0|1,0,0]=3 1736 B10R1.176 COc1ccc(c(c1)F)N TS55333 [1,1,0,0,0,0|1,0,0]=3 1737 B10R1.176 COc1ccc(c(c1)F)O TS55337 [1,1,0,0,0,0|1,0,0]=3 1738 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [1,1,0,0,0,0|1,0,0]=3 1739 B10R1.176 COc1ccc(c(c1)I)N TS60298 [1,1,0,0,0,0|1,0,0]=3 1740 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [1,1,0,0,0,0|1,0,0]=3 1741 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [1,1,0,0,0,0|1,0,0]=3 1742 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [1,1,0,0,0,0|1,0,0]=3 1743 B10R1.176 COc1ccc(c(c1)N)F TS09302 [1,1,0,0,0,0|1,0,0]=3 1744 B10R1.176 COc1ccc(c(c1)N)N TS94383 [1,1,0,0,0,0|1,0,0]=3 1745 B10R1.176 COc1ccc(c(c1)N)O TS08806 [1,1,0,0,0,0|1,0,0]=3 1746 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [1,1,0,0,0,0|1,0,0]=3 1747 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [1,1,0,0,0,0|1,0,0]=3 1748 B10R1.176 COc1ccc(c(c1)O)N TS13758 [1,1,0,0,0,0|1,0,0]=3 1749 B10R1.176 COc1ccc(c(n1)Br)N TS85165 [1,1,0,0,0,0|2,0,0]=4 1750 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [1,1,0,0,0,0|1,1,0]=4 1751 B10R1.176 Cc1c(ccc(n1)OC)Br TS85459 [1,1,0,0,0,0|1,0,0]=3 1752 B10R1.176 Cc1c(ccc(n1)OC)F TS71540 [1,1,0,0,0,0|1,0,0]=3 1753 B10R1.176 Cc1c(ccc(n1)OC)N TS45872 [1,1,0,0,0,0|1,0,0]=3 1754 B10R1.176 Cc1c(ccc(n1)OC)N TS71364 [1,1,0,0,0,0|1,0,0]=3 1755 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [1,1,0,0,0,0|0,0,0]=2 1758 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,1,0,0,0,0|2,0,0]=4 1760 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [1,1,0,0,0,0|2,0,0]=4 1761 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [1,1,0,0,0,0|0,0,0]=2 1762 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [1,1,0,0,0,0|1,0,1]=4 1763 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [1,1,0,0,0,0|2,0,0]=4 1764 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [1,1,0,0,0,0|2,0,0]=4 1766 B10R1.176 Cc1cc(ccc1F)CN TS39504 [1,1,0,0,0,0|2,0,0]=4 1767 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.176 Cc1cc(ccc1F)OC TS60402 [1,1,0,0,0,0|0,0,0]=2 1769 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [1,1,0,0,0,0|2,0,0]=4 1770 B10R1.176 Cc1cc(ccc1N)OC TS71202 [1,1,0,0,0,0|0,0,0]=2 1771 B10R1.176 Cc1cc(ccn1=O)OC TS37281 [1,1,0,0,0,0|1,0,0]=3 1772 B10R1.176 Cc1cc(ncc1Br)OC TS85442 [1,1,0,0,0,0|1,0,0]=3 1773 B10R1.176 Cc1cc(ncc1F)OC TS06580 [1,1,0,0,0,0|1,0,0]=3 1774 B10R1.176 Cc1cc(ncc1N)OC TS37189 [1,1,0,0,0,0|1,0,0]=3 1775 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [1,1,0,0,0,0|2,0,0]=4 1776 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,1,0,0,0,0|2,0,0]=4 1777 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,1,0,0,0,0|2,0,0]=4 1779 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,1,0,0,0,0|2,0,0]=4 1780 B10R1.176 Cc1ccc(cc1C)NN TS13274 [1,1,0,0,0,0|2,0,0]=4 1781 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,1,0,0,0,0|0,0,0]=2 1782 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [1,1,0,0,0,0|1,0,0]=3 1783 B10R1.176 Cc1ccc(cc1F)OC TS65516 [1,1,0,0,0,0|1,0,0]=3 1784 B10R1.176 Cc1ccc(cc1N)OC TS39535 [1,1,0,0,0,0|1,0,0]=3 1785 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|1,0,1]=4 1786 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|1,0,0]=3 1787 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|1,0,0]=3 1790 B10R1.4 CCNc1ccccc1C TS06011 [1,1,0,0,0,0|2,0,0]=4 1791 B10R1.4 CCNc1ccccc1F TS37294 [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.4 CCOc1c(cccn1)Br TS19321 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.4 CCOc1c(cccn1)I TS27857 [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.4 CCOc1ccccc1Br TS39657 [1,1,0,0,0,0|1,0,0]=3 1795 B10R1.4 CCOc1ccccc1Cl TS41727 [1,1,0,0,0,0|1,0,0]=3 1796 B10R1.4 CCOc1ccccc1F TS37374 [1,1,0,0,0,0|1,0,0]=3 1797 B10R1.4 CCOc1ccccc1N TS37118 [1,1,0,0,0,0|1,0,0]=3 1798 B10R1.4 CCOc1ccccc1N TS45700 [1,1,0,0,0,0|1,0,0]=3 1799 B10R1.4 CCOc1ccccc1O TS06253 [1,1,0,0,0,0|0,0,0]=2 1800 B10R1.4 CCOc1ccccc1S TS41408 [1,1,0,0,0,0|0,1,0]=3 1801 B10R1.4 CCOc1cccnc1Br TS19312 [1,1,0,0,0,0|2,0,0]=4 1802 B10R1.4 CCOc1cccnc1N TS37190 [1,1,0,0,0,0|2,0,0]=4 1803 B10R1.4 CCOc1ccncc1Br TS19320 [1,1,0,0,0,0|2,0,0]=4 1804 B10R1.4 CCOc1ccncc1N TS37196 [1,1,0,0,0,0|2,0,0]=4 1805 B10R1.4 CCOc1cnccc1Br TS38195 [1,1,0,0,0,0|2,0,0]=4 1806 B10R1.4 CCSc1ccccc1Br TS49221 [1,1,0,0,0,0|1,1,0]=4 1807 B10R1.4 CCSc1ccccc1O TS41412 [1,1,0,0,0,0|0,1,0]=3 1808 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|2,0,0]=4 1809 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|1,0,0]=3 1810 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|1,0,0]=3 1811 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|2,0,0]=4 1812 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|2,0,0]=4 1813 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|2,0,0]=4 1814 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [1,1,0,0,0,0|2,0,0]=4 1815 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [1,1,0,0,0,0|2,0,0]=4 1816 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|2,0,0]=4 1819 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|2,0,0]=4 1822 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|2,0,0]=4 1823 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|1,0,0]=3 1824 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|2,0,0]=4 1825 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|2,0,0]=4 1826 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|2,0,0]=4 1827 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|2,0,0]=4 1828 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|1,0,0]=3 1829 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,1,0,0,0,0|2,0,0]=4 1830 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,1,0,0,0,0|2,0,0]=4 1831 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,1,0,0,0,0|2,0,0]=4 1832 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,1,0,0,0,0|2,0,0]=4 1833 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [1,1,0,0,0,0|1,0,1]=4 1834 B10R1.20 CCc1ccccc1C#N TS59966 [1,1,0,0,0,0|2,0,0]=4 1835 B10R1.20 CCc1ccccc1C=O TS36837 [1,1,0,0,0,0|1,0,1]=4 1836 B10R1.20 CCc1ccccc1CC TS36854 [1,1,0,0,0,0|2,0,0]=4 1837 B10R1.20 CCc1ccccc1NN TS59967 [1,1,0,0,0,0|2,0,0]=4 1838 B10R1.20 CCc1ccccc1OC TS06091 [1,1,0,0,0,0|1,0,0]=3 1839 B10R1.20 CNc1c(cccn1)CO TS00522 [1,1,0,0,0,0|2,0,0]=4 1840 B10R1.20 CNc1ccccc1OC TS06193 [1,1,0,0,0,0|1,0,0]=3 1841 B10R1.20 COc1c(cccn1)C#N TS36816 [1,1,0,0,0,0|2,0,0]=4 1842 B10R1.20 COc1c(cccn1)C=O TS55430 [1,1,0,0,0,0|1,0,1]=4 1843 B10R1.20 COc1c(cccn1)CN TS85674 [1,1,0,0,0,0|2,0,0]=4 1844 B10R1.20 COc1c(cccn1)CN TS86802 [1,1,0,0,0,0|2,0,0]=4 1845 B10R1.20 COc1c(cccn1)CO TS88118 [1,1,0,0,0,0|1,0,0]=3 1846 B10R1.20 COc1ccccc1C#C TS55428 [1,1,0,0,0,0|1,0,0]=3 1847 B10R1.20 COc1ccccc1C#N TS02018 [1,1,0,0,0,0|1,0,0]=3 1848 B10R1.20 COc1ccccc1C=C TS36839 [1,1,0,0,0,0|1,0,0]=3 1849 B10R1.20 COc1ccccc1C=O TS00088 [1,1,0,0,0,0|0,0,1]=3 1850 B10R1.20 COc1ccccc1CBr TS46746 [1,1,0,0,0,0|1,0,0]=3 1851 B10R1.20 COc1ccccc1CCl TS01104 [1,1,0,0,0,0|1,0,0]=3 1852 B10R1.20 COc1ccccc1CN TS01103 [1,1,0,0,0,0|1,0,0]=3 1853 B10R1.20 COc1ccccc1CO TS06248 [1,1,0,0,0,0|0,0,0]=2 1854 B10R1.20 COc1ccccc1NN TS46513 [1,1,0,0,0,0|1,0,0]=3 1855 B10R1.20 COc1ccccc1OC TS07876 [1,1,0,0,0,0|0,0,0]=2 1856 B10R1.20 COc1ccccc1SC TS55437 [1,1,0,0,0,0|0,1,0]=3 1857 B10R1.20 COc1ccccc1[Mg]Br TS44048 [1,1,0,0,0,0|1,0,0]=3 1858 B10R1.20 COc1cccnc1C#N TS05878 [1,1,0,0,0,0|2,0,0]=4 1859 B10R1.20 COc1cccnc1C=O TS06166 [1,1,0,0,0,0|1,0,1]=4 1860 B10R1.20 COc1cccnc1CN TS06271 [1,1,0,0,0,0|2,0,0]=4 1861 B10R1.20 COc1cccnc1CO TS08026 [1,1,0,0,0,0|1,0,0]=3 1862 B10R1.20 COc1cccnc1OC TS16354 [1,1,0,0,0,0|1,0,0]=3 1863 B10R1.20 COc1ccncc1C#N TS05877 [1,1,0,0,0,0|2,0,0]=4 1864 B10R1.20 COc1ccncc1C=O TS09135 [1,1,0,0,0,0|1,0,1]=4 1865 B10R1.20 COc1cnccc1C=O TS06158 [1,1,0,0,0,0|1,0,1]=4 1866 B10R1.20 CSc1ccccc1C#N TS40767 [1,1,0,0,0,0|1,1,0]=4 1867 B10R1.20 CSc1ccccc1CN TS10344 [1,1,0,0,0,0|1,1,0]=4 1868 B10R1.20 CSc1ccccc1CO TS41405 [1,1,0,0,0,0|0,1,0]=3 1869 B10R1.20 c1ccc(c(c1)CO)CO TS59881 [1,1,0,0,0,0|2,0,0]=4 1870 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,1,0,0,0,0|2,0,0]=4 1871 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,1,0,0,0,0|1,0,0]=3 1872 B10R1.25 CNc1ccc(cc1F)F TS40063 [1,1,0,0,0,0|2,0,0]=4 1873 B10R1.25 COc1c(cc(cn1)Br)Br TS85440 [1,1,0,0,0,0|2,0,0]=4 1874 B10R1.25 COc1c(cc(cn1)Br)Cl TS23559 [1,1,0,0,0,0|2,0,0]=4 1875 B10R1.25 COc1c(cc(cn1)Br)F TS60302 [1,1,0,0,0,0|2,0,0]=4 1876 B10R1.25 COc1c(cc(cn1)Br)I TS61113 [1,1,0,0,0,0|2,0,0]=4 1877 B10R1.25 COc1c(cc(cn1)Br)N TS86976 [1,1,0,0,0,0|2,0,0]=4 1878 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [1,1,0,0,0,0|1,0,0]=3 1879 B10R1.25 COc1c(cc(cn1)Cl)Br TS55426 [1,1,0,0,0,0|2,0,0]=4 1880 B10R1.25 COc1c(cc(cn1)Cl)F TS11466 [1,1,0,0,0,0|2,0,0]=4 1881 B10R1.25 COc1c(cc(cn1)F)Br TS65083 [1,1,0,0,0,0|2,0,0]=4 1882 B10R1.25 COc1c(cc(cn1)N)Br TS16776 [1,1,0,0,0,0|2,0,0]=4 1883 B10R1.25 COc1c(cc(cn1)N)F TS02650 [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.25 COc1ccc(cc1Br)Br TS73450 [1,1,0,0,0,0|1,0,0]=3 1885 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [1,1,0,0,0,0|1,0,0]=3 1886 B10R1.25 COc1ccc(cc1Br)F TS55106 [1,1,0,0,0,0|1,0,0]=3 1887 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [1,1,0,0,0,0|1,0,0]=3 1888 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [1,1,0,0,0,0|1,0,0]=3 1889 B10R1.25 COc1ccc(cc1Cl)F TS09271 [1,1,0,0,0,0|1,0,0]=3 1890 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,1,0,0,0,0|1,0,0]=3 1891 B10R1.25 COc1ccc(cc1F)Br TS60384 [1,1,0,0,0,0|1,0,0]=3 1892 B10R1.25 COc1ccc(cc1F)Cl TS39482 [1,1,0,0,0,0|1,0,0]=3 1893 B10R1.25 COc1ccc(cc1F)F TS09234 [1,1,0,0,0,0|1,0,0]=3 1894 B10R1.25 COc1ccc(cc1F)N TS02745 [1,1,0,0,0,0|1,0,0]=3 1895 B10R1.25 COc1ccc(cc1F)O TS02753 [1,1,0,0,0,0|1,0,0]=3 1896 B10R1.25 COc1ccc(cc1F)S TS10975 [1,1,0,0,0,0|1,0,0]=3 1897 B10R1.25 COc1ccc(cc1I)Cl TS39489 [1,1,0,0,0,0|1,0,0]=3 1898 B10R1.25 COc1ccc(cc1I)N TS39440 [1,1,0,0,0,0|1,0,0]=3 1899 B10R1.25 COc1ccc(cc1I)N TS54863 [1,1,0,0,0,0|1,0,0]=3 1900 B10R1.25 COc1ccc(cc1N)Br TS38194 [1,1,0,0,0,0|1,0,0]=3 1901 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,1,0,0,0,0|1,0,0]=3 1903 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,1,0,0,0,0|1,0,0]=3 1904 B10R1.25 COc1ccc(cc1N)F TS07833 [1,1,0,0,0,0|1,0,0]=3 1905 B10R1.25 COc1ccc(cc1N)I TS65363 [1,1,0,0,0,0|1,0,0]=3 1906 B10R1.25 COc1ccc(cc1N)N TS37199 [1,1,0,0,0,0|1,0,0]=3 1907 B10R1.25 COc1ccc(cc1N)N TS43949 [1,1,0,0,0,0|1,0,0]=3 1908 B10R1.25 COc1ccc(cc1N)N TS56780 [1,1,0,0,0,0|1,0,0]=3 1909 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,1,0,0,0,0|0,0,0]=2 1910 B10R1.25 COc1ccc(cc1O)F TS07835 [1,1,0,0,0,0|0,0,0]=2 1911 B10R1.25 COc1ccc(cc1O)N TS37282 [1,1,0,0,0,0|0,0,0]=2 1912 B10R1.25 COc1ccc(cc1O)O TS06433 [1,1,0,0,0,0|0,0,0]=2 1913 B10R1.25 COc1ccc(cc1S)F TS10974 [1,1,0,0,0,0|0,1,0]=3 1914 B10R1.25 COc1ccc(cn1=O)F TS40058 [1,1,0,0,0,0|1,0,1]=4 1915 B10R1.25 COc1ccc(nc1Br)N TS60092 [1,1,0,0,0,0|2,0,0]=4 1916 B10R1.25 COc1ccc(nc1Cl)N TS85122 [1,1,0,0,0,0|2,0,0]=4 1917 B10R1.25 COc1ccc(nc1F)Br TS32806 [1,1,0,0,0,0|2,0,0]=4 1918 B10R1.25 COc1cnc(cc1Cl)N TS86843 [1,1,0,0,0,0|2,0,0]=4 1919 B10R1.25 COc1cnc(nc1O)S TS10964 [1,1,0,0,0,0|2,0,0]=4 1920 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [1,1,0,0,0,0|1,1,0]=4 1921 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [1,1,0,0,0,0|2,0,0]=4 1922 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [1,1,0,0,0,0|1,0,0]=3 1923 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [1,1,0,0,0,0|1,0,0]=3 1924 B10R1.25 Cc1cc(ccc1OC)F TS06457 [1,1,0,0,0,0|1,0,0]=3 1925 B10R1.25 Cc1cc(ccc1OC)I TS62512 [1,1,0,0,0,0|1,0,0]=3 1926 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,1,0,0,0,0|1,0,0]=3 1927 B10R1.25 Cc1cc(ccc1SC)O TS41411 [1,1,0,0,0,0|1,1,0]=4 1928 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [1,1,0,0,0,0|2,0,0]=4 1929 B10R1.25 Cc1cc(cnc1OC)F TS39347 [1,1,0,0,0,0|2,0,0]=4 1930 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,1,0,0,0,0|1,0,0]=3 1931 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,1,0,0,0,0|1,0,0]=3 1932 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,1,0,0,0,0|1,0,0]=3 1933 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,1,0,0,0,0|1,0,0]=3 1934 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,1,0,0,0,0|1,0,0]=3 1935 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,1,0,0,0,0|1,0,0]=3 1936 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,1,0,0,0,0|2,0,0]=4 1937 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,1,0,0,0,0|2,0,0]=4 1938 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,1,0,0,0,0|0,0,0]=2 1939 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [1,1,0,0,0,0|2,0,0]=4 1940 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [1,1,0,0,0,0|2,0,0]=4 1941 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,1,0,0,0,0|2,0,0]=4 1942 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,1,0,0,0,0|2,0,0]=4 1943 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,1,0,0,0,0|2,0,0]=4 1944 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,1,0,0,0,0|2,0,0]=4 1945 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [1,1,0,0,0,0|2,0,0]=4 1946 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,1,0,0,0,0|2,0,0]=4 1947 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,1,0,0,0,0|2,0,0]=4 1948 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,1,0,0,0,0|2,0,0]=4 1949 B10R1.61 B(c1ccccc1O)(O)O TS55396 [1,1,0,0,0,0|2,0,0]=4 1950 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,1,0,0,0,0|2,0,0]=4 1951 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,1,0,0,0,0|2,0,0]=4 1952 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|2,0,0]=4 1953 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|2,0,0]=4 1954 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|2,0,0]=4 1955 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|2,0,0]=4 1956 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|1,0,0]=3 1957 B10R1.61 CC(C)c1ccccc1Br TS46918 [1,1,0,0,0,0|2,0,0]=4 1958 B10R1.61 CC(C)c1ccccc1F TS06286 [1,1,0,0,0,0|2,0,0]=4 1959 B10R1.61 CC(C)c1ccccc1I TS27403 [1,1,0,0,0,0|2,0,0]=4 1960 B10R1.61 CC(C)c1ccccc1N TS06016 [1,1,0,0,0,0|2,0,0]=4 1961 B10R1.61 CC(C)c1ccccc1O TS06094 [1,1,0,0,0,0|1,0,0]=3 1962 B10R1.61 CC(C)c1ccccc1S TS41199 [1,1,0,0,0,0|1,1,0]=4 1963 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [1,1,0,0,0,0|2,0,0]=4 1964 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,1,0,0,0,0|2,0,0]=4 1965 B10R1.61 CC(c1ccccc1Cl)N TS10635 [1,1,0,0,0,0|2,0,0]=4 1966 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,1,0,0,0,0|2,0,0]=4 1967 B10R1.61 CC(c1ccccc1F)N TS37297 [1,1,0,0,0,0|2,0,0]=4 1968 B10R1.61 CC(c1ccccc1F)O TS08150 [1,1,0,0,0,0|2,0,0]=4 1969 B10R1.61 CN(C)c1ccccc1Br TS37850 [1,1,0,0,0,0|2,0,0]=4 1970 B10R1.61 CN(C)c1ccccc1Cl TS10629 [1,1,0,0,0,0|2,0,0]=4 1971 B10R1.61 CN(C)c1ccccc1F TS37299 [1,1,0,0,0,0|2,0,0]=4 1972 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,1,0,0,0,0|0,1,0]=3 1973 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,1,0,0,0,0|2,0,0]=4 1974 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,1,0,0,0,0|2,0,0]=4 1975 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [1,1,0,0,0,0|2,0,0]=4 1976 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,1,0,0,0,0|2,0,0]=4 1977 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [1,1,0,0,0,0|2,0,0]=4 1978 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,1,0,0,0,0|2,0,0]=4 1979 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [1,1,0,0,0,0|2,0,0]=4 1980 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,1,0,0,0,0|2,0,0]=4 1981 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,1,0,0,0,0|2,0,0]=4 1982 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|2,0,0]=4 1983 B10R1.61 Cc1ccccc1C(C)N TS36951 [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,1,0,0,0,0|2,0,0]=4 1985 B10R1.61 Cc1ccccc1N(C)C TS06004 [1,1,0,0,0,0|2,0,0]=4 1986 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [1,1,0,0,0,0|2,0,0]=4 1988 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,1,0,0,0,0|2,0,0]=4 1989 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,1,0,0,0,0|2,0,0]=4 1990 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,1,0,0,0,0|2,0,0]=4 1991 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,1,0,0,0,0|2,0,0]=4 1992 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [1,1,0,0,0,0|2,0,0]=4 1993 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [1,1,0,0,0,0|2,0,0]=4 1994 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [1,1,0,0,0,0|2,0,0]=4 1995 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [1,1,0,0,0,0|2,0,0]=4 1996 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [1,1,0,0,0,0|2,0,0]=4 1997 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [1,1,0,0,0,0|2,0,0]=4 1998 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [1,1,0,0,0,0|2,0,0]=4 1999 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [1,1,0,0,0,0|2,0,0]=4 2000 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [1,1,0,0,0,0|2,0,0]=4 2001 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [1,1,0,0,0,0|2,0,0]=4 2002 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,1,0,0,0,0|2,0,0]=4 2003 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [1,1,0,0,0,0|2,0,0]=4 2004 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [1,1,0,0,0,0|2,0,0]=4 2005 B10R1.245 CCc1c(cccc1C)C TS36867 [1,1,0,0,0,0|2,0,0]=4 2006 B10R1.245 CNc1c(cccc1F)F TS93898 [1,1,0,0,0,0|2,0,0]=4 2007 B10R1.245 COc1c(cccc1Br)Br TS65354 [1,1,0,0,0,0|1,0,0]=3 2008 B10R1.245 COc1c(cccc1Br)F TS65034 [1,1,0,0,0,0|1,0,0]=3 2009 B10R1.245 COc1c(cccc1Cl)Cl TS13957 [1,1,0,0,0,0|1,0,0]=3 2010 B10R1.245 COc1c(cccc1Cl)F TS42231 [1,1,0,0,0,0|1,0,0]=3 2011 B10R1.245 COc1c(cccc1F)F TS09248 [1,1,0,0,0,0|1,0,0]=3 2012 B10R1.245 COc1c(cccc1F)N TS70568 [1,1,0,0,0,0|1,0,0]=3 2013 B10R1.245 COc1c(cccc1I)F TS65422 [1,1,0,0,0,0|1,0,0]=3 2014 B10R1.245 COc1c(cccc1O)O TS37340 [1,1,0,0,0,0|0,0,0]=2 2015 B10R1.245 COc1c(cncc1I)I TS22761 [1,1,0,0,0,0|2,0,0]=4 2016 B10R1.245 COc1c(ncnc1O)O TS02926 [1,1,0,0,0,0|2,0,0]=4 2017 B10R1.245 Cc1c(c(=O)cc[nH]1)OC TS06357 [1,1,0,0,0,0|1,0,1]=4 2018 B10R1.245 Cc1c(c(ccn1)Cl)OC TS87868 [1,1,0,0,0,0|2,0,0]=4 2019 B10R1.245 Cc1cccc(c1C#N)O TS16697 [1,1,0,0,0,0|2,0,0]=4 2020 B10R1.245 Cc1cccc(c1OC)C TS09255 [1,1,0,0,0,0|1,0,0]=3 2021 B10R1.245 Cc1cccc(c1SC)C TS41197 [1,1,0,0,0,0|1,1,0]=4 2022 B10R1.245 c1cc(c(c(c1)Br)C=O)O TS08363 [1,1,0,0,0,0|2,0,0]=4 2023 B10R1.245 c1cc(c(c(c1)Cl)C#N)O TS87990 [1,1,0,0,0,0|2,0,0]=4 2024 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [1,1,0,0,0,0|2,0,0]=4 2025 B10R1.245 c1cc(c(c(c1)F)C#N)O TS55363 [1,1,0,0,0,0|2,0,0]=4 2026 B10R1.245 c1cc(c(c(c1)F)C=O)O TS55361 [1,1,0,0,0,0|2,0,0]=4 2027 B10R1.245 c1cc(c(c(c1)O)C#N)O TS05970 [1,1,0,0,0,0|2,0,0]=4 2028 B10R1.245 c1cc(c(c(c1)O)C=O)O TS06226 [1,1,0,0,0,0|2,0,0]=4 2029 B10R1.22 CC1=CC(=O)C=C(C1=O)C TS00701 [1,1,0,0,0,0|1,0,1]=4 2030 B10R1.22 Cc1c(cc(cc1O)O)O TS37338 [1,1,0,0,0,0|2,0,0]=4 2031 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS24301 [1,1,0,0,0,0|2,0,0]=4 2032 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS58008 [1,1,0,0,0,0|2,0,0]=4 2033 B10R1.22 Cc1cc(c(c(c1)Br)F)C TS19505 [1,1,0,0,0,0|1,0,0]=3 2034 B10R1.22 Cc1cc(c(c(c1)Br)I)Br TS67028 [1,1,0,0,0,0|2,0,0]=4 2035 B10R1.22 Cc1cc(c(c(c1)Br)N)Br TS00691 [1,1,0,0,0,0|2,0,0]=4 2036 B10R1.22 Cc1cc(c(c(c1)Br)N)C TS55093 [1,1,0,0,0,0|1,0,0]=3 2037 B10R1.22 Cc1cc(c(c(c1)Br)O)Br TS73451 [1,1,0,0,0,0|1,0,0]=3 2038 B10R1.22 Cc1cc(c(c(c1)Br)O)C TS38048 [1,1,0,0,0,0|0,0,0]=2 2039 B10R1.22 Cc1cc(c(c(c1)C)Br)C TS39648 [1,1,0,0,0,0|1,0,0]=3 2040 B10R1.22 Cc1cc(c(c(c1)C)C)C TS36856 [1,1,0,0,0,0|1,0,0]=3 2041 B10R1.22 Cc1cc(c(c(c1)C)Cl)C TS41468 [1,1,0,0,0,0|1,0,0]=3 2042 B10R1.22 Cc1cc(c(c(c1)C)F)C TS06285 [1,1,0,0,0,0|1,0,0]=3 2043 B10R1.22 Cc1cc(c(c(c1)C)I)C TS27404 [1,1,0,0,0,0|1,0,0]=3 2044 B10R1.22 Cc1cc(c(c(c1)C)N)C TS36959 [1,1,0,0,0,0|1,0,0]=3 2045 B10R1.22 Cc1cc(c(c(c1)C)S)C TS41193 [1,1,0,0,0,0|0,1,0]=3 2046 B10R1.22 Cc1cc(c(c(c1)Cl)N)C TS41560 [1,1,0,0,0,0|1,0,0]=3 2047 B10R1.22 Cc1cc(c(c(c1)Cl)O)Cl TS13960 [1,1,0,0,0,0|1,0,0]=3 2048 B10R1.22 Cc1cc(c(c(c1)F)F)F TS65443 [1,1,0,0,0,0|2,0,0]=4 2049 B10R1.22 Cc1cc(c(c(c1)I)I)C TS66275 [1,1,0,0,0,0|1,0,0]=3 2050 B10R1.22 Cc1cc(c(c(c1)I)N)C TS27557 [1,1,0,0,0,0|1,0,0]=3 2051 B10R1.22 Cc1cc(c(c(c1)I)O)C TS62515 [1,1,0,0,0,0|0,0,0]=2 2052 B10R1.22 Cc1cc(c(c(c1)N)N)C TS37045 [1,1,0,0,0,0|1,0,0]=3 2053 B10R1.22 Cc1cc(c(c(c1)N)O)C TS37122 [1,1,0,0,0,0|0,0,0]=2 2054 B10R1.22 Cc1cc(c(c(c1)O)C)C TS06087 [1,1,0,0,0,0|1,0,0]=3 2055 B10R1.22 Cc1cc(c(c(c1)O)C)O TS06263 [1,1,0,0,0,0|1,0,0]=3 2056 B10R1.22 Cc1cc(c(c(c1)O)Cl)C TS41728 [1,1,0,0,0,0|1,0,0]=3 2057 B10R1.22 Cc1cc(c(c(c1)O)O)O TS06435 [1,1,0,0,0,0|0,0,0]=2 2058 B10R1.22 Cc1cc(c(c(n1)Br)O)Br TS30359 [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.22 Cc1cc(c(c(n1)C)Br)Br TS68906 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.22 Cc1cc(cc(c1Br)C)O TS16766 [1,1,0,0,0,0|2,0,0]=4 2061 B10R1.22 Cc1cc(cc(c1C)C)N TS36941 [1,1,0,0,0,0|2,0,0]=4 2062 B10R1.22 Cc1cc(cc(c1C)C)O TS06086 [1,1,0,0,0,0|2,0,0]=4 2063 B10R1.22 Cc1cc(cc(c1C)O)O TS06246 [1,1,0,0,0,0|2,0,0]=4 2064 B10R1.22 Cc1cc(cc(c1Cl)C)Br TS49665 [1,1,0,0,0,0|2,0,0]=4 2065 B10R1.22 Cc1cc(cc(c1Cl)C)F TS09280 [1,1,0,0,0,0|2,0,0]=4 2066 B10R1.22 Cc1cc(cc(c1Cl)C)O TS71031 [1,1,0,0,0,0|2,0,0]=4 2067 B10R1.22 Cc1cc(cc(c1F)C)Br TS71422 [1,1,0,0,0,0|2,0,0]=4 2068 B10R1.22 Cc1cc(cc(c1F)C)N TS37291 [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.22 Cc1cc(cc(c1F)F)F TS65310 [1,1,0,0,0,0|2,0,0]=4 2070 B10R1.22 Cc1cc(cc(c1I)C)Br TS09785 [1,1,0,0,0,0|2,0,0]=4 2071 B10R1.22 Cc1cc(cc(c1I)C)I TS66271 [1,1,0,0,0,0|2,0,0]=4 2072 B10R1.22 Cc1cc(cc(c1I)C)N TS71190 [1,1,0,0,0,0|2,0,0]=4 2073 B10R1.22 Cc1cc(cc(c1I)C)O TS16727 [1,1,0,0,0,0|2,0,0]=4 2074 B10R1.22 Cc1cc(cc(c1I)Cl)Cl TS35012 [1,1,0,0,0,0|2,0,0]=4 2075 B10R1.22 Cc1cc(cc(c1I)O)Cl TS73798 [1,1,0,0,0,0|2,0,0]=4 2076 B10R1.22 Cc1cc(cc(c1N)Br)Br TS09264 [1,1,0,0,0,0|2,0,0]=4 2077 B10R1.22 Cc1cc(cc(c1N)Br)F TS55103 [1,1,0,0,0,0|2,0,0]=4 2078 B10R1.22 Cc1cc(cc(c1N)C)Br TS37845 [1,1,0,0,0,0|2,0,0]=4 2079 B10R1.22 Cc1cc(cc(c1N)C)Cl TS51404 [1,1,0,0,0,0|2,0,0]=4 2080 B10R1.22 Cc1cc(cc(c1N)C)Cl TS60056 [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.22 Cc1cc(cc(c1N)C)F TS37289 [1,1,0,0,0,0|2,0,0]=4 2082 B10R1.22 Cc1cc(cc(c1N)C)I TS27561 [1,1,0,0,0,0|2,0,0]=4 2083 B10R1.22 Cc1cc(cc(c1N)C)O TS06189 [1,1,0,0,0,0|2,0,0]=4 2084 B10R1.22 Cc1cc(cc(c1N)Cl)Cl TS46042 [1,1,0,0,0,0|2,0,0]=4 2085 B10R1.22 Cc1cc(cc(c1N)N)Br TS08702 [1,1,0,0,0,0|2,0,0]=4 2086 B10R1.22 Cc1cc(cc(c1O)Br)Br TS73452 [1,1,0,0,0,0|1,0,0]=3 2087 B10R1.22 Cc1cc(cc(c1O)C)Br TS38039 [1,1,0,0,0,0|1,0,0]=3 2088 B10R1.22 Cc1cc(cc(c1O)C)Cl TS41719 [1,1,0,0,0,0|1,0,0]=3 2089 B10R1.22 Cc1cc(cc(c1O)C)F TS37368 [1,1,0,0,0,0|1,0,0]=3 2090 B10R1.22 Cc1cc(cc(c1O)C)I TS62511 [1,1,0,0,0,0|1,0,0]=3 2091 B10R1.22 Cc1cc(cc(c1O)C)O TS32897 [1,1,0,0,0,0|1,0,0]=3 2092 B10R1.22 Cc1cc(cc(c1O)Cl)Br TS50007 [1,1,0,0,0,0|1,0,0]=3 2093 B10R1.22 Cc1cc(cc(c1O)Cl)Cl TS13954 [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.22 Cc1cc(nc(c1N)Br)C TS08967 [1,1,0,0,0,0|2,0,0]=4 2095 B10R1.22 c1c(cc(c(c1Br)O)Br)Br TS77913 [1,1,0,0,0,0|2,0,0]=4 2096 B10R1.22 c1c(cc(c(c1Br)O)Br)F TS65353 [1,1,0,0,0,0|2,0,0]=4 2097 B10R1.22 c1c(cc(c(c1Br)O)Br)N TS30356 [1,1,0,0,0,0|2,0,0]=4 2098 B10R1.22 c1c(cc(c(c1Br)O)Br)N TS83137 [1,1,0,0,0,0|2,0,0]=4 2099 B10R1.22 c1c(cc(c(c1Br)O)Br)O TS73692 [1,1,0,0,0,0|2,0,0]=4 2100 B10R1.22 c1c(cc(c(c1Cl)O)Br)Cl TS57628 [1,1,0,0,0,0|2,0,0]=4 2101 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Br TS01805 [1,1,0,0,0,0|2,0,0]=4 2102 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl TS18506 [1,1,0,0,0,0|2,0,0]=4 2103 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl TS49659 [1,1,0,0,0,0|2,0,0]=4 2104 B10R1.22 c1c(cc(c(c1Cl)O)Cl)F TS14715 [1,1,0,0,0,0|2,0,0]=4 2105 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N TS69386 [1,1,0,0,0,0|2,0,0]=4 2106 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N TS70867 [1,1,0,0,0,0|2,0,0]=4 2107 B10R1.22 c1c(cc(c(c1Cl)O)Cl)O TS14334 [1,1,0,0,0,0|2,0,0]=4 2108 B10R1.22 c1c(cc(c(c1F)O)Br)Br TS73942 [1,1,0,0,0,0|2,0,0]=4 2109 B10R1.22 c1c(cc(c(c1F)O)Br)F TS43579 [1,1,0,0,0,0|2,0,0]=4 2110 B10R1.22 c1c(cc(c(c1F)O)Cl)Br TS16929 [1,1,0,0,0,0|2,0,0]=4 2111 B10R1.22 c1c(cc(c(c1F)O)F)Br TS34643 [1,1,0,0,0,0|2,0,0]=4 2112 B10R1.22 c1c(cc(c(c1F)O)F)F TS65333 [1,1,0,0,0,0|2,0,0]=4 2113 B10R1.22 c1c(cc(c(c1F)O)F)N TS70870 [1,1,0,0,0,0|2,0,0]=4 2114 B10R1.22 c1c(cc(c(c1I)O)I)I TS72266 [1,1,0,0,0,0|2,0,0]=4 2115 B10R1.22 c1c(cc(c(c1I)O)I)O TS66458 [1,1,0,0,0,0|2,0,0]=4 2116 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl TS22988 [1,1,0,0,0,0|2,0,0]=4 2117 B10R1.22 c1c(cc(c(c1N)O)F)Br TS38917 [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.22 c1c(cc(c(c1N)O)F)F TS07070 [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.22 c1c(cc(c(c1O)Br)F)F TS43578 [1,1,0,0,0,0|2,0,0]=4 2120 B10R1.22 c1c(cc(c(c1O)Cl)Cl)Cl TS85184 [1,1,0,0,0,0|2,0,0]=4 2121 B10R1.22 c1c(cc(c(c1O)F)F)Br TS39524 [1,1,0,0,0,0|2,0,0]=4 2122 B10R1.22 c1c(cc(c(c1O)F)F)F TS85185 [1,1,0,0,0,0|2,0,0]=4 2123 B10R1.22 c1c(cc(c(c1O)I)Cl)Cl TS57983 [1,1,0,0,0,0|2,0,0]=4 2124 B10R1.118 CC1=CC(=O)C(=CC1=O)Br TS19139 [1,1,0,0,0,0|1,0,1]=4 2125 B10R1.118 CC1=CC(=O)C(=CC1=O)C TS36987 [1,1,0,0,0,0|1,0,1]=4 2126 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl TS10786 [1,1,0,0,0,0|1,0,1]=4 2127 B10R1.118 Cc1c(cc(c(n1)C)Br)Br TS47318 [1,1,0,0,0,0|2,0,0]=4 2128 B10R1.118 Cc1c(cc(c(n1)O)Br)Br TS30358 [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.118 Cc1cc(c(cc1Br)Br)Br TS63566 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.118 Cc1cc(c(cc1Br)C)Br TS29981 [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.118 Cc1cc(c(cc1Br)C)Cl TS49664 [1,1,0,0,0,0|2,0,0]=4 2132 B10R1.118 Cc1cc(c(cc1Br)C)N TS37846 [1,1,0,0,0,0|2,0,0]=4 2133 B10R1.118 Cc1cc(c(cc1Br)C)O TS38038 [1,1,0,0,0,0|1,0,0]=3 2134 B10R1.118 Cc1cc(c(cc1Br)F)Br TS30469 [1,1,0,0,0,0|2,0,0]=4 2135 B10R1.118 Cc1cc(c(cc1Br)F)F TS65109 [1,1,0,0,0,0|2,0,0]=4 2136 B10R1.118 Cc1cc(c(cc1Br)F)N TS60047 [1,1,0,0,0,0|2,0,0]=4 2137 B10R1.118 Cc1cc(c(cc1C)Br)Br TS02895 [1,1,0,0,0,0|2,0,0]=4 2138 B10R1.118 Cc1cc(c(cc1C)C)C TS36865 [1,1,0,0,0,0|1,0,0]=3 2139 B10R1.118 Cc1cc(c(cc1C)Cl)O TS41714 [1,1,0,0,0,0|1,0,0]=3 2140 B10R1.118 Cc1cc(c(cc1C)I)I TS66272 [1,1,0,0,0,0|2,0,0]=4 2141 B10R1.118 Cc1cc(c(cc1C)I)N TS27560 [1,1,0,0,0,0|2,0,0]=4 2142 B10R1.118 Cc1cc(c(cc1C)I)O TS62516 [1,1,0,0,0,0|1,0,0]=3 2143 B10R1.118 Cc1cc(c(cc1C)N)C TS06007 [1,1,0,0,0,0|1,0,0]=3 2144 B10R1.118 Cc1cc(c(cc1C)N)N TS65268 [1,1,0,0,0,0|2,0,0]=4 2145 B10R1.118 Cc1cc(c(cc1C)O)C TS06097 [1,1,0,0,0,0|0,0,0]=2 2146 B10R1.118 Cc1cc(c(cc1C)S)C TS41198 [1,1,0,0,0,0|0,1,0]=3 2147 B10R1.118 Cc1cc(c(cc1Cl)C)Cl TS02133 [1,1,0,0,0,0|2,0,0]=4 2148 B10R1.118 Cc1cc(c(cc1Cl)C)N TS41557 [1,1,0,0,0,0|2,0,0]=4 2149 B10R1.118 Cc1cc(c(cc1Cl)C)S TS13279 [1,1,0,0,0,0|1,1,0]=4 2150 B10R1.118 Cc1cc(c(cc1Cl)Cl)Cl TS52074 [1,1,0,0,0,0|2,0,0]=4 2151 B10R1.118 Cc1cc(c(cc1Cl)N)Br TS23184 [1,1,0,0,0,0|2,0,0]=4 2152 B10R1.118 Cc1cc(c(cc1Cl)N)N TS39217 [1,1,0,0,0,0|2,0,0]=4 2153 B10R1.118 Cc1cc(c(cc1Cl)N)O TS10910 [1,1,0,0,0,0|1,0,0]=3 2154 B10R1.118 Cc1cc(c(cc1F)Br)Br TS30470 [1,1,0,0,0,0|2,0,0]=4 2155 B10R1.118 Cc1cc(c(cc1F)Br)Cl TS08997 [1,1,0,0,0,0|2,0,0]=4 2156 B10R1.118 Cc1cc(c(cc1F)Br)I TS00006 [1,1,0,0,0,0|2,0,0]=4 2157 B10R1.118 Cc1cc(c(cc1F)Cl)Br TS50365 [1,1,0,0,0,0|2,0,0]=4 2158 B10R1.118 Cc1cc(c(cc1F)Cl)I TS30873 [1,1,0,0,0,0|2,0,0]=4 2159 B10R1.118 Cc1cc(c(cc1F)Cl)N TS11184 [1,1,0,0,0,0|2,0,0]=4 2160 B10R1.118 Cc1cc(c(cc1F)I)Br TS76744 [1,1,0,0,0,0|2,0,0]=4 2161 B10R1.118 Cc1cc(c(cc1F)N)Br TS65378 [1,1,0,0,0,0|2,0,0]=4 2162 B10R1.118 Cc1cc(c(cc1I)C)I TS66273 [1,1,0,0,0,0|2,0,0]=4 2163 B10R1.118 Cc1cc(c(cc1I)C)N TS27556 [1,1,0,0,0,0|2,0,0]=4 2164 B10R1.118 Cc1cc(c(cc1I)C)O TS62514 [1,1,0,0,0,0|1,0,0]=3 2165 B10R1.118 Cc1cc(c(cc1N)Br)F TS07818 [1,1,0,0,0,0|2,0,0]=4 2166 B10R1.118 Cc1cc(c(cc1N)C)N TS37047 [1,1,0,0,0,0|2,0,0]=4 2167 B10R1.118 Cc1cc(c(cc1N)Cl)N TS41731 [1,1,0,0,0,0|2,0,0]=4 2168 B10R1.118 Cc1cc(c(cc1N)F)Br TS16771 [1,1,0,0,0,0|2,0,0]=4 2169 B10R1.118 Cc1cc(c(cc1N)N)C TS37028 [1,1,0,0,0,0|1,0,0]=3 2170 B10R1.118 Cc1cc(c(cc1O)C)N TS70865 [1,1,0,0,0,0|1,0,0]=3 2171 B10R1.118 Cc1cc(c(cc1O)F)F TS39455 [1,1,0,0,0,0|1,0,0]=3 2172 B10R1.118 Cc1cc(c(cc1O)N)Cl TS10914 [1,1,0,0,0,0|1,0,0]=3 2173 B10R1.118 Cc1cc(c(cc1O)N)F TS39521 [1,1,0,0,0,0|1,0,0]=3 2174 B10R1.118 c1c(c(cc(c1Br)F)Cl)O TS16980 [1,1,0,0,0,0|2,0,0]=4 2175 B10R1.118 c1c(c(cc(c1Br)O)Br)O TS30468 [1,1,0,0,0,0|2,0,0]=4 2176 B10R1.118 c1c(c(cc(c1Cl)Br)Cl)O TS57629 [1,1,0,0,0,0|2,0,0]=4 2177 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TS00577 [1,1,0,0,0,0|2,0,0]=4 2178 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TS22663 [1,1,0,0,0,0|2,0,0]=4 2179 B10R1.118 c1c(c(cc(c1Cl)O)Cl)N TS59925 [1,1,0,0,0,0|2,0,0]=4 2180 B10R1.118 c1c(c(cc(c1Cl)O)Cl)O TS47650 [1,1,0,0,0,0|2,0,0]=4 2181 B10R1.118 c1c(c(cc(c1F)Br)F)O TS43580 [1,1,0,0,0,0|2,0,0]=4 2182 B10R1.118 c1c(c(cc(c1F)F)Br)O TS59950 [1,1,0,0,0,0|2,0,0]=4 2183 B10R1.118 c1c(c(cc(c1F)F)F)O TS40588 [1,1,0,0,0,0|2,0,0]=4 2184 B10R1.118 c1c(c(cc(c1F)F)O)N TS00734 [1,1,0,0,0,0|2,0,0]=4 2185 B10R1.118 c1c(c(cc(c1F)O)F)N TS40276 [1,1,0,0,0,0|2,0,0]=4 2186 B10R1.118 c1c(c(cc(c1N)O)O)N TS37349 [1,1,0,0,0,0|2,0,0]=4 2187 B10R1.118 c1c(c(cc(c1O)Cl)Cl)N TS16360 [1,1,0,0,0,0|2,0,0]=4 2188 B10R1.118 c1c(c(cc(c1O)Cl)Cl)N TS44593 [1,1,0,0,0,0|2,0,0]=4 2189 B10R1.118 c1c(c(cc(c1O)Cl)Cl)O TS33145 [1,1,0,0,0,0|2,0,0]=4 2190 B10R1.118 c1c(c(cc(c1O)Cl)F)N TS39520 [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.118 c1c(c(cc(c1O)N)O)N TS21439 [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.119 Cc1c(c(=O)ccn1C)O TS06373 [1,1,0,0,0,0|1,0,1]=4 2193 B10R1.119 Cc1c(c(ccc1F)Br)C TS19504 [1,1,0,0,0,0|2,0,0]=4 2194 B10R1.119 Cc1c(c(ccc1F)F)C TS46806 [1,1,0,0,0,0|2,0,0]=4 2195 B10R1.119 Cc1c(c(ccc1N)F)C TS37296 [1,1,0,0,0,0|2,0,0]=4 2196 B10R1.119 Cc1c(c(ccc1N)O)C TS37123 [1,1,0,0,0,0|1,0,0]=3 2197 B10R1.119 Cc1c(c(ccc1O)Br)C TS38044 [1,1,0,0,0,0|1,0,0]=3 2198 B10R1.119 Cc1c(c(ccc1O)F)C TS06458 [1,1,0,0,0,0|1,0,0]=3 2199 B10R1.119 Cc1c(c(ccc1O)I)C TS62513 [1,1,0,0,0,0|1,0,0]=3 2200 B10R1.119 Cc1c(c(ccc1O)O)C TS47167 [1,1,0,0,0,0|1,0,0]=3 2201 B10R1.119 Cc1c(ccc(c1Cl)Br)N TS23185 [1,1,0,0,0,0|2,0,0]=4 2202 B10R1.119 Cc1c(ccc(c1Cl)Cl)Cl TS52071 [1,1,0,0,0,0|2,0,0]=4 2203 B10R1.119 Cc1c(ccc(c1Cl)N)Cl TS09224 [1,1,0,0,0,0|2,0,0]=4 2204 B10R1.119 Cc1c(ccc(c1F)Br)F TS39121 [1,1,0,0,0,0|2,0,0]=4 2205 B10R1.119 Cc1c(ccc(c1F)F)Br TS39120 [1,1,0,0,0,0|2,0,0]=4 2206 B10R1.119 Cc1c(ccc(c1N)N)F TS16833 [1,1,0,0,0,0|2,0,0]=4 2207 B10R1.119 Cc1ccc(c(c1C)C)C TS59878 [1,1,0,0,0,0|1,0,0]=3 2208 B10R1.119 Cc1ccc(c(c1C)F)C TS06284 [1,1,0,0,0,0|1,0,0]=3 2209 B10R1.119 Cc1ccc(c(c1C)N)N TS37042 [1,1,0,0,0,0|2,0,0]=4 2210 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [1,1,0,0,0,0|1,0,0]=3 2211 B10R1.119 Cc1ccc(c(c1Cl)Br)Cl TS26441 [1,1,0,0,0,0|2,0,0]=4 2212 B10R1.119 Cc1ccc(c(c1Cl)Cl)Cl TS52069 [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.119 Cc1ccc(c(c1Cl)N)Cl TS47288 [1,1,0,0,0,0|2,0,0]=4 2214 B10R1.119 Cc1ccc(c(c1Cl)O)F TS42238 [1,1,0,0,0,0|1,0,0]=3 2215 B10R1.119 Cc1ccc(c(c1F)C)Br TS19503 [1,1,0,0,0,0|1,0,0]=3 2216 B10R1.119 Cc1ccc(c(c1F)F)F TS60224 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.119 Cc1ccc(c(c1F)F)O TS06918 [1,1,0,0,0,0|1,0,0]=3 2218 B10R1.119 Cc1ccc(c(c1F)O)Cl TS42236 [1,1,0,0,0,0|1,0,0]=3 2219 B10R1.119 Cc1ccc(c(c1F)O)F TS06919 [1,1,0,0,0,0|1,0,0]=3 2220 B10R1.119 Cc1ccc(c(c1I)C)I TS66274 [1,1,0,0,0,0|1,0,0]=3 2221 B10R1.119 Cc1ccc(c(c1N)C)Cl TS10627 [1,1,0,0,0,0|1,0,0]=3 2222 B10R1.119 Cc1ccc(c(c1O)C)O TS06266 [1,1,0,0,0,0|0,0,0]=2 2223 B10R1.119 Cc1ccc(c(c1O)Cl)N TS16778 [1,1,0,0,0,0|2,0,0]=4 2224 B10R1.119 c1cc(c(c(c1Cl)O)Cl)Cl TS18505 [1,1,0,0,0,0|2,0,0]=4 2225 B10R1.119 c1cc(c(c(c1F)O)Cl)F TS65396 [1,1,0,0,0,0|2,0,0]=4 2226 B10R1.119 c1cc(c(c(c1F)O)F)Cl TS42824 [1,1,0,0,0,0|2,0,0]=4 2227 B10R1.119 c1cc(c(c(c1F)O)F)F TS40587 [1,1,0,0,0,0|2,0,0]=4 2228 B10R1.119 c1cc(c(c(c1N)F)Cl)O TS08675 [1,1,0,0,0,0|2,0,0]=4 2229 B10R1.119 c1cc(c(c(c1N)F)F)O TS08674 [1,1,0,0,0,0|2,0,0]=4 2230 B10R1.119 c1cc(c(c(c1O)Cl)Cl)Cl TS47132 [1,1,0,0,0,0|2,0,0]=4 2231 B10R1.119 c1cc(c(c(c1O)Cl)N)Cl TS65068 [1,1,0,0,0,0|2,0,0]=4 2232 B10R1.119 c1cc(c(c(c1O)F)F)Br TS00002 [1,1,0,0,0,0|2,0,0]=4 2233 B10R1.119 c1cc(c(c(c1O)F)F)F TS65299 [1,1,0,0,0,0|2,0,0]=4 2234 B10R1.119 c1cc(c(c(c1O)F)F)I TS67794 [1,1,0,0,0,0|2,0,0]=4 2235 B10R1.119 c1cc(c(c(c1O)F)F)O TS40362 [1,1,0,0,0,0|2,0,0]=4 2236 B12R1.14 COc1cc(c(c(c1Cl)Cl)Cl)Cl TS62229 [0,2,0,0,0,0|2,0,0]=4 2237 B12R1.234 Cc1cc(c(c(c1)OC)OC)O TS12526 [0,2,0,0,0,0|0,0,0]=2 2238 B12R1.235 CCc1cc(cc(c1N)CC)C TS11762 [0,2,0,0,0,0|2,0,0]=4 2239 B12R1.235 COC1=CC(=O)C=C(C1=O)CO TS44811 [0,2,0,0,0,0|1,0,1]=4 2240 B12R1.235 COC1=CC(=O)C=C(C1=O)OC TS12483 [0,2,0,0,0,0|1,0,1]=4 2241 B12R1.235 COc1cc(cc(c1O)C#N)Br TS52576 [0,2,0,0,0,0|1,0,0]=3 2242 B12R1.235 COc1cc(cc(c1O)C=O)Br TS53112 [0,2,0,0,0,0|1,0,0]=3 2243 B12R1.235 COc1cc(cc(c1O)C=O)I TS33983 [0,2,0,0,0,0|1,0,0]=3 2244 B12R1.235 COc1cc(cc(c1O)OC)O TS12771 [0,2,0,0,0,0|1,0,0]=3 2245 B12R1.235 Cc1cc(c(c(c1)C=O)O)C=O TS11820 [0,2,0,0,0,0|2,0,0]=4 2246 B12R1.235 Cc1cc(c(c(c1)CO)O)CO TS44858 [0,2,0,0,0,0|2,0,0]=4 2247 B12R1.235 Cc1cc(c(c(c1)OC)O)OC TS44867 [0,2,0,0,0,0|0,0,0]=2 2248 B12R1.300 COc1cc(c(c(c1)Br)O)C=O TS53121 [0,2,0,0,0,0|2,0,0]=4 2249 B12R1.300 COc1cc(c(c(c1)F)Br)OC TS25678 [0,2,0,0,0,0|1,0,0]=3 2250 B12R1.300 COc1cc(cc(c1O)Br)C=O TS60335 [0,2,0,0,0,0|0,0,1]=3 2251 B12R1.300 COc1cc(cc(c1O)Cl)C=O TS15712 [0,2,0,0,0,0|0,0,1]=3 2252 B12R1.300 COc1cc(cc(c1O)Cl)CO TS16088 [0,2,0,0,0,0|0,0,0]=2 2253 B12R1.300 COc1cc(cc(c1O)F)C=O TS85082 [0,2,0,0,0,0|0,0,1]=3 2254 B12R1.300 COc1cc(cc(c1O)I)C=O TS33986 [0,2,0,0,0,0|0,0,1]=3 2255 B12R1.300 COc1cc(cc(c1O)I)CO TS54296 [0,2,0,0,0,0|0,0,0]=2 2256 B12R1.300 COc1cc(cc(c1O)O)C=O TS44818 [0,2,0,0,0,0|0,0,1]=3 2257 B12R1.300 Cc1cc(cc(c1O)CO)SC TS15317 [0,2,0,0,0,0|2,0,0]=4 2258 B12R1.300 Cc1cc(cc(c1O)OC)C#N TS85848 [0,2,0,0,0,0|0,0,1]=3 2259 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br TS58434 [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl TS27943 [0,2,0,0,0,0|2,0,0]=4 2261 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl TS19908 [0,2,0,0,0,0|2,0,0]=4 2262 B12R1.511 CC(=O)c1cc(cc(c1O)F)F TS46707 [0,2,0,0,0,0|2,0,0]=4 2263 B12R1.511 Cc1cc(c(c(c1)Br)O)[N+](=O)[O-] TS53252 [0,2,0,0,0,0|2,0,0]=4 2264 B12R1.511 Cc1cc(c(c(c1)C(=O)C)O)C TS08853 [0,2,0,0,0,0|1,0,0]=3 2265 B12R1.511 Cc1cc(c(c(c1)I)O)[N+](=O)[O-] TS54199 [0,2,0,0,0,0|2,0,0]=4 2266 B12R1.511 Cc1cc(c(c(c1)N)O)C(=O)C TS12008 [0,2,0,0,0,0|1,0,0]=3 2267 B12R1.511 Cc1cc(c(c(c1)O)O)C(=O)O TS44833 [0,2,0,0,0,0|2,0,0]=4 2268 B12R1.511 Cc1cc(c(c(c1)[N+](=O)[O-])O)C TS12352 [0,2,0,0,0,0|2,0,0]=4 2269 B12R1.511 Cc1cc(c(c(c1)[N+](=O)[O-])O)N TS12493 [0,2,0,0,0,0|2,0,0]=4 2270 B12R1.705 COc1c(c(cc(c1Cl)Cl)Cl)Cl TS62228 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.705 COc1c(c(cc(c1F)F)F)F TS00540 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.46 B(c1cc(ccc1OC)C)(O)O TS01095 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.46 CC(=O)c1cc(ccc1OC)Br TS59718 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.46 CC(=O)c1cc(ccc1OC)Cl TS48663 [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.46 CC(=O)c1cc(ccc1OC)F TS44857 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.46 CC(c1cc(ccc1CO)O)N TS38511 [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.46 Cc1ccc(c(c1)C(=S)O)OC TS54029 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])CO TS12358 [0,2,0,0,0,0|2,0,0]=4 2279 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])OC TS71216 [0,2,0,0,0,0|2,0,0]=4 2280 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O TS03052 [0,2,0,0,0,0|1,0,0]=3 2281 B12R1.57 B(c1ccc(cc1OC)F)(O)O TS59615 [0,2,0,0,0,0|1,0,0]=3 2282 B12R1.57 B(c1ccc(nc1OC)C)(O)O TS43181 [0,2,0,0,0,0|1,0,0]=3 2283 B12R1.57 B(c1cnc(cc1OC)C)(O)O TS12325 [0,2,0,0,0,0|1,0,0]=3 2284 B12R1.57 CC(=O)c1ccc(cc1OC)F TS46717 [0,2,0,0,0,0|1,0,1]=4 2285 B12R1.57 COc1cc(ccc1C(=O)O)Br TS59606 [0,2,0,0,0,0|1,0,0]=3 2286 B12R1.57 COc1cc(ccc1C(=O)O)Cl TS01848 [0,2,0,0,0,0|1,0,0]=3 2287 B12R1.57 COc1cc(ccc1C(=O)O)F TS59614 [0,2,0,0,0,0|1,0,0]=3 2288 B12R1.57 COc1cc(ccc1C(=O)O)N TS01091 [0,2,0,0,0,0|1,0,0]=3 2289 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl TS03256 [0,2,0,0,0,0|1,0,1]=4 2290 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F TS03304 [0,2,0,0,0,0|1,0,1]=4 2291 B12R1.57 Cc1ccc(c(c1)OC)C(=O)O TS71229 [0,2,0,0,0,0|0,0,0]=2 2292 B12R1.57 Cc1ccc(c(c1)OC)C(C)C TS42786 [0,2,0,0,0,0|1,0,0]=3 2293 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] TS08709 [0,2,0,0,0,0|0,0,1]=3 2294 B12R1.57 Cc1ccc(c(n1)OC)[N+](=O)[O-] TS12489 [0,2,0,0,0,0|1,0,1]=4 2295 B12R1.78 CCc1ccc(c(c1)CC)CC TS42509 [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.78 COc1cc(ccc1C=O)C#N TS32964 [0,2,0,0,0,0|0,0,2]=4 2297 B12R1.78 COc1cc(ccc1CBr)C#N TS24110 [0,2,0,0,0,0|1,0,1]=4 2298 B12R1.78 COc1cc(ccc1SC)C=O TS15004 [0,2,0,0,0,0|0,1,1]=4 2299 B12R1.78 COc1ccc(c(c1)C#N)OC TS11699 [0,2,0,0,0,0|2,0,0]=4 2300 B12R1.78 COc1ccc(c(c1)C=O)OC TS02137 [0,2,0,0,0,0|2,0,0]=4 2301 B12R1.78 COc1ccc(c(c1)CCl)OC TS49008 [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.78 COc1ccc(c(c1)CN)OC TS43240 [0,2,0,0,0,0|2,0,0]=4 2303 B12R1.78 COc1ccc(c(c1)CO)OC TS44863 [0,2,0,0,0,0|2,0,0]=4 2304 B12R1.78 COc1ccc(c(c1)OC)C#N TS42561 [0,2,0,0,0,0|1,0,0]=3 2305 B12R1.78 COc1ccc(c(c1)OC)C=O TS22990 [0,2,0,0,0,0|0,0,1]=3 2306 B12R1.78 COc1ccc(c(c1)OC)CN TS47233 [0,2,0,0,0,0|1,0,0]=3 2307 B12R1.78 COc1ccc(c(c1)OC)CN TS47270 [0,2,0,0,0,0|1,0,0]=3 2308 B12R1.78 COc1ccc(c(c1)OC)CO TS47232 [0,2,0,0,0,0|0,0,0]=2 2309 B12R1.78 COc1ccc(c(c1)OC)OC TS12521 [0,2,0,0,0,0|0,0,0]=2 2310 B12R1.78 COc1ccc(c(c1)OC)[Mg]Br TS57586 [0,2,0,0,0,0|1,0,0]=3 2311 B12R1.78 COc1ccc(c(c1)OC)[N+]#[C-] TS11685 [0,2,0,0,0,0|1,0,0]=3 2312 B12R1.78 COc1ccc(c(c1)[N+]#[C-])OC TS42577 [0,2,0,0,0,0|1,0,1]=4 2313 B12R1.78 COc1ccc(c(n1)OC)C=O TS07704 [0,2,0,0,0,0|1,0,1]=4 2314 B12R1.78 COc1ccc(cc1OC)C#C TS11536 [0,2,0,0,0,0|0,0,1]=3 2315 B12R1.78 COc1ccc(cc1OC)C=C TS11888 [0,2,0,0,0,0|0,0,1]=3 2316 B12R1.78 COc1ccc(cc1OC)C=O TS60325 [0,2,0,0,0,0|0,0,1]=3 2317 B12R1.78 COc1ccc(cc1OC)CBr TS25019 [0,2,0,0,0,0|0,0,0]=2 2318 B12R1.78 COc1ccc(cc1OC)CCl TS49007 [0,2,0,0,0,0|0,0,0]=2 2319 B12R1.78 COc1ccc(cc1OC)CN TS38506 [0,2,0,0,0,0|0,0,0]=2 2320 B12R1.78 COc1ccc(cc1OC)CN TS43248 [0,2,0,0,0,0|0,0,0]=2 2321 B12R1.78 COc1ccc(cc1OC)CO TS44868 [0,2,0,0,0,0|0,0,0]=2 2322 B12R1.78 COc1ccc(cc1OC)NN TS19879 [0,2,0,0,0,0|1,0,0]=3 2323 B12R1.78 COc1ccc(cc1OC)SC TS48595 [0,2,0,0,0,0|0,0,0]=2 2324 B12R1.78 COc1ccc(cc1OC)[Mg]Br TS57585 [0,2,0,0,0,0|1,0,0]=3 2325 B12R1.78 COc1ccc(cc1OC)[N+]#[C-] TS42575 [0,2,0,0,0,0|0,0,1]=3 2326 B12R1.112 COc1cc(ccc1CC#N)F TS42880 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.268 COc1ccc(cc1CCN)Br TS76464 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.268 COc1ccc(cc1CCN)F TS38898 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.268 Cc1ccc(c(c1)N=C=O)OC TS42568 [0,2,0,0,0,0|1,0,1]=4 2330 B12R1.448 COC1=CC(=O)C(=O)C=C1OC TS12484 [0,2,0,0,0,0|1,0,0]=3 2331 B12R1.448 COc1cc(c(cc1C#N)F)F TS39454 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.448 COc1cc(c(cc1C=O)F)F TS02219 [0,2,0,0,0,0|1,0,1]=4 2333 B12R1.448 COc1cc(c(cc1OC)Br)Br TS35852 [0,2,0,0,0,0|1,0,0]=3 2334 B12R1.448 COc1cc(c(cc1OC)Cl)Cl TS39134 [0,2,0,0,0,0|1,0,0]=3 2335 B12R1.448 COc1cc(c(cc1OC)F)F TS13450 [0,2,0,0,0,0|1,0,0]=3 2336 B12R1.448 COc1cc(c(cc1OC)I)Br TS64363 [0,2,0,0,0,0|1,0,0]=3 2337 B12R1.448 COc1cc(c(cc1OC)I)I TS67497 [0,2,0,0,0,0|1,0,0]=3 2338 B12R1.448 COc1cc(c(cc1OC)N)N TS12536 [0,2,0,0,0,0|1,0,0]=3 2339 B12R1.448 COc1cc(c(cc1OC)N)N TS57508 [0,2,0,0,0,0|1,0,0]=3 2340 B12R1.448 COc1cc(c(cc1OC)O)O TS12782 [0,2,0,0,0,0|1,0,0]=3 2341 B12R1.448 Cc1cc(c(cc1C)CO)CO TS43117 [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.448 Cc1cc(c(cc1N)OC)OC TS39457 [0,2,0,0,0,0|0,0,0]=2 2343 B12R1.652 Cc1c(c(ccn1=O)OC)OC TS44997 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.98 COc1c(cc(c(c1Br)O)Br)Br TS66402 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.98 Cc1c(cc(c(c1Br)OC)Br)Br TS79460 [0,2,0,0,0,0|1,0,0]=3 2346 B12R1.654 COc1c(ccc(c1F)C#N)F TS02126 [0,2,0,0,0,0|1,0,1]=4 2347 B12R1.654 Cc1cnc(c(c1OC)C)CCl TS86924 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.654 Cc1cnc(c(c1OC)C)CO TS71210 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.741 COC1=C(C(=O)C=CC1=O)OC TS44829 [0,2,0,0,0,0|1,0,1]=4 2350 B12R1.741 COc1c(ccc(c1OC)O)O TS12775 [0,2,0,0,0,0|1,0,0]=3 2351 B12R1.894 Cc1ccc(c(c1C)C(=O)C)C TS42484 [0,2,0,0,0,0|2,0,0]=4 2352 B12R1.894 Cc1ccc(c(c1Cl)C(=O)C)F TS49000 [0,2,0,0,0,0|2,0,0]=4 2353 B12R1.894 Cc1ccc(c(c1F)C(=O)C)Cl TS48995 [0,2,0,0,0,0|2,0,0]=4 2354 B12R1.894 Cc1ccc(c(c1F)C(=O)C)F TS45100 [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.128 CC(C)(C)c1cc(ccc1O)O TS12263 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.128 CC(C)(C)c1cc(ccc1O)O TS62860 [0,2,0,0,0,0|2,0,0]=4 2357 B12R1.128 Cc1ccc(c(c1)C(C)(C)C)O TS42799 [0,2,0,0,0,0|1,0,0]=3 2358 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,2,0,0,0,0|2,0,0]=4 2359 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,2,0,0,0,0|1,0,0]=3 2360 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,2,0,0,0,0|2,0,0]=4 2361 B12R1.232 Cc1cc(c(cc1Cl)C(C)C)O TS48690 [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.232 Cc1cc(c(cc1Cl)F)C(=O)C TS48997 [0,2,0,0,0,0|2,0,0]=4 2363 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS12068 [0,2,0,0,0,0|2,0,0]=4 2364 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS38182 [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.232 Cc1cc(c(cc1O)C)C(=O)C TS42744 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.354 CCC(=O)c1cc(ccc1O)Br TS52798 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.354 CCC(=O)c1cc(ccc1O)C TS42743 [0,2,0,0,0,0|1,0,0]=3 2368 B12R1.354 CCC(=O)c1cc(ccc1O)Cl TS60084 [0,2,0,0,0,0|2,0,0]=4 2369 B12R1.354 CCC(=O)c1cc(ccc1O)F TS44842 [0,2,0,0,0,0|2,0,0]=4 2370 B12R1.354 CCC(=O)c1cc(ccc1O)O TS12160 [0,2,0,0,0,0|2,0,0]=4 2371 B12R1.354 CC[C@H](c1cc(ccc1C)C)N TS11748 [0,2,0,0,0,0|2,0,0]=4 2372 B12R1.354 CN(c1cc(ccc1O)O)N=O TS12492 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.354 COC(=O)c1cc(ccc1Br)Br TS58437 [0,2,0,0,0,0|2,0,0]=4 2374 B12R1.354 COC(=O)c1cc(ccc1Br)Cl TS29461 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.354 COC(=O)c1cc(ccc1Br)F TS32906 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl TS19911 [0,2,0,0,0,0|2,0,0]=4 2377 B12R1.354 COC(=O)c1cc(ccc1Cl)I TS58673 [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.354 COC(=O)c1cc(ccc1Cl)N TS15522 [0,2,0,0,0,0|2,0,0]=4 2379 B12R1.354 COC(=O)c1cc(ccc1F)N TS44983 [0,2,0,0,0,0|2,0,0]=4 2380 B12R1.354 COC(=O)c1cc(ccc1I)O TS33984 [0,2,0,0,0,0|2,0,0]=4 2381 B12R1.354 COC(=O)c1cc(ccc1N)Br TS08543 [0,2,0,0,0,0|2,0,0]=4 2382 B12R1.354 COC(=O)c1cc(ccc1N)Cl TS16582 [0,2,0,0,0,0|2,0,0]=4 2383 B12R1.354 COC(=O)c1cc(ccc1N)F TS00786 [0,2,0,0,0,0|2,0,0]=4 2384 B12R1.354 COC(=O)c1cc(ccc1N)I TS31197 [0,2,0,0,0,0|2,0,0]=4 2385 B12R1.354 COC(=O)c1cc(ccc1O)Br TS53120 [0,2,0,0,0,0|1,0,0]=3 2386 B12R1.354 COC(=O)c1cc(ccc1O)Cl TS15713 [0,2,0,0,0,0|1,0,0]=3 2387 B12R1.354 COC(=O)c1cc(ccc1O)F TS16583 [0,2,0,0,0,0|1,0,0]=3 2388 B12R1.354 COC(=O)c1cc(ccc1O)I TS33987 [0,2,0,0,0,0|1,0,0]=3 2389 B12R1.354 COC(=O)c1cc(ccc1O)N TS43220 [0,2,0,0,0,0|1,0,0]=3 2390 B12R1.354 COC(=O)c1cc(ccc1O)O TS60141 [0,2,0,0,0,0|1,0,0]=3 2391 B12R1.354 COC(=O)c1cc(cnc1O)Br TS88516 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.354 Cc1cc(c(nc1)N)C(=O)OC TS43065 [0,2,0,0,0,0|2,0,0]=4 2393 B12R1.354 Cc1ccc(c(c1)C(=O)CBr)O TS52794 [0,2,0,0,0,0|1,0,0]=3 2394 B12R1.354 Cc1ccc(c(c1)C(=O)NO)O TS12353 [0,2,0,0,0,0|2,0,0]=4 2395 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I TS31069 [0,2,0,0,0,0|1,0,0]=3 2396 B12R1.354 Cc1ccc(c(c1)C(=O)OC)O TS16588 [0,2,0,0,0,0|0,0,0]=2 2397 B12R1.354 Cc1ccc(cc1C(=O)OC)Br TS85253 [0,2,0,0,0,0|2,0,0]=4 2398 B12R1.354 Cc1ccc(cc1C(=O)OC)F TS16584 [0,2,0,0,0,0|2,0,0]=4 2399 B12R1.354 Cc1ccc(cc1C(=O)OC)I TS33764 [0,2,0,0,0,0|2,0,0]=4 2400 B12R1.354 Cc1ccc(cc1C(=O)OC)N TS56296 [0,2,0,0,0,0|2,0,0]=4 2401 B12R1.354 Cc1ccc(cc1C(=O)OC)O TS12198 [0,2,0,0,0,0|2,0,0]=4 2402 B12R1.354 c1cc(c(cc1Br)C(=O)CBr)O TS58432 [0,2,0,0,0,0|2,0,0]=4 2403 B12R1.354 c1cc(c(cc1Cl)C(=O)CBr)O TS27944 [0,2,0,0,0,0|2,0,0]=4 2404 B12R1.354 c1cc(c(cc1F)C(=O)CBr)O TS53410 [0,2,0,0,0,0|2,0,0]=4 2405 B12R1.354 c1cc(c(cc1O)C(=O)CBr)O TS53114 [0,2,0,0,0,0|2,0,0]=4 2406 B12R1.453 CC(=O)c1cc(ccc1O)C#N TS08802 [0,2,0,0,0,0|1,0,1]=4 2407 B12R1.453 CC(=O)c1cc(ccc1O)OC TS01830 [0,2,0,0,0,0|1,0,0]=3 2408 B12R1.453 CC(C)c1cc(ccc1F)CN TS32836 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.453 CCc1ccc(c(c1)C(=O)C)O TS42737 [0,2,0,0,0,0|1,0,0]=3 2410 B12R1.453 COc1ccc(c(c1)C(=O)N)O TS12363 [0,2,0,0,0,0|2,0,0]=4 2411 B12R1.453 COc1ccc(c(c1)C(=O)O)O TS17013 [0,2,0,0,0,0|2,0,0]=4 2412 B12R1.453 COc1ccc(c(c1)C(=O)O)O TS44815 [0,2,0,0,0,0|2,0,0]=4 2413 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])O TS59621 [0,2,0,0,0,0|2,0,0]=4 2414 B12R1.453 c1cc(c(cc1CN)C(=O)O)O TS71380 [0,2,0,0,0,0|2,0,0]=4 2415 B12R1.453 c1cc(c(cc1CO)[N+](=O)[O-])O TS12647 [0,2,0,0,0,0|2,0,0]=4 2416 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl TS07914 [0,2,0,0,0,0|2,0,0]=4 2417 B12R1.127 CC(C)Oc1cc(ccc1N)F TS38899 [0,2,0,0,0,0|2,0,0]=4 2418 B12R1.127 CN(C)Cc1cc(ccc1O)F TS12685 [0,2,0,0,0,0|2,0,0]=4 2419 B12R1.127 Cc1ccc(c(c1)CC(=O)C)C TS42485 [0,2,0,0,0,0|2,0,0]=4 2420 B12R1.127 Cc1ccc(c(c1)CC(C)C)C TS42510 [0,2,0,0,0,0|2,0,0]=4 2421 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O TS65018 [0,2,0,0,0,0|1,0,0]=3 2422 B12R1.127 Cc1ccc(c(c1)OC(=O)C)C TS11870 [0,2,0,0,0,0|1,0,0]=3 2423 B12R1.270 CCOc1cc(ccc1Br)C#N TS24114 [0,2,0,0,0,0|1,0,1]=4 2424 B12R1.270 CCOc1cc(ccc1O)C=O TS12168 [0,2,0,0,0,0|0,0,1]=3 2425 B12R1.270 CCOc1cc(ccc1O)CN TS43244 [0,2,0,0,0,0|0,0,0]=2 2426 B12R1.270 CCOc1cc(ccc1O)CO TS12528 [0,2,0,0,0,0|0,0,0]=2 2427 B12R1.374 Cc1ccc(c(c1)SCCO)C TS15031 [0,2,0,0,0,0|1,1,0]=4 2428 B12R1.1123 c1c(c(cc(c1O)O)O)CCN TS27983 [0,2,0,0,0,0|2,0,0]=4 2429 B12R1.1123 c1c(c(cc(c1O)O)O)CCN TS38879 [0,2,0,0,0,0|2,0,0]=4 2430 B12R1.449 COc1cc(c(cc1Br)Br)OC TS35851 [0,2,0,0,0,0|1,0,0]=3 2431 B12R1.449 COc1cc(c(cc1Cl)F)C=O TS16080 [0,2,0,0,0,0|1,0,1]=4 2432 B12R1.449 COc1cc(c(cc1N)Cl)OC TS15878 [0,2,0,0,0,0|1,0,0]=3 2433 B12R1.449 COc1cc(c(cc1O)Br)C=O TS08323 [0,2,0,0,0,0|0,0,1]=3 2434 B12R1.450 COC1=CC(=O)C(=CC1=O)OC TS44813 [0,2,0,0,0,0|1,0,1]=4 2435 B12R1.450 COc1cc(c(cc1Br)OC)Br TS35850 [0,2,0,0,0,0|2,0,0]=4 2436 B12R1.450 COc1cc(c(cc1Cl)OC)Cl TS39136 [0,2,0,0,0,0|2,0,0]=4 2437 B12R1.450 COc1cc(c(cc1Cl)OC)N TS50620 [0,2,0,0,0,0|2,0,0]=4 2438 B12R1.450 COc1cc(c(cc1F)OC)F TS45725 [0,2,0,0,0,0|2,0,0]=4 2439 B12R1.450 COc1cc(c(cc1I)OC)Cl TS56067 [0,2,0,0,0,0|2,0,0]=4 2440 B12R1.450 Cc1cc(c(cc1OC)Br)OC TS25014 [0,2,0,0,0,0|1,0,0]=3 2441 B12R1.450 Cc1cc(c(cc1OC)C)C=O TS11896 [0,2,0,0,0,0|1,0,0]=3 2442 B12R1.450 Cc1cc(c(cc1OC)I)OC TS33991 [0,2,0,0,0,0|1,0,0]=3 2443 B12R1.450 Cc1cc(c(cc1OC)O)OC TS44866 [0,2,0,0,0,0|0,0,0]=2 2444 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O TS46468 [0,2,0,0,0,0|2,0,0]=4 2445 B12R1.56 B(c1ccc(c(c1)OC)Cl)(O)O TS85493 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O TS07663 [0,2,0,0,0,0|2,0,0]=4 2447 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O TS42285 [0,2,0,0,0,0|2,0,0]=4 2448 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O TS08973 [0,2,0,0,0,0|2,0,0]=4 2449 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [0,2,0,0,0,0|1,0,0]=3 2450 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [0,2,0,0,0,0|1,0,0]=3 2451 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [0,2,0,0,0,0|0,0,0]=2 2452 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [0,2,0,0,0,0|0,0,0]=2 2453 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [0,2,0,0,0,0|1,0,1]=4 2454 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] TS55131 [0,2,0,0,0,0|2,0,0]=4 2455 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [0,2,0,0,0,0|1,0,1]=4 2456 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] TS00919 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [0,2,0,0,0,0|1,0,1]=4 2458 B12R1.56 COc1cc(ccc1F)N(=O)=O TS01012 [0,2,0,0,0,0|2,0,0]=4 2459 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] TS09307 [0,2,0,0,0,0|2,0,0]=4 2460 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [0,2,0,0,0,0|1,0,1]=4 2461 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] TS09310 [0,2,0,0,0,0|2,0,0]=4 2462 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [0,2,0,0,0,0|0,0,1]=3 2463 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [0,2,0,0,0,0|0,0,1]=3 2464 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS01094 [0,2,0,0,0,0|1,0,0]=3 2465 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS17237 [0,2,0,0,0,0|1,0,0]=3 2466 B12R1.56 COc1cc(cnc1O)[N+](=O)[O-] TS65096 [0,2,0,0,0,0|2,0,0]=4 2467 B12R1.56 C[C@@H](c1ccc(c(c1)OC)F)N TS12686 [0,2,0,0,0,0|1,0,0]=3 2468 B12R1.56 Cc1ccc(cc1OC)C(=O)N TS12003 [0,2,0,0,0,0|1,0,1]=4 2469 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [0,2,0,0,0,0|1,0,1]=4 2470 B12R1.56 Cc1ccc(cc1OC)[N+](=O)[O-] TS39679 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.286 CC=Cc1ccc(c(c1)OC)O TS11885 [0,2,0,0,0,0|0,0,0]=2 2472 B12R1.286 CCCc1ccc(c(c1)OC)O TS12255 [0,2,0,0,0,0|0,0,0]=2 2473 B12R1.286 COc1cc(ccc1F)CC#N TS42878 [0,2,0,0,0,0|1,0,0]=3 2474 B12R1.286 COc1cc(ccc1O)C=NO TS43214 [0,2,0,0,0,0|0,0,1]=3 2475 B12R1.286 COc1cc(ccc1O)CC#N TS11709 [0,2,0,0,0,0|0,0,0]=2 2476 B12R1.286 COc1cc(ccc1O)CC=C TS11869 [0,2,0,0,0,0|0,0,0]=2 2477 B12R1.286 COc1cc(ccc1O)CCN TS22775 [0,2,0,0,0,0|0,0,0]=2 2478 B12R1.286 COc1cc(ccc1O)CCN TS22835 [0,2,0,0,0,0|0,0,0]=2 2479 B12R1.286 COc1cc(ccc1O)CCO TS03115 [0,2,0,0,0,0|0,0,0]=2 2480 B12R1.286 Cc1ccc(cc1OC)CC#N TS60016 [0,2,0,0,0,0|1,0,0]=3 2481 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,0,1,1,0,0|2,0,0]=4 2482 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,0,1,1,0,0|2,0,0]=4 2483 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,0,1,1,0,0|1,0,0]=3 2484 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,0,1,1,0,0|2,0,0]=4 2485 B10R1.17 COC=Cc1ccccc1 TS36842 [0,0,1,1,0,0|1,0,1]=4 2486 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [1,0,0,1,0,0|2,0,0]=4 2487 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [1,0,0,1,0,0|2,0,0]=4 2488 B10R2.7 B1Oc2ccccc2O1 TS39809 [1,0,0,1,0,0|1,0,0]=3 2489 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|2,0,0]=4 2490 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|2,0,0]=4 2491 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|1,0,0]=3 2492 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [1,0,0,1,0,0|2,0,0]=4 2493 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|0,0,0]=2 2494 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [1,0,0,1,0,0|0,2,0]=4 2495 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,1,0,0|1,0,1]=4 2496 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,1,0,0|2,0,0]=4 2497 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,1,0,0|1,0,1]=4 2498 B12R2.246 c1c(cc(c2c1CCO2)Br)Br TS31289 [0,1,0,1,0,0|2,0,0]=4 2499 B12R2.246 c1c(cc(c2c1CCO2)F)F TS10658 [0,1,0,1,0,0|2,0,0]=4 2500 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [0,1,0,1,0,0|2,0,0]=4 2501 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [0,1,0,1,0,0|2,0,0]=4 2502 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [0,1,0,1,0,0|2,0,0]=4 2503 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [0,1,0,1,0,0|2,0,0]=4 2504 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [0,1,0,1,0,0|2,0,0]=4 2505 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [0,1,0,1,0,0|2,0,0]=4 2506 B12R2.24 Cc1ccc2c(c1)NCCO2 TS48809 [0,1,0,1,0,0|1,0,0]=3 2507 B12R2.24 Cc1ccc2c(n1)NCCO2 TS40874 [0,1,0,1,0,0|2,0,0]=4 2508 B12R2.24 c1cc2c(cc1Br)CCCO2 TS21450 [0,1,0,1,0,0|2,0,0]=4 2509 B12R2.24 c1cc2c(cc1Br)NCCO2 TS28106 [0,1,0,1,0,0|2,0,0]=4 2510 B12R2.24 c1cc2c(cc1Br)OCCO2 TS55535 [0,1,0,1,0,0|1,0,0]=3 2511 B12R2.24 c1cc2c(cc1Br)OCOC2 TS44635 [0,1,0,1,0,0|1,0,0]=3 2512 B12R2.24 c1cc2c(cc1Cl)NCCO2 TS20095 [0,1,0,1,0,0|2,0,0]=4 2513 B12R2.24 c1cc2c(cc1F)NCCO2 TS46567 [0,1,0,1,0,0|2,0,0]=4 2514 B12R2.24 c1cc2c(cc1I)OCCO2 TS29737 [0,1,0,1,0,0|1,0,0]=3 2515 B12R2.24 c1cc2c(cc1N)OCCO2 TS39221 [0,1,0,1,0,0|1,0,0]=3 2516 B12R2.24 c1cc2c(cc1O)OCCO2 TS40005 [0,1,0,1,0,0|1,0,0]=3 2517 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 TS55624 [0,1,0,1,0,0|2,0,0]=4 2518 B12R2.132 Cc1ccc2c(c1)c(cs2)C TS11617 [0,1,0,1,0,0|1,1,0]=4 2519 B12R2.132 Cc1ccc2c(c1)c(no2)C TS07348 [0,1,0,1,0,0|1,0,0]=3 2520 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 TS55555 [0,1,0,1,0,0|2,0,0]=4 2521 B12R2.132 c1cc2c(cc1Br)C(CO2)N TS94367 [0,1,0,1,0,0|2,0,0]=4 2522 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 TS71510 [0,1,0,1,0,0|2,0,0]=4 2523 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS12727 [0,1,0,1,0,0|2,0,0]=4 2524 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS20097 [0,1,0,1,0,0|2,0,0]=4 2525 B12R2.132 c1cc2c(cc1F)C(=O)CO2 TS32992 [0,1,0,1,0,0|2,0,0]=4 2526 B12R2.132 c1cc2c(cc1I)C(=O)CO2 TS71576 [0,1,0,1,0,0|2,0,0]=4 2527 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|1,0,1]=4 2528 B12R2.612 Cc1ccc2c(c1)[nH]nc2O TS40615 [0,1,0,1,0,0|2,0,0]=4 2529 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,1,0,1,0,0|2,0,0]=4 2530 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,1,0,1,0,0|1,0,1]=4 2531 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,1,0,1,0,0|1,0,1]=4 2532 B12R2.612 c1cc2c(cc1Cl)onc2O TS85119 [0,1,0,1,0,0|2,0,0]=4 2533 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,1,0,1,0,0|1,0,1]=4 2534 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,1,0,1,0,0|1,0,1]=4 2535 B12R2.221 Cc1ccc(c2c1CC=C2)C TS07007 [0,1,0,1,0,0|2,0,0]=4 2536 B12R2.221 Cc1ccc(c2c1CCC2)O TS07458 [0,1,0,1,0,0|1,0,0]=3 2537 B12R2.221 Cc1ccc(c2c1cco2)Br TS21067 [0,1,0,1,0,0|1,0,1]=4 2538 B12R2.221 c1cc(c2c(c1O)CCC2)Cl TS12616 [0,1,0,1,0,0|2,0,0]=4 2539 B12R2.606 Cc1cc2cc(ccc2o1)I TS68076 [0,1,0,1,0,0|2,0,0]=4 2540 B12R2.606 Cc1cc2cc(ccc2o1)N TS07331 [0,1,0,1,0,0|2,0,0]=4 2541 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 TS40723 [0,1,0,1,0,0|1,0,1]=4 2542 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C TS47275 [0,1,0,1,0,0|2,0,0]=4 2543 B12R2.606 Cc1ccc2c(c1)cc(s2)C TS11615 [0,1,0,1,0,0|1,1,0]=4 2544 B12R2.606 Cc1ccc2c(c1)nc([nH]2)C TS40430 [0,1,0,1,0,0|2,0,0]=4 2545 B12R2.606 Cc1ccc2c(c1)nc([se]2)C TS43742 [0,1,0,1,0,0|1,1,0]=4 2546 B12R2.606 Cc1ccc2c(c1)nc(o2)C TS40520 [0,1,0,1,0,0|1,0,0]=3 2547 B12R2.606 Cc1ccc2c(c1)nc(o2)S TS42919 [0,1,0,1,0,0|1,0,1]=4 2548 B12R2.606 Cc1ccc2c(c1)sc(n2)C TS11740 [0,1,0,1,0,0|1,1,0]=4 2549 B12R2.606 Cc1ccc2cc(sc2c1)C TS77504 [0,1,0,1,0,0|1,1,0]=4 2550 B12R2.606 Cc1nc2cc(ccc2o1)Cl TS43275 [0,1,0,1,0,0|2,0,0]=4 2551 B12R2.606 Cc1nc2cc(ccc2o1)N TS40623 [0,1,0,1,0,0|2,0,0]=4 2552 B12R2.606 Cc1nc2cc(ccc2o1)O TS40718 [0,1,0,1,0,0|2,0,0]=4 2553 B12R2.606 Cc1nc2ccc(cc2o1)Cl TS43270 [0,1,0,1,0,0|2,0,0]=4 2554 B12R2.606 Cc1nc2ccc(cc2o1)N TS55441 [0,1,0,1,0,0|2,0,0]=4 2555 B12R2.100 c1c(c(cc2c1OCO2)N)N TS23944 [0,1,0,1,0,0|1,0,0]=3 2556 B12R2.100 c1c(c(cc2c1OCO2)N)N TS41104 [0,1,0,1,0,0|1,0,0]=3 2557 B12R2.100 c1c(c(cc2c1OCO2)O)O TS10389 [0,1,0,1,0,0|1,0,0]=3 2558 B12R2.100 c1c2c(cc(c1Cl)Cl)OCO2 TS17218 [0,1,0,1,0,0|1,0,0]=3 2559 B12R2.100 c1c2c(cc(c1I)I)OCO2 TS66957 [0,1,0,1,0,0|1,0,0]=3 2560 B12R2.44 C#Cc1ccc2c(c1)OCO2 TS07169 [0,1,0,1,0,0|0,0,1]=3 2561 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [0,1,0,1,0,0|2,0,0]=4 2562 B12R2.44 COc1ccc2c(c1)CCN2 TS71586 [0,1,0,1,0,0|2,0,0]=4 2563 B12R2.44 COc1ccc2c(c1)NCC2 TS01254 [0,1,0,1,0,0|2,0,0]=4 2564 B12R2.44 COc1ccc2c(c1)NCC2 TS65173 [0,1,0,1,0,0|2,0,0]=4 2565 B12R2.44 COc1ccc2c(c1)cco2 TS01139 [0,1,0,1,0,0|1,0,1]=4 2566 B12R2.44 CSc1ccc2c(c1)CCN2 TS32983 [0,1,0,1,0,0|2,0,0]=4 2567 B12R2.44 c1cc2c(cc1C#N)CCO2 TS07080 [0,1,0,1,0,0|1,0,1]=4 2568 B12R2.44 c1cc2c(cc1C#N)OCO2 TS07298 [0,1,0,1,0,0|0,0,1]=3 2569 B12R2.44 c1cc2c(cc1C=O)CCO2 TS00573 [0,1,0,1,0,0|1,0,1]=4 2570 B12R2.44 c1cc2c(cc1C=O)OCO2 TS39812 [0,1,0,1,0,0|0,0,1]=3 2571 B12R2.44 c1cc2c(cc1CCl)CCO2 TS12611 [0,1,0,1,0,0|1,0,0]=3 2572 B12R2.44 c1cc2c(cc1CCl)OCO2 TS12912 [0,1,0,1,0,0|0,0,0]=2 2573 B12R2.44 c1cc2c(cc1CN)OCO2 TS41008 [0,1,0,1,0,0|0,0,0]=2 2574 B12R2.44 c1cc2c(cc1CO)CCO2 TS09874 [0,1,0,1,0,0|1,0,0]=3 2575 B12R2.44 c1cc2c(cc1CO)OCO2 TS10142 [0,1,0,1,0,0|0,0,0]=2 2576 B12R2.44 c1cc2c(cc1[Mg]Br)OCO2 TS52204 [0,1,0,1,0,0|1,0,0]=3 2577 B12R2.44 c1cc2c(cco2)cc1CN TS00401 [0,1,0,1,0,0|1,0,1]=4 2578 B12R2.44 c1cc2c(cco2)cc1CO TS07418 [0,1,0,1,0,0|1,0,1]=4 2579 B8R1.1 CCC1=CCC(=C1)C TS04143 [1,0,0,0,1,0|1,0,1]=4 2580 B8R1.1 CCc1ccc(s1)C TS36173 [1,0,0,0,1,0|2,0,0]=4 2581 B8R1.1 Cc1ncc(s1)OC TS05467 [1,0,0,0,1,0|2,0,0]=4 2582 B8R1.11 Cc1c(cco1)SC TS36315 [1,0,0,0,1,0|1,1,0]=4 2583 B8R1.18 Cc1cc(c(o1)C)S TS36314 [1,0,0,0,1,0|1,1,0]=4 2584 B8R1.18 Cc1cc(sc1C)C TS36170 [1,0,0,0,1,0|2,0,0]=4 2585 B8R1.50 Cc1ccc(n1C)C TS31807 [1,0,0,0,1,0|2,0,0]=4