0 B11R1.280 CCc1cc(ccc1N)C#N TS70879 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 CCc1ccc(c(c1)C=O)O TS65157 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.280 CCc1ccc(c(c1)CC)C TS40685 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.280 CNc1ccc(c(n1)OC)N TS10321 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.280 COc1cc(c(nc1)N)OC TS10430 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.280 COc1cc(ccc1F)C#N TS71118 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.280 COc1cc(ccc1F)C=O TS02813 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.280 COc1cc(ccc1F)CBr TS60401 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.280 COc1cc(ccc1F)CCl TS13590 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.280 COc1cc(ccc1F)CO TS41605 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.280 COc1cc(ccc1O)C#N TS03114 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.280 COc1cc(ccc1O)C=C TS40861 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.280 COc1cc(ccc1O)C=O TS02812 [0,0,0,0,0,0|0,0,2]=2 14 B11R1.280 COc1cc(ccc1O)CN TS16249 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.280 COc1cc(ccc1O)CO TS10411 [0,0,0,0,0,0|0,0,0]=0 16 B11R1.280 COc1cc(ncc1N)OC TS10429 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.280 COc1ccc(c(c1)C#N)O TS07543 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.280 COc1ccc(c(c1)C=O)O TS10130 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [0,0,0,0,0,0|2,1,0]=3 26 B11R1.280 COc1ccc(c(n1)OC)N TS17198 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.280 COc1ccc(c(n1)OC)N TS65843 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [0,0,0,0,0,0|1,0,2]=3 30 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.280 c1cc(c(cc1C#N)C=O)O TS00152 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.280 c1cc(c(cc1C=O)C=O)O TS07649 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.280 c1cc(c(cc1CBr)C#N)F TS66014 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.280 c1cc(c(cc1CCl)C=O)O TS12923 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.280 c1cc(c(cc1CN)C#N)F TS09848 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.280 c1cc(c(nc1CO)CO)O TS10564 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.30 CCc1cc(ccc1I)Br TS76460 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.30 CCc1cc(ccc1N)Br TS25964 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.30 CCc1cc(ccc1N)Br TS37843 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.30 CCc1cc(ccc1N)I TS27559 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [1,0,0,0,0,0|0,0,2]=3 47 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.30 COc1cc(ccc1Br)F TS65379 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.30 COc1cc(ccc1Br)I TS01774 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.30 COc1cc(ccc1Br)N TS00018 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.30 COc1cc(ccc1Br)O TS00019 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.30 COc1cc(ccc1Cl)F TS09281 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.30 COc1cc(ccc1Cl)N TS10907 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.30 COc1cc(ccc1F)Br TS19895 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.30 COc1cc(ccc1F)F TS65344 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.30 COc1cc(ccc1N)Br TS70959 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.30 COc1cc(ccc1N)F TS93806 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.30 COc1cc(ccc1N)N TS56779 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.30 COc1cc(ccc1O)F TS37549 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.30 COc1cc(ccc1O)O TS37335 [1,0,0,0,0,0|0,0,0]=1 65 B10R1.30 COc1cc(cnc1Br)Cl TS23560 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.30 COc1cc(cnc1N)Br TS38378 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.30 Cc1ccc(c(c1)C#N)F TS01008 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.30 Cc1ccc(c(c1)C#N)N TS47441 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,0,0,0,0,0|0,0,0]=1 87 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.30 Cc1ncc(c(n1)OC)N TS71203 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.30 c1cc(c(cc1N)C#N)O TS36814 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.30 c1cc(c(cc1O)C#N)F TS39661 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.30 c1cc(c(cc1O)C=O)Br TS08344 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.30 c1cc(c(cc1O)C=O)F TS00999 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.172 CCc1cc(cnc1)CC TS36963 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.172 CCc1cccc(c1)C#N TS00148 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.172 CCc1cccc(c1)C=O TS36830 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.172 CCc1cccc(c1)NN TS13273 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.172 CCc1cccc(n1)CO TS46566 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.172 CNc1cccc(c1)OC TS37104 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.172 CNc1cccc(n1)OC TS37198 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.172 COc1cc(ccn1)C#N TS36820 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.172 COc1cc(ccn1)C=O TS55432 [1,0,0,0,0,0|1,0,2]=4 120 B10R1.172 COc1cc(ccn1)CN TS86154 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.172 COc1cc(ccn1)CO TS86056 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.172 COc1cc(cnc1)C=O TS37089 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.172 COc1cc(cnc1)CN TS92215 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.172 COc1cc(cnc1)CO TS86006 [1,0,0,0,0,0|1,0,0]=2 125 B10R1.172 COc1cc(cnc1)OC TS02599 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.172 COc1cc(ncn1)CN TS90796 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.172 COc1cccc(c1)C#C TS36666 [1,0,0,0,0,0|1,0,1]=3 128 B10R1.172 COc1cccc(c1)C#N TS39448 [1,0,0,0,0,0|1,0,1]=3 129 B10R1.172 COc1cccc(c1)C=O TS02819 [1,0,0,0,0,0|0,0,2]=3 130 B10R1.172 COc1cccc(c1)CBr TS38037 [1,0,0,0,0,0|1,0,0]=2 131 B10R1.172 COc1cccc(c1)CCl TS39449 [1,0,0,0,0,0|1,0,0]=2 132 B10R1.172 COc1cccc(c1)CN TS60017 [1,0,0,0,0,0|1,0,0]=2 133 B10R1.172 COc1cccc(c1)CO TS39311 [1,0,0,0,0,0|0,0,0]=1 134 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [1,0,0,0,0,0|1,0,0]=2 135 B10R1.172 COc1cccc(c1)NN TS02825 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.172 COc1cccc(c1)OC TS46804 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.172 COc1cccc(c1)SC TS41406 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.172 COc1cccc(n1)C#N TS36815 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.172 COc1cccc(n1)C=O TS01259 [1,0,0,0,0,0|1,0,2]=4 141 B10R1.172 COc1cccc(n1)CN TS46568 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.172 COc1cccc(n1)CO TS06371 [1,0,0,0,0,0|1,0,0]=2 143 B10R1.172 COc1cccc(n1)OC TS65016 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.172 COc1ccnc(c1)CO TS46547 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.172 COc1ccnc(c1)OC TS06363 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.172 COc1nccc(n1)CN TS87069 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.172 COc1nccc(n1)CO TS89082 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.172 c1c(cncc1C#N)CO TS36821 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.172 c1c(cncc1CO)CO TS06362 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.172 c1cc(cc(c1)C#N)CBr TS02725 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.172 c1cc(cc(c1)C#N)CCl TS00144 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.172 c1cc(cc(c1)C#N)CN TS02724 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.172 c1cc(cc(c1)C#N)CN TS12626 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.172 c1cc(cc(c1)C#N)C[Zn+] TS29700 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.172 c1cc(cc(c1)CBr)CBr TS29983 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.172 c1cc(cc(c1)CBr)CO TS38049 [1,0,0,0,0,0|2,0,0]=3 158 B10R1.172 c1cc(cc(c1)CCl)CCl TS13623 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.172 c1cc(cc(c1)CN)CN TS39703 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.172 c1cc(cc(c1)CO)CO TS06249 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.172 c1cc(cc(c1)CS)CS TS12898 [1,0,0,0,0,0|2,1,0]=4 162 B10R1.172 c1cc(nc(c1)C#N)CO TS36812 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.172 c1cc(nc(c1)CBr)CO TS38193 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.172 c1cc(nc(c1)CO)CN TS37187 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.172 c1cc(nc(c1)CO)CO TS00714 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.172 c1cc(nc(c1)CO)CO TS13759 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.172 c1cnc(cc1CO)C#N TS36809 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.176 C1C(=NC=C(C1=O)O)CO TS37471 [1,0,0,0,0,0|1,0,2]=4 169 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,0,0,0,0,0|1,0,0]=2 173 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.176 COc1ccc(c(c1)F)O TS55337 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.176 COc1ccc(c(c1)N)O TS08806 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.176 COc1ccc(c(c1)O)N TS13758 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,0,0,0,0,0|1,0,2]=4 184 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [1,0,0,0,0,0|2,0,1]=4 187 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,0,0,0,0,0|1,0,2]=4 189 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.176 Cc1cc(ccc1F)CN TS39504 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,0,0,0,0,0|1,0,0]=2 192 B10R1.176 Cc1cc(ccc1F)OC TS60402 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.176 Cc1cc(ccc1N)OC TS71202 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.176 Cc1cc(cnc1Cl)CO TS10913 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [1,0,0,0,0,0|2,0,1]=4 197 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,0,0,0,0,0|1,0,2]=4 198 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,0,0,0,0,0|2,0,0]=3 199 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,0,0,0,0,0|1,0,0]=2 201 B10R1.176 Cc1ccc(cc1C)NN TS13274 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.176 Cc1ccc(cc1F)CN TS65517 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.176 Cc1ccc(cc1F)CO TS06453 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,0,0,0,0,0|1,0,2]=4 211 B10R1.176 Cn1cc(ccc1=O)CN TS86810 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.176 Cn1cc(ccc1=O)CO TS88694 [1,0,0,0,0,0|1,0,1]=3 213 B10R1.176 Cn1ccc(cc1=O)CO TS87554 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.176 c1c(cnc(c1Cl)Cl)CO TS46361 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.176 c1c(ncc(c1Cl)F)CO TS88580 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.176 c1c(occ(c1=O)O)CO TS06646 [1,0,0,0,0,0|1,0,1]=3 217 B10R1.176 c1c(occ(c1=O)O)CO TS42677 [1,0,0,0,0,0|1,0,1]=3 218 B10R1.176 c1cc(c(cc1C#N)Br)O TS01840 [1,0,0,0,0,0|2,0,1]=4 219 B10R1.176 c1cc(c(cc1C#N)Cl)O TS02694 [1,0,0,0,0,0|2,0,1]=4 220 B10R1.176 c1cc(c(cc1C#N)F)O TS65508 [1,0,0,0,0,0|2,0,1]=4 221 B10R1.176 c1cc(c(cc1C#N)N)O TS60259 [1,0,0,0,0,0|2,0,1]=4 222 B10R1.176 c1cc(c(cc1C#N)O)F TS39501 [1,0,0,0,0,0|2,0,1]=4 223 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [1,0,0,0,0,0|1,0,1]=3 224 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [1,0,0,0,0,0|1,0,2]=4 225 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [1,0,0,0,0,0|1,0,2]=4 226 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [1,0,0,0,0,0|1,0,2]=4 227 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [1,0,0,0,0,0|1,0,2]=4 228 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [1,0,0,0,0,0|1,0,2]=4 229 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [1,0,0,0,0,0|0,0,2]=3 230 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [1,0,0,0,0,0|2,0,0]=3 240 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [1,0,0,0,0,0|1,0,0]=2 245 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [1,0,0,0,0,0|1,0,0]=2 246 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [1,0,0,0,0,0|1,0,0]=2 247 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [1,0,0,0,0,0|2,0,0]=3 251 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [1,0,0,0,0,0|2,0,0]=3 252 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [1,0,0,0,0,0|1,0,0]=2 253 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,0,0,0,0,0|0,0,0]=1 254 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [1,0,0,0,0,0|2,1,0]=4 255 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [1,0,0,0,0,0|3,0,0]=4 256 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O TS46468 [0,1,0,0,0,0|2,0,0]=3 257 B12R1.56 B(c1ccc(c(c1)OC)Cl)(O)O TS85493 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O TS07663 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [0,1,0,0,0,0|1,0,2]=4 260 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [0,1,0,0,0,0|1,0,2]=4 261 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [0,1,0,0,0,0|0,0,2]=3 262 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [0,1,0,0,0,0|0,0,0]=1 263 B12R1.56 CCc1cc(ccc1F)C(=O)O TS44846 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [0,1,0,0,0,0|1,0,1]=3 265 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] TS55131 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [0,1,0,0,0,0|1,0,1]=3 267 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] TS00919 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [0,1,0,0,0,0|1,0,1]=3 269 B12R1.56 COc1cc(ccc1F)N(=O)=O TS01012 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] TS09307 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [0,1,0,0,0,0|1,0,1]=3 272 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] TS09310 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [0,1,0,0,0,0|0,0,1]=2 274 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [0,1,0,0,0,0|0,0,2]=3 275 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS01094 [0,1,0,0,0,0|1,0,1]=3 276 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS17237 [0,1,0,0,0,0|1,0,1]=3 277 B12R1.56 COc1cc(cnc1O)[N+](=O)[O-] TS65096 [0,1,0,0,0,0|2,0,1]=4 278 B12R1.56 C[C@@H](c1ccc(c(c1)OC)F)N TS12686 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.56 Cc1ccc(cc1OC)C(=O)N TS12003 [0,1,0,0,0,0|1,0,2]=4 280 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [0,1,0,0,0,0|1,0,1]=3 281 B12R1.56 Cc1ccc(cc1OC)[N+](=O)[O-] TS39679 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.56 c1cc(c(cc1C(=O)O)C=O)O TS12140 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.78 CCc1ccc(c(c1)CC)CC TS42509 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.78 COc1cc(ccc1C=O)C#N TS32964 [0,1,0,0,0,0|1,0,2]=4 285 B12R1.78 COc1cc(ccc1CBr)C#N TS24110 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.78 COc1cc(ccc1SC)C=O TS15004 [0,1,0,0,0,0|0,1,2]=4 287 B12R1.78 COc1ccc(c(c1)OC)C#N TS42561 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.78 COc1ccc(c(c1)OC)C=O TS22990 [0,1,0,0,0,0|2,0,1]=4 289 B12R1.78 COc1ccc(c(c1)OC)CN TS47233 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.78 COc1ccc(c(c1)OC)CN TS47270 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.78 COc1ccc(c(c1)OC)CO TS47232 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.78 COc1ccc(c(c1)OC)OC TS12521 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.78 COc1ccc(c(c1)OC)[Mg]Br TS57586 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.78 COc1ccc(c(c1)OC)[N+]#[C-] TS11685 [0,1,0,0,0,0|3,0,0]=4 295 B12R1.78 COc1ccc(cc1OC)C#C TS11536 [0,1,0,0,0,0|1,0,1]=3 296 B12R1.78 COc1ccc(cc1OC)C=C TS11888 [0,1,0,0,0,0|1,0,1]=3 297 B12R1.78 COc1ccc(cc1OC)C=O TS60325 [0,1,0,0,0,0|0,0,2]=3 298 B12R1.78 COc1ccc(cc1OC)CBr TS25019 [0,1,0,0,0,0|1,0,0]=2 299 B12R1.78 COc1ccc(cc1OC)CCl TS49007 [0,1,0,0,0,0|1,0,0]=2 300 B12R1.78 COc1ccc(cc1OC)CN TS38506 [0,1,0,0,0,0|1,0,0]=2 301 B12R1.78 COc1ccc(cc1OC)CN TS43248 [0,1,0,0,0,0|1,0,0]=2 302 B12R1.78 COc1ccc(cc1OC)CO TS44868 [0,1,0,0,0,0|0,0,0]=1 303 B12R1.78 COc1ccc(cc1OC)NN TS19879 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.78 COc1ccc(cc1OC)SC TS48595 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.78 COc1ccc(cc1OC)[Mg]Br TS57585 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.78 COc1ccc(cc1OC)[N+]#[C-] TS42575 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.270 CCOc1cc(ccc1Br)C#N TS24114 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.270 CCOc1cc(ccc1O)C=O TS12168 [0,1,0,0,0,0|0,0,2]=3 309 B12R1.270 CCOc1cc(ccc1O)CN TS43244 [0,1,0,0,0,0|1,0,0]=2 310 B12R1.270 CCOc1cc(ccc1O)CO TS12528 [0,1,0,0,0,0|0,0,0]=1 311 B12R1.286 CC=Cc1ccc(c(c1)OC)O TS11885 [0,1,0,0,0,0|1,0,1]=3 312 B12R1.286 CCCc1ccc(c(c1)OC)O TS12255 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.286 COc1cc(ccc1F)CC#N TS42878 [0,1,0,0,0,0|2,0,0]=3 314 B12R1.286 COc1cc(ccc1O)C=NO TS43214 [0,1,0,0,0,0|0,0,1]=2 315 B12R1.286 COc1cc(ccc1O)CC#N TS11709 [0,1,0,0,0,0|1,0,0]=2 316 B12R1.286 COc1cc(ccc1O)CC=C TS11869 [0,1,0,0,0,0|1,0,0]=2 317 B12R1.286 COc1cc(ccc1O)CCN TS22775 [0,1,0,0,0,0|1,0,0]=2 318 B12R1.286 COc1cc(ccc1O)CCN TS22835 [0,1,0,0,0,0|1,0,0]=2 319 B12R1.286 COc1cc(ccc1O)CCO TS03115 [0,1,0,0,0,0|0,0,0]=1 320 B12R1.286 Cc1ccc(cc1OC)CC#N TS60016 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.300 COc1cc(c(c(c1)F)Br)OC TS25678 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.300 COc1cc(cc(c1O)Br)C=O TS60335 [0,1,0,0,0,0|0,0,2]=3 323 B12R1.300 COc1cc(cc(c1O)Cl)C=O TS15712 [0,1,0,0,0,0|0,0,2]=3 324 B12R1.300 COc1cc(cc(c1O)Cl)CO TS16088 [0,1,0,0,0,0|0,0,0]=1 325 B12R1.300 COc1cc(cc(c1O)F)C=O TS85082 [0,1,0,0,0,0|0,0,2]=3 326 B12R1.300 COc1cc(cc(c1O)I)C=O TS33986 [0,1,0,0,0,0|0,0,2]=3 327 B12R1.300 COc1cc(cc(c1O)I)CO TS54296 [0,1,0,0,0,0|0,0,0]=1 328 B12R1.300 COc1cc(cc(c1O)O)C=O TS44818 [0,1,0,0,0,0|0,0,2]=3 329 B12R1.300 Cc1cc(cc(c1O)OC)C#N TS85848 [0,1,0,0,0,0|1,0,1]=3 330 B12R1.300 c1c(oc(c(c1=O)O)CO)CO TS13114 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.449 COc1cc(c(cc1Br)Br)OC TS35851 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.449 COc1cc(c(cc1Cl)F)C=O TS16080 [0,1,0,0,0,0|1,0,2]=4 333 B12R1.449 COc1cc(c(cc1N)Cl)OC TS15878 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.449 COc1cc(c(cc1O)Br)C=O TS08323 [0,1,0,0,0,0|0,0,2]=3 335 B12R1.453 B(c1cc(ccc1Cl)CO)(O)O TS48980 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.453 B(c1cc(ccc1F)CO)(O)O TS46403 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.453 CC(=O)c1cc(ccc1O)C#N TS08802 [0,1,0,0,0,0|2,0,1]=4 338 B12R1.453 CC(=O)c1cc(ccc1O)OC TS01830 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.453 CC(C)c1cc(ccc1F)CN TS32836 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.453 CCc1ccc(c(c1)C(=O)C)O TS42737 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])CO TS12372 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.453 c1cc(c(cc1CN)C(=O)O)O TS71380 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.453 c1cc(c(cc1CO)[N+](=O)[O-])Cl TS50611 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.453 c1cc(c(cc1CO)[N+](=O)[O-])F TS60404 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.453 c1cc(c(cc1CO)[N+](=O)[O-])O TS12647 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.654 COc1c(ccc(c1F)C#N)F TS02126 [0,1,0,0,0,0|2,0,1]=4 347 B12R1.654 Cc1cnc(c(c1OC)C)CCl TS86924 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.654 Cc1cnc(c(c1OC)C)CO TS71210 [0,1,0,0,0,0|2,0,0]=3 349 B12R2.44 C#Cc1ccc2c(c1)OCO2 TS07169 [0,0,0,1,0,0|1,0,1]=3 350 B12R2.44 c1cc(cc2c1cc[nH]2)CO TS07327 [0,0,0,1,0,0|2,0,1]=4 351 B12R2.44 c1cc2c(cc1C#N)CCO2 TS07080 [0,0,0,1,0,0|2,0,1]=4 352 B12R2.44 c1cc2c(cc1C#N)OCO2 TS07298 [0,0,0,1,0,0|1,0,1]=3 353 B12R2.44 c1cc2c(cc1C=O)CCO2 TS00573 [0,0,0,1,0,0|1,0,2]=4 354 B12R2.44 c1cc2c(cc1C=O)OCO2 TS39812 [0,0,0,1,0,0|0,0,2]=3 355 B12R2.44 c1cc2c(cc1CCl)CCO2 TS12611 [0,0,0,1,0,0|2,0,0]=3 356 B12R2.44 c1cc2c(cc1CCl)OCO2 TS12912 [0,0,0,1,0,0|1,0,0]=2 357 B12R2.44 c1cc2c(cc1CN)OCO2 TS41008 [0,0,0,1,0,0|1,0,0]=2 358 B12R2.44 c1cc2c(cc1CO)CCO2 TS09874 [0,0,0,1,0,0|1,0,0]=2 359 B12R2.44 c1cc2c(cc1CO)OCO2 TS10142 [0,0,0,1,0,0|0,0,0]=1 360 B12R2.44 c1cc2c(cc1CO)cn[nH]2 TS40631 [0,0,0,1,0,0|3,0,0]=4 361 B12R2.44 c1cc2c(cc1CO)nc[nH]2 TS40612 [0,0,0,1,0,0|2,0,1]=4 362 B12R2.44 c1cc2c(cc1CO)nn[nH]2 TS07552 [0,0,0,1,0,0|3,0,0]=4 363 B12R2.44 c1cc2c(cc1CO)non2 TS40820 [0,0,0,1,0,0|3,0,0]=4 364 B12R2.44 c1cc2c(cc1CO)nsn2 TS39246 [0,0,0,1,0,0|3,0,0]=4 365 B12R2.44 c1cc2c(cc1CO)scn2 TS42920 [0,0,0,1,0,0|1,1,1]=4 366 B12R2.44 c1cc2c(cc1[Mg]Br)OCO2 TS52204 [0,0,0,1,0,0|2,0,0]=3 367 B12R2.44 c1cc2c(cc[nH]2)cc1CO TS01497 [0,0,0,1,0,0|2,0,1]=4 368 B12R2.44 c1cc2c(cco2)cc1CN TS00401 [0,0,0,1,0,0|2,0,1]=4 369 B12R2.44 c1cc2c(cco2)cc1CO TS07418 [0,0,0,1,0,0|1,0,1]=3 370 B12R2.44 c1cc2c(ccs2)cc1CO TS11912 [0,0,0,1,0,0|1,1,1]=4 371 B12R2.44 c1cc2cn[nH]c2cc1CO TS86005 [0,0,0,1,0,0|3,0,0]=4 372 B9R1.2 C#Cc1cccc(c1)O TS32329 [2,0,0,0,0,0|1,0,1]=4 373 B9R1.2 CC[n+]1cccc(c1)O TS38523 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.2 CCc1cccc(c1)Br TS32764 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.2 CCc1cccc(c1)C TS04835 [2,0,0,0,0,0|1,0,0]=3 376 B9R1.2 CCc1cccc(c1)N TS32463 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.2 CCc1cccc(c1)O TS04895 [2,0,0,0,0,0|1,0,0]=3 378 B9R1.2 CCc1cccc(n1)C TS32466 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.2 CCc1ccnc(c1)C TS32469 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.2 CNc1cccc(c1)Br TS48829 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.2 CNc1cccc(c1)Cl TS37535 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.2 CNc1cccc(c1)F TS70598 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.2 COc1cc(ccn1)Cl TS03053 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.2 COc1cc(ccn1)F TS05258 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.2 COc1cc(ccn1)I TS71184 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.2 COc1cc(ccn1)N TS02966 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.2 COc1cc(cnc1)Br TS65932 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.2 COc1cc(cnc1)Cl TS06905 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.2 COc1cc(cnc1)I TS25666 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.2 COc1cc(cnc1)N TS55470 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.2 COc1cc(cnc1)N TS89352 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.2 COc1cc(cnc1)O TS55469 [2,0,0,0,0,0|1,0,0]=3 393 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [2,0,0,0,0,0|1,0,1]=4 394 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [2,0,0,0,0,0|1,0,1]=4 395 B9R1.2 COc1cccc(c1)Br TS00028 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.2 COc1cccc(c1)Cl TS37686 [2,0,0,0,0,0|1,0,0]=3 397 B9R1.2 COc1cccc(c1)F TS70591 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.2 COc1cccc(c1)I TS39445 [2,0,0,0,0,0|1,0,0]=3 399 B9R1.2 COc1cccc(c1)N TS02081 [2,0,0,0,0,0|1,0,0]=3 400 B9R1.2 COc1cccc(c1)N TS11191 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.2 COc1cccc(c1)O TS39714 [2,0,0,0,0,0|0,0,0]=2 402 B9R1.2 COc1cccc(c1)S TS70650 [2,0,0,0,0,0|0,1,0]=3 403 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [2,0,0,0,0,0|1,0,0]=3 404 B9R1.2 COc1cccc(n1)Br TS08366 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.2 COc1cccc(n1)Cl TS55270 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.2 COc1cccc(n1)I TS56597 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.2 COc1cccc(n1)O TS05074 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.2 COc1ccnc(c1)Br TS08328 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.2 COc1ccnc(c1)Cl TS55226 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.2 COc1ccnc(c1)N TS47406 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.2 CSc1cccc(c1)Br TS60340 [2,0,0,0,0,0|1,1,0]=4 412 B9R1.2 CSc1cccc(c1)Cl TS42003 [2,0,0,0,0,0|1,1,0]=4 413 B9R1.2 CSc1cccc(c1)F TS60012 [2,0,0,0,0,0|1,1,0]=4 414 B9R1.2 CSc1cccc(c1)I TS27987 [2,0,0,0,0,0|1,1,0]=4 415 B9R1.2 CSc1cccc(c1)N TS02674 [2,0,0,0,0,0|1,1,0]=4 416 B9R1.2 Cc1cc(cnc1)CCl TS46377 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.2 Cc1cc(cnc1)CO TS04972 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.2 Cc1cc(cnc1)OC TS04960 [2,0,0,0,0,0|1,0,0]=3 419 B9R1.2 Cc1cc(ncn1)CO TS85804 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.2 Cc1cccc(c1)C#C TS32229 [2,0,0,0,0,0|1,0,1]=4 421 B9R1.2 Cc1cccc(c1)C#N TS02843 [2,0,0,0,0,0|1,0,1]=4 422 B9R1.2 Cc1cccc(c1)C=C TS70680 [2,0,0,0,0,0|1,0,1]=4 423 B9R1.2 Cc1cccc(c1)CBr TS00037 [2,0,0,0,0,0|1,0,0]=3 424 B9R1.2 Cc1cccc(c1)CCl TS37460 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.2 Cc1cccc(c1)CN TS04866 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.2 Cc1cccc(c1)CO TS04903 [2,0,0,0,0,0|0,0,0]=2 427 B9R1.2 Cc1cccc(c1)CS TS06306 [2,0,0,0,0,0|0,1,0]=3 428 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [2,0,0,0,0,0|1,0,0]=3 429 B9R1.2 Cc1cccc(c1)NC TS32467 [2,0,0,0,0,0|1,0,0]=3 430 B9R1.2 Cc1cccc(c1)NN TS04918 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.2 Cc1cccc(c1)NN TS41997 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.2 Cc1cccc(c1)OC TS32509 [2,0,0,0,0,0|0,0,0]=2 433 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.2 Cc1cccc(n1)CBr TS30360 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.2 Cc1cccc(n1)CBr TS48832 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.2 Cc1cccc(n1)CCl TS46378 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.2 Cc1cccc(n1)CN TS01962 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.2 Cc1cccc(n1)CO TS04961 [2,0,0,0,0,0|1,0,0]=3 440 B9R1.2 Cc1cccc(n1)OC TS00087 [2,0,0,0,0,0|1,0,0]=3 441 B9R1.2 Cc1ccnc(c1)CN TS04912 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.2 Cc1ccnc(c1)OC TS04955 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.2 Cc1ccnc(n1)CO TS89016 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.2 c1c(cncc1Br)CO TS16995 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.2 c1c(cncc1Cl)CO TS08050 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.2 c1c(cncc1F)CO TS86069 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.2 c1c(cncc1I)CO TS56598 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.2 c1c(cncc1N)CO TS32612 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [2,0,0,0,0,0|1,0,1]=4 450 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [2,0,0,0,0,0|1,0,0]=3 455 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [2,0,0,0,0,0|1,1,0]=4 456 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [2,0,0,0,0,0|1,0,0]=3 460 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.2 c1cc(cc(c1)F)CN TS39435 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.2 c1cc(cc(c1)F)CO TS39434 [2,0,0,0,0,0|1,0,0]=3 464 B9R1.2 c1cc(cc(c1)F)CS TS06688 [2,0,0,0,0,0|1,1,0]=4 465 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.2 c1cc(cc(c1)I)CN TS53419 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.2 c1cc(cc(c1)I)CN TS73918 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.2 c1cc(cc(c1)I)CO TS53549 [2,0,0,0,0,0|1,0,0]=3 469 B9R1.2 c1cc(cc(c1)N)CN TS32516 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.2 c1cc(cc(c1)N)CO TS59603 [2,0,0,0,0,0|1,0,0]=3 471 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [2,0,0,0,0,0|1,0,1]=4 472 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [2,0,0,0,0,0|0,0,2]=4 473 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [2,0,0,0,0,0|1,0,0]=3 474 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [2,0,0,0,0,0|1,0,0]=3 475 B9R1.2 c1cc(cc(c1)O)CO TS32602 [2,0,0,0,0,0|0,0,0]=2 476 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [2,0,0,0,0,0|1,0,1]=4 477 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.2 c1cc(nc(c1)I)CO TS25668 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.2 c1cnc(cc1Br)CO TS08030 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.2 c1cnc(cc1CO)Br TS00864 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.2 c1cnc(cc1CO)Cl TS46504 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.2 c1cnc(cc1CO)F TS36210 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.2 c1cnc(cc1CO)N TS00819 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.2 c1cnc(cc1Cl)CO TS08035 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.15 C#Cc1ccccc1O TS55318 [2,0,0,0,0,0|1,0,1]=4 488 B9R1.15 CCc1ccccc1Br TS15420 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.15 CCc1ccccc1C TS16337 [2,0,0,0,0,0|2,0,0]=4 490 B9R1.15 CCc1ccccc1Cl TS37450 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.15 CCc1ccccc1I TS25157 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.15 CCc1ccccc1N TS32474 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.15 CCc1ccccc1O TS04900 [2,0,0,0,0,0|1,0,0]=3 494 B9R1.15 CCc1ccccc1S TS06304 [2,0,0,0,0,0|1,1,0]=4 495 B9R1.15 CNc1ccccc1Cl TS37531 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.15 CNc1ccccc1F TS56413 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.15 CNc1ccccc1N TS01587 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.15 CNc1ccccc1N TS41998 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.15 CNc1ccccc1N TS60152 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.15 CNc1ccccc1O TS04968 [2,0,0,0,0,0|1,0,0]=3 501 B9R1.15 COc1c(cccn1)Br TS65905 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.15 COc1c(cccn1)Cl TS65976 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.15 COc1c(cccn1)F TS36212 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.15 COc1c(cccn1)I TS02808 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.15 COc1c(cccn1)N TS02635 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.15 COc1ccccc1Br TS00023 [2,0,0,0,0,0|1,0,0]=3 507 B9R1.15 COc1ccccc1Cl TS37688 [2,0,0,0,0,0|1,0,0]=3 508 B9R1.15 COc1ccccc1F TS60288 [2,0,0,0,0,0|1,0,0]=3 509 B9R1.15 COc1ccccc1I TS09308 [2,0,0,0,0,0|1,0,0]=3 510 B9R1.15 COc1ccccc1N TS29238 [2,0,0,0,0,0|1,0,0]=3 511 B9R1.15 COc1ccccc1N TS59329 [2,0,0,0,0,0|1,0,0]=3 512 B9R1.15 COc1ccccc1P TS06425 [2,0,0,0,0,0|1,0,0]=3 513 B9R1.15 COc1ccccc1S TS37393 [2,0,0,0,0,0|0,1,0]=3 514 B9R1.15 COc1ccccc1[Zn+] TS74540 [2,0,0,0,0,0|1,0,0]=3 515 B9R1.15 COc1cccnc1Br TS08305 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.15 COc1cccnc1Cl TS55198 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.15 COc1cccnc1I TS25665 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.15 COc1cccnc1N TS47373 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.15 COc1cccnc1O TS55383 [2,0,0,0,0,0|1,0,0]=3 520 B9R1.15 COc1ccncc1Br TS09454 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.15 COc1ccncc1I TS02810 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.15 COc1ccncc1N TS65861 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.15 CSc1ccccc1Br TS19526 [2,0,0,0,0,0|1,1,0]=4 524 B9R1.15 CSc1ccccc1Cl TS42002 [2,0,0,0,0,0|1,1,0]=4 525 B9R1.15 CSc1ccccc1F TS06689 [2,0,0,0,0,0|1,1,0]=4 526 B9R1.15 CSc1ccccc1I TS27990 [2,0,0,0,0,0|1,1,0]=4 527 B9R1.15 CSc1ccccc1O TS37395 [2,0,0,0,0,0|0,1,0]=3 528 B9R1.15 CSc1ccccc1[Zn+] TS76795 [2,0,0,0,0,0|1,1,0]=4 529 B9R1.15 Cc1c(cccn1)OC TS04964 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.15 Cc1ccccc1NC TS32471 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.15 Cc1ccccc1OC TS32508 [2,0,0,0,0,0|1,0,0]=3 532 B9R1.15 Cc1cccnc1OC TS04965 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.15 c1ccc(c(c1)CN)O TS04954 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.15 c1ccc(c(c1)CO)O TS32604 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [2,0,0,0,0,0|0,0,2]=4 540 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.69 Cc1cc(ccc1Br)F TS85460 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.69 Cc1cc(ccc1Br)I TS08348 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.69 Cc1cc(ccc1Br)N TS09584 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.69 Cc1cc(ccc1Br)O TS09587 [2,0,0,0,0,0|1,0,0]=3 552 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [2,0,0,0,0,0|1,0,0]=3 558 B9R1.69 Cc1cc(ccc1F)Br TS16784 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.69 Cc1cc(ccc1F)F TS22993 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.69 Cc1cc(ccc1F)I TS65051 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.69 Cc1cc(ccc1F)N TS36056 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.69 Cc1cc(ccc1F)O TS71121 [2,0,0,0,0,0|1,0,0]=3 564 B9R1.69 Cc1cc(ccc1F)S TS06691 [2,0,0,0,0,0|1,1,0]=4 565 B9R1.69 Cc1cc(ccc1I)Br TS59717 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [2,0,0,0,0,0|2,0,0]=4 567 B9R1.69 Cc1cc(ccc1I)F TS71539 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.69 Cc1cc(ccc1I)I TS78661 [2,0,0,0,0,0|2,0,0]=4 569 B9R1.69 Cc1cc(ccc1N)Br TS23566 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.69 Cc1cc(ccc1N)Br TS93925 [2,0,0,0,0,0|2,0,0]=4 571 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [2,0,0,0,0,0|2,0,0]=4 572 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [2,0,0,0,0,0|2,0,0]=4 573 B9R1.69 Cc1cc(ccc1N)I TS71186 [2,0,0,0,0,0|2,0,0]=4 574 B9R1.69 Cc1cc(ccc1N)N TS00178 [2,0,0,0,0,0|2,0,0]=4 575 B9R1.69 Cc1cc(ccc1N)N TS17999 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.69 Cc1cc(ccc1N)N TS23083 [2,0,0,0,0,0|2,0,0]=4 577 B9R1.69 Cc1cc(ccc1N)O TS02998 [2,0,0,0,0,0|1,0,0]=3 578 B9R1.69 Cc1cc(ccc1O)Br TS01121 [2,0,0,0,0,0|1,0,0]=3 579 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [2,0,0,0,0,0|1,0,0]=3 580 B9R1.69 Cc1cc(ccc1O)F TS09704 [2,0,0,0,0,0|1,0,0]=3 581 B9R1.69 Cc1cc(ccc1O)I TS53550 [2,0,0,0,0,0|1,0,0]=3 582 B9R1.69 Cc1cc(ccc1O)N TS08867 [2,0,0,0,0,0|1,0,0]=3 583 B9R1.69 Cc1cc(ccc1O)O TS32600 [2,0,0,0,0,0|0,0,0]=2 584 B9R1.69 Cc1cc(ccc1O)S TS70667 [2,0,0,0,0,0|0,1,0]=3 585 B9R1.69 Cc1cc(cnc1Br)O TS15904 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.69 Cc1cc(cnc1O)Br TS01048 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.69 Cc1cc(cnc1O)I TS25667 [2,0,0,0,0,0|2,0,0]=4 590 B9R1.69 Cc1cc(cnc1O)N TS05009 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.69 Cc1cc(ncc1Br)O TS50643 [2,0,0,0,0,0|2,0,0]=4 592 B9R1.69 Cc1cc(nnc1O)O TS05141 [2,0,0,0,0,0|2,0,0]=4 593 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [2,0,0,0,0,0|1,0,1]=4 594 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [2,0,0,0,0,0|2,0,0]=4 595 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [2,0,0,0,0,0|2,0,0]=4 596 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [2,0,0,0,0,0|2,0,0]=4 597 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [2,0,0,0,0,0|2,0,0]=4 598 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [2,0,0,0,0,0|2,0,0]=4 599 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [2,0,0,0,0,0|2,0,0]=4 600 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [2,0,0,0,0,0|1,0,0]=3 601 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [2,0,0,0,0,0|1,1,0]=4 602 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [2,0,0,0,0,0|1,0,0]=3 603 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [2,0,0,0,0,0|1,0,0]=3 604 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [2,0,0,0,0,0|1,0,0]=3 605 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [2,0,0,0,0,0|1,0,0]=3 606 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [2,0,0,0,0,0|1,0,0]=3 607 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [2,0,0,0,0,0|1,0,0]=3 608 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [2,0,0,0,0,0|1,0,0]=3 609 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [2,0,0,0,0,0|0,0,0]=2 610 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [2,0,0,0,0,0|0,1,0]=3 611 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [2,0,0,0,0,0|0,1,0]=3 612 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [2,0,0,0,0,0|2,0,0]=4 613 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [2,0,0,0,0,0|2,0,0]=4 614 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [2,0,0,0,0,0|2,0,0]=4 615 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [2,0,0,0,0,0|2,0,0]=4 616 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [2,0,0,0,0,0|2,0,0]=4 617 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [2,0,0,0,0,0|1,0,0]=3 619 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [2,0,0,0,0,0|2,0,0]=4 620 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [2,0,0,0,0,0|2,0,0]=4 621 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [2,0,0,0,0,0|2,0,0]=4 626 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [2,0,0,0,0,0|2,0,0]=4 628 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [2,0,0,0,0,0|2,0,0]=4 629 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [2,0,0,0,0,0|2,0,0]=4 630 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [2,0,0,0,0,0|2,0,0]=4 631 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [2,0,0,0,0,0|2,0,0]=4 632 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [2,0,0,0,0,0|2,0,0]=4 633 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [2,0,0,0,0,0|2,0,0]=4 635 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [2,0,0,0,0,0|1,0,0]=3 636 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [2,0,0,0,0,0|1,0,0]=3 637 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [2,0,0,0,0,0|1,0,0]=3 638 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [2,0,0,0,0,0|1,0,0]=3 639 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [2,0,0,0,0,0|1,0,0]=3 640 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [2,0,0,0,0,0|1,0,0]=3 641 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [2,0,0,0,0,0|0,0,0]=2 642 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [2,0,0,0,0,0|1,1,0]=4 643 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [2,0,0,0,0,0|0,2,0]=4 644 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [2,0,0,0,0,0|0,2,0]=4 645 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [2,0,0,0,0,0|0,2,0]=4 646 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [2,0,0,0,0,0|2,0,0]=4 647 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [2,0,0,0,0,0|2,0,0]=4 648 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [2,0,0,0,0,0|2,0,0]=4 649 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [2,0,0,0,0,0|2,0,0]=4 650 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [2,0,0,0,0,0|1,0,0]=3 651 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [2,0,0,0,0,0|2,0,0]=4 653 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [2,0,0,0,0,0|2,0,0]=4 656 B9R1.69 Cc1ccc(cc1C)Br TS39736 [2,0,0,0,0,0|2,0,0]=4 657 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [2,0,0,0,0,0|2,0,0]=4 658 B9R1.69 Cc1ccc(cc1C)F TS65457 [2,0,0,0,0,0|2,0,0]=4 659 B9R1.69 Cc1ccc(cc1C)I TS25161 [2,0,0,0,0,0|2,0,0]=4 660 B9R1.69 Cc1ccc(cc1C)N TS32462 [2,0,0,0,0,0|2,0,0]=4 661 B9R1.69 Cc1ccc(cc1C)O TS00123 [2,0,0,0,0,0|1,0,0]=3 662 B9R1.69 Cc1ccc(cc1C)S TS06303 [2,0,0,0,0,0|1,1,0]=4 663 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [2,0,0,0,0,0|2,0,0]=4 664 B9R1.69 Cc1ccc(cc1F)O TS02758 [2,0,0,0,0,0|2,0,0]=4 665 B9R1.69 Cc1ccc(cc1N)O TS65470 [2,0,0,0,0,0|2,0,0]=4 666 B9R1.69 Cc1ccc(cc1O)Br TS09797 [2,0,0,0,0,0|2,0,0]=4 667 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [2,0,0,0,0,0|2,0,0]=4 668 B9R1.69 Cc1ccc(cc1O)F TS65133 [2,0,0,0,0,0|2,0,0]=4 669 B9R1.69 Cc1ccc(cc1O)O TS65139 [2,0,0,0,0,0|1,0,0]=3 670 B9R1.69 Cc1ccc(nc1C)C TS04872 [2,0,0,0,0,0|2,0,0]=4 671 B9R1.69 Cc1ccc(nc1C)C TS26913 [2,0,0,0,0,0|2,0,0]=4 672 B9R1.69 c1c(c(nc(n1)O)O)O TS05308 [2,0,0,0,0,0|2,0,0]=4 673 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [2,0,0,0,0,0|2,0,0]=4 675 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [2,0,0,0,0,0|2,0,0]=4 676 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [2,0,0,0,0,0|2,0,0]=4 677 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [2,0,0,0,0,0|1,0,0]=3 683 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [2,0,0,0,0,0|2,0,0]=4 684 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [2,0,0,0,0,0|2,0,0]=4 685 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [2,0,0,0,0,0|2,0,0]=4 686 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [2,0,0,0,0,0|2,0,0]=4 687 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [2,0,0,0,0,0|2,0,0]=4 688 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [2,0,0,0,0,0|2,0,0]=4 689 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [2,0,0,0,0,0|2,0,0]=4 692 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [2,0,0,0,0,0|1,0,0]=3 693 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [2,0,0,0,0,0|2,0,0]=4 695 B9R1.69 c1cc(c(cc1F)F)O TS00636 [2,0,0,0,0,0|2,0,0]=4 696 B9R1.69 c1cc(c(cc1F)N)O TS00753 [2,0,0,0,0,0|2,0,0]=4 697 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [2,0,0,0,0,0|2,0,0]=4 698 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [2,0,0,0,0,0|2,0,0]=4 699 B9R1.69 c1cc(c(cc1F)O)F TS36449 [2,0,0,0,0,0|2,0,0]=4 700 B9R1.69 c1cc(c(cc1F)O)N TS36211 [2,0,0,0,0,0|2,0,0]=4 701 B9R1.69 c1cc(c(cc1F)O)O TS39506 [2,0,0,0,0,0|1,0,0]=3 702 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [2,0,0,0,0,0|2,0,0]=4 703 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [2,0,0,0,0,0|2,0,0]=4 704 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.69 c1cc(c(cc1N)F)O TS02963 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.69 c1cc(c(cc1N)I)O TS25670 [2,0,0,0,0,0|2,0,0]=4 707 B9R1.69 c1cc(c(cc1N)N)O TS53804 [2,0,0,0,0,0|2,0,0]=4 708 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [2,0,0,0,0,0|2,0,0]=4 709 B9R1.69 c1cc(c(cc1N)O)O TS20087 [2,0,0,0,0,0|1,0,0]=3 710 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [2,0,0,0,0,0|2,0,0]=4 711 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [2,0,0,0,0,0|2,0,0]=4 712 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [2,0,0,0,0,0|1,0,0]=3 713 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [2,0,0,0,0,0|2,0,0]=4 714 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [2,0,0,0,0,0|2,0,0]=4 715 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [2,0,0,0,0,0|2,0,0]=4 716 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [2,0,0,0,0,0|1,0,0]=3 717 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [2,0,0,0,0,0|2,0,0]=4 718 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [2,0,0,0,0,0|2,0,0]=4 719 B9R1.69 c1cc(c(cc1O)F)F TS60320 [2,0,0,0,0,0|2,0,0]=4 720 B9R1.69 c1cc(c(cc1O)F)N TS42650 [2,0,0,0,0,0|2,0,0]=4 721 B9R1.69 c1cc(c(cc1O)F)N TS70881 [2,0,0,0,0,0|2,0,0]=4 722 B9R1.69 c1cc(c(cc1O)F)O TS85396 [2,0,0,0,0,0|1,0,0]=3 723 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [2,0,0,0,0,0|2,0,0]=4 724 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [2,0,0,0,0,0|2,0,0]=4 725 B9R1.69 c1cc(c(cc1O)N)F TS65858 [2,0,0,0,0,0|2,0,0]=4 726 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [2,0,0,0,0,0|1,0,0]=3 727 B9R1.69 c1cc(c(cc1O)O)F TS71140 [2,0,0,0,0,0|1,0,0]=3 728 B9R1.69 c1cc(c(cc1O)O)N TS42356 [2,0,0,0,0,0|1,0,0]=3 729 B9R1.69 c1cc(c(cc1O)O)O TS05134 [2,0,0,0,0,0|0,0,0]=2 730 B9R1.1 C#Cc1ccc(cc1)O TS71112 [2,0,0,0,0,0|1,0,1]=4 731 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|1,0,1]=4 732 B9R1.1 CCc1ccc(cc1)Br TS01944 [2,0,0,0,0,0|2,0,0]=4 733 B9R1.1 CCc1ccc(cc1)Cl TS37449 [2,0,0,0,0,0|2,0,0]=4 734 B9R1.1 CCc1ccc(cc1)F TS05030 [2,0,0,0,0,0|2,0,0]=4 735 B9R1.1 CCc1ccc(cc1)I TS25158 [2,0,0,0,0,0|2,0,0]=4 736 B9R1.1 CCc1ccc(cc1)N TS04870 [2,0,0,0,0,0|2,0,0]=4 737 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|1,0,0]=3 738 B9R1.1 CCc1ccc(cc1)S TS06298 [2,0,0,0,0,0|1,1,0]=4 739 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [2,0,0,0,0,0|2,0,0]=4 740 B9R1.1 CCc1ccc(nc1)O TS04959 [2,0,0,0,0,0|2,0,0]=4 741 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|2,0,0]=4 742 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|2,0,0]=4 743 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|2,0,0]=4 744 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|2,0,0]=4 745 B9R1.1 Cc1ccc(cc1)CBr TS03170 [2,0,0,0,0,0|2,0,0]=4 746 B9R1.1 Cc1ccc(cc1)CCl TS37455 [2,0,0,0,0,0|2,0,0]=4 747 B9R1.1 Cc1ccc(cc1)CN TS32473 [2,0,0,0,0,0|2,0,0]=4 748 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|1,0,0]=3 749 B9R1.1 Cc1ccc(cc1)CS TS06300 [2,0,0,0,0,0|1,1,0]=4 750 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [2,0,0,0,0,0|1,0,1]=4 751 B9R1.1 c1cc(ccc1C#N)O TS03063 [2,0,0,0,0,0|1,0,1]=4 752 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|0,0,2]=4 753 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|0,0,2]=4 754 B9R1.1 c1cc(ccc1CBr)Br TS09598 [2,0,0,0,0,0|2,0,0]=4 755 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [2,0,0,0,0,0|2,0,0]=4 756 B9R1.1 c1cc(ccc1CBr)F TS03088 [2,0,0,0,0,0|2,0,0]=4 757 B9R1.1 c1cc(ccc1CBr)I TS09718 [2,0,0,0,0,0|2,0,0]=4 758 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|1,0,0]=3 759 B9R1.1 c1cc(ccc1CCl)Br TS16774 [2,0,0,0,0,0|2,0,0]=4 760 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [2,0,0,0,0,0|2,0,0]=4 761 B9R1.1 c1cc(ccc1CCl)F TS07044 [2,0,0,0,0,0|2,0,0]=4 762 B9R1.1 c1cc(ccc1CN)Br TS09597 [2,0,0,0,0,0|2,0,0]=4 763 B9R1.1 c1cc(ccc1CN)Br TS60052 [2,0,0,0,0,0|2,0,0]=4 764 B9R1.1 c1cc(ccc1CN)Cl TS33154 [2,0,0,0,0,0|2,0,0]=4 765 B9R1.1 c1cc(ccc1CN)Cl TS71062 [2,0,0,0,0,0|2,0,0]=4 766 B9R1.1 c1cc(ccc1CN)F TS03087 [2,0,0,0,0,0|2,0,0]=4 767 B9R1.1 c1cc(ccc1CN)F TS42359 [2,0,0,0,0,0|2,0,0]=4 768 B9R1.1 c1cc(ccc1CN)I TS07803 [2,0,0,0,0,0|2,0,0]=4 769 B9R1.1 c1cc(ccc1CN)I TS73917 [2,0,0,0,0,0|2,0,0]=4 770 B9R1.1 c1cc(ccc1CN)N TS32510 [2,0,0,0,0,0|2,0,0]=4 771 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|1,0,0]=3 772 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|1,0,0]=3 773 B9R1.1 c1cc(ccc1CO)Br TS16773 [2,0,0,0,0,0|1,0,0]=3 774 B9R1.1 c1cc(ccc1CO)Cl TS37684 [2,0,0,0,0,0|1,0,0]=3 775 B9R1.1 c1cc(ccc1CO)F TS36109 [2,0,0,0,0,0|1,0,0]=3 776 B9R1.1 c1cc(ccc1CO)I TS02234 [2,0,0,0,0,0|1,0,0]=3 777 B9R1.1 c1cc(ccc1CO)N TS70914 [2,0,0,0,0,0|1,0,0]=3 778 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|0,0,0]=2 779 B9R1.1 c1cc(ccc1CO)S TS37388 [2,0,0,0,0,0|0,1,0]=3 780 B9R1.1 c1cc(ccc1CS)Br TS19522 [2,0,0,0,0,0|1,1,0]=4 781 B9R1.1 c1cc(ccc1CS)Cl TS42005 [2,0,0,0,0,0|1,1,0]=4 782 B9R1.1 c1cc(ccc1CS)F TS06684 [2,0,0,0,0,0|1,1,0]=4 783 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [2,0,0,0,0,0|2,0,0]=4 784 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|1,0,1]=4 785 B9R1.1 c1cc(ncc1Br)CO TS71442 [2,0,0,0,0,0|2,0,0]=4 786 B9R1.1 c1cc(ncc1CO)Br TS22929 [2,0,0,0,0,0|2,0,0]=4 787 B9R1.1 c1cc(ncc1CO)Cl TS55248 [2,0,0,0,0,0|2,0,0]=4 788 B9R1.1 c1cc(ncc1CO)F TS85126 [2,0,0,0,0,0|2,0,0]=4 789 B9R1.1 c1cc(ncc1CO)N TS46564 [2,0,0,0,0,0|2,0,0]=4 790 B9R1.1 c1cc(ncc1F)CO TS88541 [2,0,0,0,0,0|2,0,0]=4 791 B9R1.1 c1cn(=O)ccc1CO TS59701 [2,0,0,0,0,0|1,0,1]=4 792 B11R1.8 COc1cc(cc(c1Cl)F)F TS14300 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.8 COc1cc(cc(c1F)F)Br TS50250 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.8 Cc1cc(c(c(c1)Br)O)C=O TS44640 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.8 Cc1cc(c(c(c1)OC)C)C TS09917 [1,1,0,0,0,0|1,0,0]=3 796 B11R1.8 Cc1cc(cc(c1I)OC)Cl TS54569 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.8 Cc1cc(cc(c1O)OC)Br TS86158 [1,1,0,0,0,0|1,0,0]=3 798 B11R1.37 COc1cc(ccc1C#N)Br TS70958 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.37 COc1cc(ccc1C#N)F TS60398 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.37 COc1cc(ccc1C=O)F TS09700 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.37 COc1cc(ccc1C=O)O TS71152 [1,1,0,0,0,0|0,0,1]=3 802 B11R1.37 COc1cc(ccc1CCl)F TS13587 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.37 COc1cc(ccc1CO)F TS10664 [1,1,0,0,0,0|1,0,0]=3 804 B11R1.37 COc1cc(cnc1OC)Br TS49352 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.37 COc1ccc(cc1OC)Br TS09621 [1,1,0,0,0,0|1,0,0]=3 806 B11R1.37 COc1ccc(cc1OC)F TS41604 [1,1,0,0,0,0|1,0,0]=3 807 B11R1.37 COc1ccc(cc1OC)I TS68773 [1,1,0,0,0,0|1,0,0]=3 808 B11R1.37 COc1ccc(cc1OC)N TS02553 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.37 COc1ccc(cc1OC)N TS16248 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.37 COc1ccc(cc1OC)O TS65454 [1,1,0,0,0,0|0,0,0]=2 811 B11R1.37 COc1ccc(cc1OC)S TS12826 [1,1,0,0,0,0|0,1,0]=3 812 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [1,1,0,0,0,0|0,0,0]=2 813 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl TS21188 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.72 COc1c(ccc(c1Cl)F)F TS65393 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.72 COc1c(ccc(c1F)Cl)F TS14299 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.72 COc1c(ccc(c1F)F)F TS65313 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.72 COc1c(ccc(c1F)F)N TS65748 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.72 Cc1ccc(c(c1Cl)OC)F TS13599 [1,1,0,0,0,0|1,0,0]=3 819 B11R1.72 Cc1ccc(c(c1F)OC)Cl TS13588 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.72 Cc1ccc(c(c1F)OC)F TS10933 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.167 Cc1ccc(c(c1)C(C)C)O TS40907 [1,1,0,0,0,0|1,0,0]=3 832 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C TS40774 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O TS41245 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])O TS10556 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.182 CCNc1cc(ccc1C)O TS41041 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.182 CCOc1cc(ccc1N)F TS51362 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.182 CCOc1cc(ccc1O)C TS10189 [1,1,0,0,0,0|0,0,0]=2 844 B11R1.182 COCc1cc(ccc1Br)F TS22533 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.182 COCc1cc(ccc1F)Br TS22532 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.182 Cc1ccc(c(c1)CCN)C TS07614 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.182 Cc1ccc(c(c1)CCO)C TS40917 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [1,1,0,0,0,0|0,1,0]=3 849 B11R1.277 COC1=CC(=O)C(=CC1=O)O TS10384 [1,1,0,0,0,0|0,0,2]=4 850 B11R1.277 COc1cc(c(cc1Br)F)F TS50249 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl TS21185 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.277 COc1cc(c(cc1Cl)Cl)N TS00609 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.277 COc1cc(c(cc1Cl)F)Br TS39526 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.277 Cc1cc(c(cc1Br)Br)OC TS54286 [1,1,0,0,0,0|1,0,0]=3 855 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [1,1,0,0,0,0|1,0,0]=3 856 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [1,1,0,0,0,0|1,0,0]=3 857 B11R1.277 Cc1cc(c(cc1Cl)OC)N TS03050 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [1,1,0,0,0,0|1,0,0]=3 859 B11R1.277 c1c(c(cc(c1O)O)O)C=O TS10388 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.9 CCc1cc(cc(c1)Br)CC TS44300 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.9 CCc1cc(cc(c1)CC)C TS07503 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.9 COc1cc(cc(c1)Br)C#N TS09340 [1,1,0,0,0,0|1,0,1]=4 863 B11R1.9 COc1cc(cc(c1)Br)OC TS59899 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.9 COc1cc(cc(c1)Cl)C=O TS12931 [1,1,0,0,0,0|0,0,2]=4 865 B11R1.9 COc1cc(cc(c1)Cl)CBr TS25795 [1,1,0,0,0,0|1,0,0]=3 866 B11R1.9 COc1cc(cc(c1)Cl)CO TS45568 [1,1,0,0,0,0|0,0,0]=2 867 B11R1.9 COc1cc(cc(c1)Cl)OC TS09202 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.9 COc1cc(cc(c1)F)C#N TS09381 [1,1,0,0,0,0|1,0,1]=4 869 B11R1.9 COc1cc(cc(c1)F)C=O TS59691 [1,1,0,0,0,0|0,0,2]=4 870 B11R1.9 COc1cc(cc(c1)F)CBr TS00150 [1,1,0,0,0,0|1,0,0]=3 871 B11R1.9 COc1cc(cc(c1)F)OC TS02366 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.9 COc1cc(cc(c1)I)OC TS65282 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.9 COc1cc(cc(c1)OC)N TS02595 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.9 COc1cc(cc(c1)OC)O TS02598 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.9 COc1cc(cc(c1)S)OC TS65763 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.9 Cc1cc(cc(c1)OC)C#N TS07326 [1,1,0,0,0,0|1,0,1]=4 877 B11R1.9 Cc1cc(cc(c1)OC)OC TS02600 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.9 c1c(cc(cc1CO)Br)CO TS49203 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.9 c1c(cc(cc1CO)F)CO TS41601 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.9 c1c(cc(cc1CO)O)CO TS10406 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.189 CCOc1cccc(c1)C=O TS09862 [1,1,0,0,0,0|0,0,2]=4 882 B11R1.189 CCOc1cccc(c1)CO TS41134 [1,1,0,0,0,0|0,0,0]=2 883 B11R1.189 CCSc1cccc(c1)CN TS43261 [1,1,0,0,0,0|1,1,0]=4 884 B11R1.189 CNCc1cccc(c1)OC TS41039 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.189 COc1cccc(c1)CCN TS02822 [1,1,0,0,0,0|1,0,0]=3 886 B11R1.189 COc1cccc(c1)CCO TS41136 [1,1,0,0,0,0|0,0,0]=2 887 B11R1.189 COc1cccc(c1)CNN TS88044 [1,1,0,0,0,0|1,0,0]=3 888 B11R1.189 COc1cccc(c1)CO[NH3+] TS16252 [1,1,0,0,0,0|0,0,0]=2 889 B11R1.189 COc1cccc(c1)N=C=O TS40722 [1,1,0,0,0,0|0,0,2]=4 890 B11R1.189 COc1cccc(c1)N=C=S TS42924 [1,1,0,0,0,0|0,1,1]=4 891 B11R1.189 COc1cccc(n1)CC#N TS40620 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.189 c1cc(cc(c1)CO)CC#N TS07329 [1,1,0,0,0,0|1,0,1]=4 893 B11R1.189 c1cc(cc(c1)CO)CCN TS41046 [1,1,0,0,0,0|1,0,0]=3 894 B11R1.266 B(c1cc(cnc1)OC)(O)O TS55471 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.266 B(c1cccc(c1)CC)(O)O TS70560 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.266 B(c1cccc(c1)CO)(O)O TS65707 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.266 B(c1cccc(c1)OC)(O)O TS02824 [1,1,0,0,0,0|1,0,0]=3 898 B11R1.266 B(c1cccc(c1)SC)(O)O TS65712 [1,1,0,0,0,0|1,1,0]=4 899 B11R1.266 B(c1cccc(n1)OC)(O)O TS55621 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.266 B(c1ccnc(c1)OC)(O)O TS55431 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.266 CC(=O)c1cccc(c1)CCl TS12614 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [1,1,0,0,0,0|0,0,2]=4 903 B11R1.266 CC(C)c1cccc(n1)OC TS07961 [1,1,0,0,0,0|2,0,0]=4 904 B11R1.266 CC(c1cccc(c1)OC)O TS41146 [1,1,0,0,0,0|0,0,0]=2 905 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [1,1,0,0,0,0|1,0,1]=4 907 B11R1.266 CCc1cccc(c1)C(C)C TS07506 [1,1,0,0,0,0|2,0,0]=4 908 B11R1.266 CN(C)c1cccc(c1)CO TS10077 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.266 CN(C)c1cccc(c1)OC TS10068 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [1,1,0,0,0,0|1,0,1]=4 911 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [1,1,0,0,0,0|1,0,1]=4 912 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [1,1,0,0,0,0|1,0,1]=4 913 B11R1.266 COc1cccc(c1)C(=N)N TS02820 [1,1,0,0,0,0|1,0,1]=4 914 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [1,1,0,0,0,0|0,0,2]=4 915 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [1,1,0,0,0,0|0,0,2]=4 916 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [1,1,0,0,0,0|0,0,1]=3 917 B11R1.266 COc1cccc(c1)C(=S)N TS12416 [1,1,0,0,0,0|0,1,1]=4 918 B11R1.266 COc1cccc(c1)[N+](=O)[O-] TS41249 [1,1,0,0,0,0|1,0,1]=4 919 B11R1.266 COc1cccc(n1)C(=O)O TS55620 [1,1,0,0,0,0|1,0,1]=4 920 B11R1.266 COc1ccnc(c1)C(=O)O TS03161 [1,1,0,0,0,0|1,0,1]=4 921 B11R1.266 COc1ccnc(c1)C(=O)O TS50978 [1,1,0,0,0,0|1,0,1]=4 922 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [1,1,0,0,0,0|0,1,1]=4 923 B11R1.266 C[C@@H](c1cccc(c1)OC)N TS08650 [1,1,0,0,0,0|1,0,0]=3 924 B11R1.266 C[C@H](c1cccc(c1)OC)N TS59481 [1,1,0,0,0,0|1,0,0]=3 925 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.267 CCc1cccc(c1Br)CC TS44297 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.267 CCc1cccc(c1N)CC TS40786 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.267 CCc1cccc(c1O)CC TS60244 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.267 COc1cccc(c1Br)OC TS49206 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.267 COc1cccc(c1Cl)OC TS09253 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.267 COc1cccc(c1F)C#N TS09288 [1,1,0,0,0,0|1,0,1]=4 932 B11R1.267 COc1cccc(c1F)C=O TS55328 [1,1,0,0,0,0|0,0,2]=4 933 B11R1.267 COc1cccc(c1N)C#N TS40629 [1,1,0,0,0,0|1,0,1]=4 934 B11R1.267 COc1cccc(c1N)OC TS47315 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.267 COc1cccc(c1O)C#N TS40729 [1,1,0,0,0,0|1,0,1]=4 936 B11R1.267 COc1cccc(c1O)CO TS10414 [1,1,0,0,0,0|0,0,0]=2 937 B11R1.267 COc1cccc(c1O)OC TS10409 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.267 Cc1c(ccnc1CCl)OC TS85342 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.14 CC1=CC(=NO)C=C(C1=O)C TS10029 [1,1,0,0,0,0|1,0,1]=4 940 B11R1.14 Cc1cc(cc(c1O)C)C#N TS02367 [1,1,0,0,0,0|1,0,1]=4 941 B11R1.14 Cc1cc(cc(c1O)C)C=O TS40860 [1,1,0,0,0,0|0,0,2]=4 942 B11R1.14 Cc1cc(cc(c1O)C)N=O TS40998 [1,1,0,0,0,0|1,0,1]=4 943 B11R1.14 Cc1cc(cc(c1O)Cl)C#N TS85977 [1,1,0,0,0,0|1,0,1]=4 944 B11R1.14 c1c(cc(c(c1Br)O)Br)CN TS34270 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.14 c1c(cc(c(c1F)F)F)CO TS02519 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.14 c1c(cc(c(c1O)O)Br)C=O TS22885 [1,1,0,0,0,0|0,0,2]=4 947 B11R1.14 c1c(cc(c(c1O)O)Cl)C=O TS13253 [1,1,0,0,0,0|0,0,2]=4 948 B11R1.21 B(c1ccc(c(c1)C)C)(O)O TS65766 [1,1,0,0,0,0|2,0,0]=4 949 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O TS09646 [1,1,0,0,0,0|2,0,0]=4 950 B11R1.21 B(c1ccc(c(c1)C)F)(O)O TS70665 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O TS13248 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.21 B(c1ccc(c(c1)F)O)(O)O TS02041 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [1,1,0,0,0,0|0,0,2]=4 954 B11R1.21 CC(C)c1ccc(c(c1)N)O TS41038 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.21 CC(C)c1ccc(c(c1)O)O TS41153 [1,1,0,0,0,0|1,0,0]=3 956 B11R1.21 CC(c1ccc(c(c1)Cl)F)O TS13589 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [1,1,0,0,0,0|1,0,1]=4 958 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [1,1,0,0,0,0|1,0,1]=4 959 B11R1.21 Cc1cc(ccc1Cl)[C@H](C)N TS45062 [1,1,0,0,0,0|2,0,0]=4 960 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [1,1,0,0,0,0|1,0,1]=4 961 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [1,1,0,0,0,0|1,0,1]=4 962 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [1,1,0,0,0,0|1,0,1]=4 963 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [1,1,0,0,0,0|0,0,2]=4 964 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [1,1,0,0,0,0|0,0,1]=3 965 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [1,1,0,0,0,0|1,0,1]=4 966 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [1,1,0,0,0,0|1,0,1]=4 967 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [1,1,0,0,0,0|1,0,1]=4 968 B11R1.21 Cc1ccc(cc1O)C(C)C TS40901 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [1,1,0,0,0,0|0,0,2]=4 970 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [1,1,0,0,0,0|1,0,1]=4 971 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [1,1,0,0,0,0|1,0,1]=4 972 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [1,1,0,0,0,0|1,0,1]=4 973 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [1,1,0,0,0,0|1,0,1]=4 974 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [1,1,0,0,0,0|1,0,1]=4 975 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [1,1,0,0,0,0|1,0,1]=4 976 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [1,1,0,0,0,0|1,0,1]=4 977 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [1,1,0,0,0,0|1,0,1]=4 978 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [1,1,0,0,0,0|1,0,1]=4 979 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [1,1,0,0,0,0|1,0,1]=4 980 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [1,1,0,0,0,0|0,0,1]=3 981 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [1,1,0,0,0,0|0,0,2]=4 982 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [1,1,0,0,0,0|1,0,1]=4 983 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.192 Cc1cc(ccc1F)CCO TS41380 [1,1,0,0,0,0|1,0,0]=3 985 B11R1.192 Cc1cc(ccc1O)SC#N TS42915 [1,1,0,0,0,0|1,0,1]=4 986 B11R1.192 Cc1ccc(cc1C)C=NO TS07573 [1,1,0,0,0,0|1,0,1]=4 987 B11R1.192 Cc1ccc(cc1C)CC#N TS07125 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.192 Cc1ccc(cc1C)CCN TS65765 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.192 Cc1ccc(cc1F)CCO TS41379 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.192 c1cc(c(cc1C=NO)O)O TS41241 [1,1,0,0,0,0|0,0,1]=3 991 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [1,1,0,0,0,0|1,0,0]=3 992 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [1,1,0,0,0,0|1,0,0]=3 993 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [1,1,0,0,0,0|1,0,0]=3 994 B11R1.192 c1cc(c(cc1CCO)Cl)Cl TS51235 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.192 c1cc(c(cc1CCO)Cl)F TS13598 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.192 c1cc(c(cc1CCO)F)Cl TS13605 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.192 c1cc(c(cc1CCO)F)F TS10938 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [1,1,0,0,0,0|0,0,0]=2 999 B11R1.192 c1cc(c(cc1CO[NH3+])Cl)Cl TS24615 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.278 Cc1c(ccc(c1F)CN)F TS10831 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.278 Cc1c(ccc(c1F)F)CO TS10935 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [1,1,0,0,0,0|0,0,2]=4 1003 B11R1.278 Cc1c(cnc(c1O)C)CO TS16251 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.278 c1cc(c(c(c1C#N)O)O)O TS09999 [1,1,0,0,0,0|1,0,1]=4 1006 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [1,1,0,0,0,0|0,0,2]=4 1007 B11R1.279 COc1c(cc(cn1)CO)Cl TS03266 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [1,1,0,0,0,0|2,0,0]=4 1009 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.279 COc1ccc(cc1Br)CN TS21977 [1,1,0,0,0,0|2,0,0]=4 1011 B11R1.279 COc1ccc(cc1Br)CO TS59850 [1,1,0,0,0,0|1,0,0]=3 1012 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.279 COc1ccc(cc1F)CBr TS65514 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.279 COc1ccc(cc1F)CN TS41508 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.279 COc1ccc(cc1F)CO TS41603 [1,1,0,0,0,0|1,0,0]=3 1017 B11R1.279 COc1ccc(cc1O)C#N TS70607 [1,1,0,0,0,0|1,0,1]=4 1018 B11R1.279 COc1ccc(cc1O)C=O TS70606 [1,1,0,0,0,0|0,0,2]=4 1019 B11R1.279 COc1ccc(cc1O)CN TS16250 [1,1,0,0,0,0|1,0,0]=3 1020 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|0,0,0]=2 1021 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [1,1,0,0,0,0|0,0,2]=4 1022 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [1,1,0,0,0,0|1,0,0]=3 1023 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [1,1,0,0,0,0|0,0,0]=2 1024 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [1,1,0,0,0,0|2,0,0]=4 1025 B13R1.13 CC(C)c1ccc(c(c1)C(=O)C)O TS47572 [0,2,0,0,0,0|2,0,0]=4 1026 B13R1.13 CC(C)c1ccc(c(c1)C(C)C)O TS14276 [0,2,0,0,0,0|2,0,0]=4 1027 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O TS14589 [0,2,0,0,0,0|1,0,0]=3 1028 B13R1.49 CCc1cc(ccc1O)C(=O)OC TS14618 [0,2,0,0,0,0|1,0,1]=4 1029 B13R1.49 COc1cc(ccc1I)C(=O)OC TS58253 [0,2,0,0,0,0|1,0,1]=4 1030 B13R1.49 COc1cc(ccc1N)C(=O)OC TS08591 [0,2,0,0,0,0|1,0,1]=4 1031 B13R1.49 COc1cc(ccc1O)C(=O)NN TS14937 [0,2,0,0,0,0|0,0,2]=4 1032 B13R1.49 COc1cc(ccc1O)C(=O)OC TS16566 [0,2,0,0,0,0|0,0,1]=3 1033 B13R1.49 COc1cc(ccc1O)C(CO)O TS82469 [0,2,0,0,0,0|0,0,0]=2 1034 B13R1.49 Cc1ccc(cc1OC)C(=O)OC TS59795 [0,2,0,0,0,0|1,0,1]=4 1035 B13R1.50 COc1cc(ccc1Cl)C(F)(F)F TS21012 [0,2,0,0,0,0|2,0,0]=4 1036 B13R1.50 COc1cc(ccc1F)C(F)(F)F TS51748 [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.50 COc1cc(ccc1O)S(=O)(=O)[O-] TS72704 [0,2,0,0,0,0|1,0,1]=4 1038 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)O TS38342 [0,2,0,0,0,0|0,0,1]=3 1039 B13R1.298 COc1cc(cc(c1O)O)C(=O)O TS48528 [0,2,0,0,0,0|0,0,1]=3 1040 B13R1.354 B(c1ccc(c(c1)OCC)F)(O)O TS46460 [0,2,0,0,0,0|2,0,0]=4 1041 B13R1.354 CCOc1cc(ccc1C)C(C)C TS14274 [0,2,0,0,0,0|2,0,0]=4 1042 B13R1.651 COc1cc(c(cc1F)N)C(=O)O TS89032 [0,2,0,0,0,0|1,0,1]=4 1043 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O TS02559 [0,2,0,0,0,0|1,0,0]=3 1044 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC TS02552 [0,2,0,0,0,0|0,0,2]=4 1045 B13R1.3091 COc1cc(ccc1CN)C(=O)O TS48083 [0,2,0,0,0,0|1,0,1]=4 1046 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] TS02015 [0,2,0,0,0,0|1,0,1]=4 1047 B13R1.3091 COc1ccc(cc1OC)C(=N)N TS02554 [0,2,0,0,0,0|1,0,1]=4 1048 B13R1.3091 COc1ccc(cc1OC)C(=O)Cl TS19109 [0,2,0,0,0,0|0,0,2]=4 1049 B13R1.3091 COc1ccc(cc1OC)C(=O)N TS48080 [0,2,0,0,0,0|0,0,2]=4 1050 B13R1.3091 COc1ccc(cc1OC)C(=O)O TS14931 [0,2,0,0,0,0|0,0,1]=3 1051 B13R1.3091 COc1ccc(cc1OC)C(=S)N TS18480 [0,2,0,0,0,0|0,1,1]=4 1052 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] TS15115 [0,2,0,0,0,0|1,0,1]=4 1053 B13R1.3091 C[C@@H](c1ccc(c(c1)OC)OC)N TS48101 [0,2,0,0,0,0|1,0,0]=3 1054 B13R1.3091 C[C@H](c1ccc(c(c1)OC)OC)N TS14810 [0,2,0,0,0,0|1,0,0]=3 1055 B13R1.3230 COc1c(ccc(c1F)C(=O)O)Br TS60383 [0,2,0,0,0,0|1,0,1]=4 1056 B13R1.3230 COc1c(ccc(c1F)C(=O)O)F TS00625 [0,2,0,0,0,0|1,0,1]=4 1057 B13R1.99 B(c1ccc(cc1OC)OC)(O)O TS93239 [0,2,0,0,0,0|2,0,0]=4 1058 B13R1.99 COc1cc(ccc1[N+](=O)[O-])CO TS15116 [0,2,0,0,0,0|0,0,1]=3 1059 B13R1.99 COc1ccc(c(c1)OC)C(=O)O TS59920 [0,2,0,0,0,0|2,0,0]=4 1060 B13R1.355 CCOc1cc(ccc1OC)C=O TS47907 [0,2,0,0,0,0|0,0,2]=4 1061 B13R1.386 CC=Cc1ccc(c(c1)OC)OC TS47559 [0,2,0,0,0,0|1,0,1]=4 1062 B13R1.386 CCCc1ccc(c(c1)OC)OC TS47958 [0,2,0,0,0,0|1,0,0]=3 1063 B13R1.386 COc1ccc(cc1OC)C=NO TS14754 [0,2,0,0,0,0|0,0,1]=3 1064 B13R1.386 COc1ccc(cc1OC)CC=C TS47565 [0,2,0,0,0,0|1,0,0]=3 1065 B13R1.386 COc1ccc(cc1OC)CCN TS02556 [0,2,0,0,0,0|1,0,0]=3 1066 B13R1.386 COc1ccc(cc1OC)CCN TS48110 [0,2,0,0,0,0|1,0,0]=3 1067 B13R1.386 COc1ccc(cc1OC)N=C=O TS47690 [0,2,0,0,0,0|0,0,2]=4 1068 B13R1.386 COc1ccc(cc1OC)N=C=S TS52043 [0,2,0,0,0,0|0,1,1]=4 1069 B13R1.434 COc1cc(cc(c1OC)Br)C=O TS27269 [0,2,0,0,0,0|0,0,2]=4 1070 B13R1.434 COc1cc(cc(c1OC)Cl)CN TS19285 [0,2,0,0,0,0|1,0,0]=3 1071 B13R1.434 COc1cc(cc(c1OC)I)C=O TS02222 [0,2,0,0,0,0|0,0,2]=4 1072 B13R1.434 COc1cc(cc(c1OC)O)C=O TS60324 [0,2,0,0,0,0|0,0,2]=4 1073 B13R1.434 COc1cc(cc(c1OC)O)CO TS15265 [0,2,0,0,0,0|0,0,0]=2 1074 B13R1.1249 CCOc1ccc(cc1OC)C=O TS14604 [0,2,0,0,0,0|0,0,2]=4 1075 B13R1.1249 CCOc1ccc(cc1OC)CO TS14976 [0,2,0,0,0,0|0,0,0]=2 1076 B13R1.1249 COc1ccc(c(c1)OC)C=NO TS48087 [0,2,0,0,0,0|2,0,0]=4 1077 B13R1.1249 COc1ccc(c(c1)OC)CCO TS14967 [0,2,0,0,0,0|2,0,0]=4 1078 B13R1.2200 COc1cc(c(cc1I)OC)CN TS58355 [0,2,0,0,0,0|2,0,0]=4 1079 B13R1.2200 COc1cc(c(cc1OC)Br)C#C TS26639 [0,2,0,0,0,0|1,0,1]=4 1080 B13R1.2200 COc1cc(c(cc1OC)Br)C=O TS27262 [0,2,0,0,0,0|0,0,2]=4 1081 B13R1.2200 COc1cc(c(cc1OC)Br)CBr TS32901 [0,2,0,0,0,0|1,0,0]=3 1082 B13R1.2200 COc1cc(c(cc1OC)Br)CO TS27566 [0,2,0,0,0,0|0,0,0]=2 1083 B13R1.2200 COc1cc(c(cc1OC)F)C#N TS48056 [0,2,0,0,0,0|1,0,1]=4 1084 B13R1.2200 COc1cc(c(cc1OC)F)C=O TS15241 [0,2,0,0,0,0|0,0,2]=4 1085 B13R1.2200 COc1cc(c(cc1OC)F)CCl TS19869 [0,2,0,0,0,0|1,0,0]=3 1086 B13R1.2200 COc1cc(c(cc1OC)N)C#N TS65362 [0,2,0,0,0,0|1,0,1]=4 1087 B13R1.2200 Cc1cc(c(cc1OC)OC)OC TS14962 [0,2,0,0,0,0|2,0,0]=4 1088 B13R1.2422 COc1ccc(c(c1OC)Cl)C#N TS53917 [0,2,0,0,0,0|1,0,1]=4 1089 B13R1.2422 COc1ccc(c(c1OC)Cl)C=O TS38004 [0,2,0,0,0,0|0,0,2]=4 1090 B13R1.2422 COc1ccc(c(c1OC)F)CCl TS19870 [0,2,0,0,0,0|1,0,0]=3 1091 B13R1.2422 COc1ccc(c(c1OC)O)C=O TS14925 [0,2,0,0,0,0|0,0,2]=4 1092 B13R1.2430 c1cc(c(cc1CO)[N+](=O)[O-])CO TS48399 [0,2,0,0,0,0|2,0,0]=4 1093 B13R1.384 CCOc1cc(ccc1O)CC#N TS46272 [0,2,0,0,0,0|1,0,0]=3 1094 B13R1.2431 COC(=O)c1cc(ccc1Cl)CN TS94353 [0,2,0,0,0,0|2,0,0]=4 1095 B13R1.2431 COC(=O)c1cc(ccc1O)C#N TS46240 [0,2,0,0,0,0|1,0,1]=4 1096 B13R1.2431 COC(=O)c1cc(ccc1O)C=O TS39350 [0,2,0,0,0,0|0,0,2]=4 1097 B13R1.2431 COC(=O)c1cc(ccc1O)CN TS14758 [0,2,0,0,0,0|1,0,0]=3 1098 B13R1.2431 COc1ccc(c(c1)C(=O)OC)O TS48227 [0,2,0,0,0,0|2,0,0]=4 1099 B13R1.3981 CCOc1cc(cc(c1O)Br)C=O TS27261 [0,2,0,0,0,0|0,0,2]=4 1100 B13R1.3981 CCOc1cc(cc(c1O)I)C=O TS58252 [0,2,0,0,0,0|0,0,2]=4 1101 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O TS47898 [0,2,0,0,0,0|0,0,1]=3 1102 B13R1.52 CC(=O)Nc1ccc(c(c1)OC)O TS14771 [0,2,0,0,0,0|0,0,2]=4 1103 B13R1.52 COc1cc(ccc1F)CC(=O)O TS59616 [0,2,0,0,0,0|1,0,0]=3 1104 B13R1.52 COc1cc(ccc1O)CC(=O)O TS60412 [0,2,0,0,0,0|0,0,0]=2 1105 B13R1.575 CCOCc1ccc(c(c1)OC)O TS48258 [0,2,0,0,0,0|0,0,0]=2 1106 B13R1.575 COc1cc(ccc1O)C=CC=O TS14171 [0,2,0,0,0,0|0,0,2]=4 1107 B13R1.575 COc1cc(ccc1O)C=CCO TS47915 [0,2,0,0,0,0|0,0,0]=2 1108 B13R1.575 COc1cc(ccc1O)CCCO TS14980 [0,2,0,0,0,0|0,0,0]=2 1109 B13R1.4030 COc1cc(cc(c1O)Br)CC#N TS57640 [0,2,0,0,0,0|1,0,0]=3 1110 B13R1.4030 COc1cc(cc(c1O)Br)CC=C TS26971 [0,2,0,0,0,0|1,0,0]=3 1111 B13R1.424 COc1c(c(cc(c1F)F)CN)F TS51251 [0,2,0,0,0,0|2,0,0]=4 1112 B13R1.425 COc1cc(c(c(c1O)Br)Br)C=O TS76369 [0,2,0,0,0,0|0,0,2]=4 1113 B13R1.433 COc1cc(c(c(c1)OC)O)OC TS47186 [0,2,0,0,0,0|2,0,0]=4 1114 B13R1.433 COc1cc(cc(c1Br)OC)CO TS16765 [0,2,0,0,0,0|1,0,0]=3 1115 B13R1.433 COc1cc(cc(c1O)OC)C=O TS14919 [0,2,0,0,0,0|0,0,2]=4 1116 B13R1.433 COc1cc(cc(c1O)OC)CO TS15263 [0,2,0,0,0,0|0,0,0]=2 1117 B13R1.98 CCc1ccc(c(c1)C(C)(C)C)O TS47605 [0,2,0,0,0,0|2,0,0]=4 1118 B13R1.2277 COc1ccc(c(c1OC)OC)O TS15264 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.44 COC(=O)c1ccc(o1)CBr TS22522 [0,0,1,1,0,0|2,0,0]=4 1120 B11R1.44 COC(=O)c1ccc(o1)CCl TS45864 [0,0,1,1,0,0|2,0,0]=4 1121 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [1,0,0,1,0,0|2,0,0]=4 1122 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [1,0,0,1,0,0|2,0,0]=4 1123 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,0,0,1,0,0|0,0,0]=2 1124 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [1,0,0,1,0,0|1,0,1]=4 1125 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [1,0,0,1,0,0|1,0,1]=4 1126 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,0,0,1,0,0|2,0,0]=4 1127 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [1,0,0,1,0,0|1,0,0]=3 1128 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,0,0,1,0,0|2,0,0]=4 1129 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [1,0,0,1,0,0|1,0,0]=3 1130 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,0,0,1,0,0|2,0,0]=4 1131 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [1,0,0,1,0,0|1,0,0]=3 1132 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,0,0,1,0,0|2,0,0]=4 1133 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,0,0,1,0,0|1,0,0]=3 1134 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [1,0,0,1,0,0|0,0,0]=2 1135 B11R2.173 c1cc2c(c(c1)CO)CC2 TS03126 [1,0,0,1,0,0|1,0,0]=3 1136 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O TS47158 [0,1,0,1,0,0|2,0,0]=4 1137 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O TS65769 [0,1,0,1,0,0|1,0,0]=3 1138 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 TS11822 [0,1,0,1,0,0|0,0,2]=4 1139 B13R2.430 C[C@H](c1ccc2c(c1)CCO2)N TS11724 [0,1,0,1,0,0|2,0,0]=4 1140 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 TS19113 [0,1,0,1,0,0|1,0,1]=4 1141 B13R2.430 c1cc2c(cc1C(=O)Cl)OCO2 TS15369 [0,1,0,1,0,0|0,0,2]=4 1142 B13R2.430 c1cc2c(cc1C(=O)N)OCO2 TS11998 [0,1,0,1,0,0|0,0,2]=4 1143 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 TS47159 [0,1,0,1,0,0|1,0,1]=4 1144 B13R2.430 c1cc2c(cc1C(=O)O)OCC2 TS11817 [0,1,0,1,0,0|1,0,1]=4 1145 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 TS12139 [0,1,0,1,0,0|0,0,1]=3 1146 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 TS39219 [0,1,0,1,0,0|0,1,1]=4 1147 B13R2.430 c1cc2c(cc1N(=O)=O)OCO2 TS33189 [0,1,0,1,0,0|1,0,1]=4 1148 B13R2.57 [C-]#[N+]c1ccc2c(c1)OCCO2 TS11366 [0,1,0,1,0,0|2,0,0]=4 1149 B13R2.57 c1cc2c(cc1C#N)OCCO2 TS11365 [0,1,0,1,0,0|1,0,1]=4 1150 B13R2.57 c1cc2c(cc1C=O)OCCO2 TS39994 [0,1,0,1,0,0|0,0,2]=4 1151 B13R2.57 c1cc2c(cc1CN)CCCO2 TS11733 [0,1,0,1,0,0|2,0,0]=4 1152 B13R2.57 c1cc2c(cc1CN)OCCO2 TS65768 [0,1,0,1,0,0|1,0,0]=3 1153 B13R2.57 c1cc2c(cc1CO)OCCO2 TS08780 [0,1,0,1,0,0|0,0,0]=2 1154 B13R2.57 c1cc2c(cc1NN)OCCO2 TS00562 [0,1,0,1,0,0|2,0,0]=4 1155 B13R2.669 Cn1c2cc(ccc2cn1)CO TS88947 [0,1,0,1,0,0|2,0,0]=4 1156 B13R2.669 Cn1cnc2c1cc(cc2)CO TS46495 [0,1,0,1,0,0|2,0,0]=4 1157 B13R2.2121 Cn1cc2cc(ccc2n1)CO TS85749 [0,1,0,1,0,0|2,0,0]=4 1158 B13R2.2121 Cn1cc2ccc(cc2n1)CO TS91692 [0,1,0,1,0,0|2,0,0]=4 1159 B13R2.449 C=CCc1ccc2c(c1)OCO2 TS42437 [0,1,0,1,0,0|1,0,0]=3 1160 B13R2.449 CC=Cc1ccc2c(c1)OCO2 TS11542 [0,1,0,1,0,0|1,0,1]=4 1161 B13R2.449 CCCc1ccc2c(c1)OCO2 TS11851 [0,1,0,1,0,0|1,0,0]=3 1162 B13R2.449 CCNc1ccc2c(c1)OCO2 TS12021 [0,1,0,1,0,0|1,0,0]=3 1163 B13R2.449 CNCc1ccc2c(c1)OCO2 TS42887 [0,1,0,1,0,0|1,0,0]=3 1164 B13R2.449 c1cc2c(cc1C=NO)OCO2 TS11997 [0,1,0,1,0,0|0,0,1]=3 1165 B13R2.449 c1cc2c(cc1CC#N)OCO2 TS11364 [0,1,0,1,0,0|1,0,0]=3 1166 B13R2.449 c1cc2c(cc1CCBr)CCO2 TS71310 [0,1,0,1,0,0|2,0,0]=4 1167 B13R2.449 c1cc2c(cc1CCCl)CCO2 TS94253 [0,1,0,1,0,0|2,0,0]=4 1168 B13R2.449 c1cc2c(cc1CCN)OCO2 TS08537 [0,1,0,1,0,0|1,0,0]=3 1169 B13R2.449 c1cc2c(cc1CCN)OCO2 TS19274 [0,1,0,1,0,0|1,0,0]=3 1170 B13R2.449 c1cc2c(cc1CCO)OCO2 TS22867 [0,1,0,1,0,0|0,0,0]=2 1171 B13R2.449 c1cc2c(cc1N=C=S)OCO2 TS47706 [0,1,0,1,0,0|0,1,1]=4 1172 B13R2.599 COc1cc2c(cc1O)cn[nH]2 TS11830 [0,1,0,1,0,0|2,0,0]=4 1173 B13R2.599 c1c(c(cc2c1OCO2)Br)C#N TS52262 [0,1,0,1,0,0|1,0,1]=4 1174 B13R2.599 c1c(c(cc2c1OCO2)Br)C=O TS55554 [0,1,0,1,0,0|0,0,2]=4 1175 B13R2.599 c1c(c(cc2c1OCO2)Br)CO TS53119 [0,1,0,1,0,0|0,0,0]=2 1176 B13R2.599 c1c(c(cc2c1OCO2)Cl)C=O TS15370 [0,1,0,1,0,0|0,0,2]=4 1177 B13R2.599 c1c(c(cc2c1OCO2)Cl)CCl TS19903 [0,1,0,1,0,0|1,0,0]=3 1178 B13R2.654 COc1cc(c2c(c1)OCO2)N TS12376 [0,1,0,1,0,0|2,0,0]=4 1179 B13R2.654 c1c(cc(c2c1OCO2)Cl)CN TS15507 [0,1,0,1,0,0|1,0,0]=3 1180 B13R2.654 c1c(cc2c(c1O)OCO2)C=O TS12136 [0,1,0,1,0,0|0,0,2]=4 1181 B13R2.654 c1c(cc2c(c1O)OCO2)CO TS44832 [0,1,0,1,0,0|0,0,0]=2 1182 B11R1.265 COc1cccc(c1OC)O TS41358 [0,0,0,0,1,1|2,0,0]=4