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|3,0,1]=4 2 B11R1.280 CCc1ccc(c(c1)CC)C TS40685 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [0,0,0,0,0,0|1,0,1]=2 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|1,0,0]=1 8 B11R1.280 COc1cc(ccc1F)CBr TS60401 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.280 COc1cc(ccc1F)CCl TS13590 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.280 COc1cc(ccc1F)CO TS41605 [0,0,0,0,0,0|1,0,2]=3 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|1,0,0]=1 13 B11R1.280 COc1cc(ccc1O)C=O TS02812 [0,0,0,0,0,0|0,0,0]=0 14 B11R1.280 COc1cc(ccc1O)CN TS16249 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.280 COc1cc(ccc1O)CO TS10411 [0,0,0,0,0,0|0,0,2]=2 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|1,0,0]=1 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#N)F TS09714 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.280 c1cc(c(cc1C=O)C=O)O TS07649 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.280 c1cc(c(cc1CCl)C=O)O TS12923 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.30 CCc1cc(ccc1I)Br TS76460 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.30 CCc1cc(ccc1N)Br TS25964 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.30 CCc1cc(ccc1N)Br TS37843 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.30 CCc1cc(ccc1N)I TS27559 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [1,0,0,0,0,0|0,0,1]=2 45 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.30 COc1cc(ccc1Br)F TS65379 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.30 COc1cc(ccc1Br)I TS01774 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.30 COc1cc(ccc1Br)N TS00018 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.30 COc1cc(ccc1Br)O TS00019 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.30 COc1cc(ccc1Cl)F TS09281 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.30 COc1cc(ccc1Cl)N TS10907 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.30 COc1cc(ccc1F)Br TS19895 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.30 COc1cc(ccc1F)F TS65344 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.30 COc1cc(ccc1N)Br TS70959 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.30 COc1cc(ccc1N)F TS93806 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.30 COc1cc(ccc1N)N TS56779 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.30 COc1cc(ccc1O)F TS37549 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.30 COc1cc(ccc1O)O TS37335 [1,0,0,0,0,0|0,0,1]=2 63 B10R1.30 COc1cc(cnc1Br)Cl TS23560 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.30 COc1cc(cnc1N)Br TS38378 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [1,0,0,0,0,0|1,0,1]=3 70 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,0,0,0,0,0|0,0,1]=2 71 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.30 c1cc(c(cc1N)C#N)O TS36814 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.172 C=Cc1cccc(c1)C=C TS36517 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.172 C=Cc1cccc(c1)C=O TS05736 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.172 CCc1cccc(c1)C#N TS00148 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.172 CCc1cccc(c1)C=O TS36830 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.172 CCc1cccc(c1)NN TS13273 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.172 CNc1cccc(c1)OC TS37104 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.172 CNc1cccc(n1)OC TS37198 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.172 COc1cc(ccn1)C#N TS36820 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.172 COc1cc(ccn1)C=O TS55432 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.172 COc1cc(ccn1)CN TS86154 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.172 COc1cc(ccn1)CO TS86056 [1,0,0,0,0,0|1,0,2]=4 101 B10R1.172 COc1cc(cnc1)C=O TS37089 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.172 COc1cc(cnc1)CN TS92215 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.172 COc1cc(cnc1)CO TS86006 [1,0,0,0,0,0|1,0,2]=4 104 B10R1.172 COc1cc(cnc1)OC TS02599 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.172 COc1cccc(c1)C#C TS36666 [1,0,0,0,0,0|1,0,1]=3 106 B10R1.172 COc1cccc(c1)C#N TS39448 [1,0,0,0,0,0|1,0,1]=3 107 B10R1.172 COc1cccc(c1)C=O TS02819 [1,0,0,0,0,0|0,0,0]=1 108 B10R1.172 COc1cccc(c1)CBr TS38037 [1,0,0,0,0,0|1,0,1]=3 109 B10R1.172 COc1cccc(c1)CCl TS39449 [1,0,0,0,0,0|1,0,1]=3 110 B10R1.172 COc1cccc(c1)CN TS60017 [1,0,0,0,0,0|1,0,1]=3 111 B10R1.172 COc1cccc(c1)CO TS39311 [1,0,0,0,0,0|0,0,2]=3 112 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [1,0,0,0,0,0|1,0,1]=3 113 B10R1.172 COc1cccc(c1)NN TS02825 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.172 COc1cccc(c1)OC TS46804 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.172 COc1cccc(c1)SC TS41406 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.172 COc1cccc(n1)C#N TS36815 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.172 COc1cccc(n1)C=O TS01259 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.172 COc1cccc(n1)CN TS46568 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.172 COc1cccc(n1)CO TS06371 [1,0,0,0,0,0|1,0,2]=4 121 B10R1.172 COc1cccc(n1)OC TS65016 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.172 COc1ccnc(c1)CO TS46547 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.172 COc1ccnc(c1)OC TS06363 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.172 CSc1nccc(n1)C=O TS02454 [1,0,0,0,0,0|2,1,0]=4 125 B10R1.172 c1c(cncc1C#N)C=O TS39352 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.172 c1c(cncc1C=O)C=O TS05971 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.172 c1c(cncc1C=O)CN TS06067 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.172 c1cc(cc(c1)C#N)C=O TS66017 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.172 c1cc(cc(c1)C=O)C=O TS59648 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.172 c1cc(nc(c1)C=O)C=O TS05969 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.172 c1cc(nc(c1)C=O)CF TS37266 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.172 c1cnc(cc1C=O)C#N TS00974 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.172 c1cnc(cc1C=O)CN TS06057 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,0,0,0,0,0|1,0,1]=3 141 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.176 COc1ccc(c(c1)F)O TS55337 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.176 COc1ccc(c(c1)N)O TS08806 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.176 COc1ccc(c(c1)O)N TS13758 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,0,0,0,0,0|1,0,0]=2 158 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.176 Cc1cc(ccc1F)CN TS39504 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,0,0,0,0,0|1,0,2]=4 161 B10R1.176 Cc1cc(ccc1F)OC TS60402 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.176 Cc1cc(ccc1N)OC TS71202 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [1,0,0,0,0,0|2,0,0]=3 165 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,0,0,0,0,0|1,0,0]=2 169 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,0,0,0,0,0|2,0,1]=4 170 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,0,0,0,0,0|1,0,2]=4 172 B10R1.176 Cc1ccc(cc1C)NN TS13274 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,0,0,0,0,0|1,0,0]=2 176 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.176 c1c(cnc(c1Cl)Cl)C=O TS47146 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.176 c1cc(c(cc1C#N)Br)O TS01840 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.176 c1cc(c(cc1C#N)Cl)O TS02694 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.176 c1cc(c(cc1C#N)F)O TS65508 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.176 c1cc(c(cc1C#N)N)O TS60259 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.176 c1cc(c(cc1C#N)O)F TS39501 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [1,0,0,0,0,0|1,0,1]=3 185 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [1,0,0,0,0,0|1,0,0]=2 188 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [1,0,0,0,0,0|1,0,0]=2 191 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [1,0,0,0,0,0|1,0,0]=2 196 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [1,0,0,0,0,0|2,0,0]=3 198 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [1,0,0,0,0,0|1,0,0]=2 199 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [1,0,0,0,0,0|1,0,0]=2 200 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [1,0,0,0,0,0|0,0,0]=1 201 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [1,0,0,0,0,0|1,0,1]=3 203 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [1,0,0,0,0,0|1,0,1]=3 204 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [1,0,0,0,0,0|1,0,2]=4 205 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [1,0,0,0,0,0|1,0,2]=4 206 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,0,0,0,0,0|0,0,2]=3 207 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O TS46468 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.56 B(c1ccc(c(c1)OC)Cl)(O)O TS85493 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O TS07663 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O TS42285 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O TS08973 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [0,1,0,0,0,0|1,0,0]=2 213 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [0,1,0,0,0,0|0,0,0]=1 215 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [0,1,0,0,0,0|0,0,2]=3 216 B12R1.56 CCc1cc(ccc1F)C(=O)O TS44846 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] TS55131 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [0,1,0,0,0,0|1,0,0]=2 220 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] TS00919 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.56 COc1cc(ccc1F)N(=O)=O TS01012 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] TS09307 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [0,1,0,0,0,0|1,0,0]=2 225 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] TS09310 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [0,1,0,0,0,0|0,0,0]=1 227 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [0,1,0,0,0,0|0,0,0]=1 228 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS01094 [0,1,0,0,0,0|1,0,0]=2 229 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS17237 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] TS16073 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.56 COc1cc(cnc1O)[N+](=O)[O-] TS65096 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.56 C[C@@H](c1ccc(c(c1)OC)F)N TS12686 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.56 Cc1ccc(cc1OC)C(=O)N TS12003 [0,1,0,0,0,0|1,0,0]=2 234 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [0,1,0,0,0,0|1,0,0]=2 235 B12R1.56 Cc1ccc(cc1OC)[N+](=O)[O-] TS39679 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.56 c1cc(c(cc1C(=O)N)C=O)F TS65136 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.56 c1cc(c(cc1C(=O)O)C#N)F TS09362 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.56 c1cc(c(cc1C(=O)O)C=O)F TS12470 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.56 c1cc(c(cc1C(=O)O)C=O)O TS12140 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.56 c1cc(c(cc1N(=O)=O)[Hg]Cl)O TS66966 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C=O)O TS09185 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CBr)O TS53249 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CCl)O TS50617 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CO)O TS12642 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.78 COc1cc(ccc1C=O)C#N TS32964 [0,1,0,0,0,0|1,0,2]=4 246 B12R1.78 COc1cc(ccc1CBr)C#N TS24110 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.78 COc1cc(ccc1SC)C=O TS15004 [0,1,0,0,0,0|0,1,0]=2 248 B12R1.78 COc1ccc(c(c1)OC)C#N TS42561 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.78 COc1ccc(c(c1)OC)C=O TS22990 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.78 COc1ccc(c(c1)OC)CN TS47233 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.78 COc1ccc(c(c1)OC)CN TS47270 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.78 COc1ccc(c(c1)OC)CO TS47232 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.78 COc1ccc(c(c1)OC)OC TS12521 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.78 COc1ccc(c(c1)OC)[Mg]Br TS57586 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.78 COc1ccc(c(c1)OC)[N+]#[C-] TS11685 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.78 COc1ccc(cc1CO)C=O TS43041 [0,1,0,0,0,0|2,0,0]=3 257 B12R1.78 COc1ccc(cc1OC)C#C TS11536 [0,1,0,0,0,0|1,0,1]=3 258 B12R1.78 COc1ccc(cc1OC)C=C TS11888 [0,1,0,0,0,0|1,0,0]=2 259 B12R1.78 COc1ccc(cc1OC)C=O TS60325 [0,1,0,0,0,0|0,0,0]=1 260 B12R1.78 COc1ccc(cc1OC)CBr TS25019 [0,1,0,0,0,0|1,0,1]=3 261 B12R1.78 COc1ccc(cc1OC)CCl TS49007 [0,1,0,0,0,0|1,0,1]=3 262 B12R1.78 COc1ccc(cc1OC)CN TS38506 [0,1,0,0,0,0|1,0,1]=3 263 B12R1.78 COc1ccc(cc1OC)CN TS43248 [0,1,0,0,0,0|1,0,1]=3 264 B12R1.78 COc1ccc(cc1OC)CO TS44868 [0,1,0,0,0,0|0,0,2]=3 265 B12R1.78 COc1ccc(cc1OC)NN TS19879 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.78 COc1ccc(cc1OC)SC TS48595 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.78 COc1ccc(cc1OC)[Mg]Br TS57585 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.78 COc1ccc(cc1OC)[N+]#[C-] TS42575 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.78 CSc1c(ccc(n1)C=O)C#N TS47544 [0,1,0,0,0,0|2,1,0]=4 270 B12R1.270 CCOc1cc(ccc1Br)C#N TS24114 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.270 CCOc1cc(ccc1O)C=O TS12168 [0,1,0,0,0,0|0,0,0]=1 272 B12R1.270 CCOc1cc(ccc1O)CN TS43244 [0,1,0,0,0,0|1,0,1]=3 273 B12R1.270 CCOc1cc(ccc1O)CO TS12528 [0,1,0,0,0,0|0,0,2]=3 274 B12R1.286 CC=Cc1ccc(c(c1)OC)O TS11885 [0,1,0,0,0,0|1,0,0]=2 275 B12R1.286 CCCc1ccc(c(c1)OC)O TS12255 [0,1,0,0,0,0|1,0,1]=3 276 B12R1.286 COc1cc(ccc1F)CC#N TS42878 [0,1,0,0,0,0|2,0,1]=4 277 B12R1.286 COc1cc(ccc1O)C=NO TS43214 [0,1,0,0,0,0|0,0,1]=2 278 B12R1.286 COc1cc(ccc1O)CC#N TS11709 [0,1,0,0,0,0|1,0,1]=3 279 B12R1.286 COc1cc(ccc1O)CC=C TS11869 [0,1,0,0,0,0|1,0,0]=2 280 B12R1.286 COc1cc(ccc1O)CCN TS22775 [0,1,0,0,0,0|1,0,1]=3 281 B12R1.286 COc1cc(ccc1O)CCN TS22835 [0,1,0,0,0,0|1,0,1]=3 282 B12R1.286 COc1cc(ccc1O)CCO TS03115 [0,1,0,0,0,0|0,0,2]=3 283 B12R1.286 Cc1ccc(cc1OC)CC#N TS60016 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.300 COc1cc(c(c(c1)F)Br)OC TS25678 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.300 COc1cc(cc(c1O)Br)C=O TS60335 [0,1,0,0,0,0|0,0,0]=1 286 B12R1.300 COc1cc(cc(c1O)Cl)C=O TS15712 [0,1,0,0,0,0|0,0,0]=1 287 B12R1.300 COc1cc(cc(c1O)Cl)CO TS16088 [0,1,0,0,0,0|0,0,2]=3 288 B12R1.300 COc1cc(cc(c1O)F)C=O TS85082 [0,1,0,0,0,0|0,0,0]=1 289 B12R1.300 COc1cc(cc(c1O)I)C=O TS33986 [0,1,0,0,0,0|0,0,0]=1 290 B12R1.300 COc1cc(cc(c1O)I)CO TS54296 [0,1,0,0,0,0|0,0,2]=3 291 B12R1.300 COc1cc(cc(c1O)O)C=O TS44818 [0,1,0,0,0,0|0,0,0]=1 292 B12R1.300 Cc1cc(cc(c1O)OC)C#N TS85848 [0,1,0,0,0,0|1,0,1]=3 293 B12R1.449 COc1cc(c(cc1Br)Br)OC TS35851 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.449 COc1cc(c(cc1Cl)F)C=O TS16080 [0,1,0,0,0,0|1,0,0]=2 295 B12R1.449 COc1cc(c(cc1N)Cl)OC TS15878 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.449 COc1cc(c(cc1O)Br)C=O TS08323 [0,1,0,0,0,0|0,0,0]=1 297 B12R1.453 B(c1cc(ccc1Cl)C=O)(O)O TS15360 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.453 B(c1cc(ccc1F)C=O)(O)O TS46402 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.453 CC(=O)c1cc(ccc1O)C#N TS08802 [0,1,0,0,0,0|2,0,1]=4 300 B12R1.453 CC(=O)c1cc(ccc1O)OC TS01830 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.453 CCc1ccc(c(c1)C(=O)C)O TS42737 [0,1,0,0,0,0|2,0,1]=4 302 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])C=O TS60062 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.453 c1cc(c(cc1C=O)C(=O)O)F TS39276 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O TS71559 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])Br TS70975 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])Cl TS02858 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])F TS59513 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])O TS03120 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.654 COc1c(ccc(c1F)C#N)F TS02126 [0,1,0,0,0,0|2,0,1]=4 310 B12R1.654 c1cc(c(c(c1N=O)O)N=O)O TS12461 [0,1,0,0,0,0|3,0,0]=4 311 B12R2.44 C#Cc1ccc2c(c1)OCO2 TS07169 [0,0,0,1,0,0|1,0,1]=3 312 B12R2.44 c1cc(cc2c1cc[nH]2)C=O TS77184 [0,0,0,1,0,0|2,0,1]=4 313 B12R2.44 c1cc2c(cc1C#N)CCO2 TS07080 [0,0,0,1,0,0|2,0,1]=4 314 B12R2.44 c1cc2c(cc1C#N)OCO2 TS07298 [0,0,0,1,0,0|1,0,1]=3 315 B12R2.44 c1cc2c(cc1C=O)CCC2 TS07219 [0,0,0,1,0,0|2,0,0]=3 316 B12R2.44 c1cc2c(cc1C=O)CCO2 TS00573 [0,0,0,1,0,0|1,0,0]=2 317 B12R2.44 c1cc2c(cc1C=O)OCO2 TS39812 [0,0,0,1,0,0|0,0,0]=1 318 B12R2.44 c1cc2c(cc1C=O)cn[nH]2 TS08693 [0,0,0,1,0,0|3,0,0]=4 319 B12R2.44 c1cc2c(cc1C=O)nc[nH]2 TS77183 [0,0,0,1,0,0|2,0,1]=4 320 B12R2.44 c1cc2c(cc1C=O)nno2 TS40601 [0,0,0,1,0,0|2,0,0]=3 321 B12R2.44 c1cc2c(cc1C=O)nns2 TS42725 [0,0,0,1,0,0|2,1,0]=4 322 B12R2.44 c1cc2c(cc1C=O)nsn2 TS85322 [0,0,0,1,0,0|3,0,0]=4 323 B12R2.44 c1cc2c(cc1CCl)CCO2 TS12611 [0,0,0,1,0,0|2,0,1]=4 324 B12R2.44 c1cc2c(cc1CCl)OCO2 TS12912 [0,0,0,1,0,0|1,0,1]=3 325 B12R2.44 c1cc2c(cc1CN)OCO2 TS41008 [0,0,0,1,0,0|1,0,1]=3 326 B12R2.44 c1cc2c(cc1CO)CCO2 TS09874 [0,0,0,1,0,0|1,0,2]=4 327 B12R2.44 c1cc2c(cc1CO)OCO2 TS10142 [0,0,0,1,0,0|0,0,2]=3 328 B12R2.44 c1cc2c(cc1[Mg]Br)OCO2 TS52204 [0,0,0,1,0,0|2,0,0]=3 329 B12R2.44 c1cc2c(cc[nH]2)cc1C=O TS01495 [0,0,0,1,0,0|2,0,1]=4 330 B12R2.44 c1cc2c(cco2)cc1C=O TS00400 [0,0,0,1,0,0|1,0,1]=3 331 B12R2.44 c1cc2c(ccs2)cc1C=O TS42474 [0,0,0,1,0,0|1,1,1]=4 332 B12R2.44 c1cc2cn[nH]c2cc1C=O TS07200 [0,0,0,1,0,0|3,0,0]=4 333 B9R1.2 C#Cc1cccc(c1)O TS32329 [2,0,0,0,0,0|1,0,1]=4 334 B9R1.2 C=Cc1cccc(c1)Br TS48377 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.2 C=Cc1cccc(c1)F TS32503 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.2 C=Cc1cccc(c1)N TS04792 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.2 CCc1cccc(c1)Br TS32764 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.2 CCc1cccc(c1)C TS04835 [2,0,0,0,0,0|1,0,1]=4 340 B9R1.2 CCc1cccc(c1)N TS32463 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.2 CCc1cccc(c1)O TS04895 [2,0,0,0,0,0|1,0,1]=4 342 B9R1.2 CNc1cccc(c1)Br TS48829 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.2 CNc1cccc(c1)Cl TS37535 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.2 CNc1cccc(c1)F TS70598 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.2 COc1cc(=O)[nH]nc1 TS85110 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.2 COc1cc(ccn1)Cl TS03053 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.2 COc1cc(ccn1)F TS05258 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.2 COc1cc(ccn1)I TS71184 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.2 COc1cc(ccn1)N TS02966 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.2 COc1cc(cnc1)Br TS65932 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.2 COc1cc(cnc1)Cl TS06905 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.2 COc1cc(cnc1)I TS25666 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.2 COc1cc(cnc1)N TS55470 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.2 COc1cc(cnc1)N TS89352 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.2 COc1cc(cnc1)O TS55469 [2,0,0,0,0,0|1,0,1]=4 356 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [2,0,0,0,0,0|1,0,0]=3 357 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [2,0,0,0,0,0|1,0,1]=4 358 B9R1.2 COc1cccc(c1)Br TS00028 [2,0,0,0,0,0|1,0,0]=3 359 B9R1.2 COc1cccc(c1)Cl TS37686 [2,0,0,0,0,0|1,0,0]=3 360 B9R1.2 COc1cccc(c1)F TS70591 [2,0,0,0,0,0|1,0,0]=3 361 B9R1.2 COc1cccc(c1)I TS39445 [2,0,0,0,0,0|1,0,0]=3 362 B9R1.2 COc1cccc(c1)N TS02081 [2,0,0,0,0,0|1,0,0]=3 363 B9R1.2 COc1cccc(c1)N TS11191 [2,0,0,0,0,0|1,0,0]=3 364 B9R1.2 COc1cccc(c1)O TS39714 [2,0,0,0,0,0|0,0,1]=3 365 B9R1.2 COc1cccc(c1)S TS70650 [2,0,0,0,0,0|0,1,0]=3 366 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [2,0,0,0,0,0|1,0,0]=3 367 B9R1.2 COc1cccc(n1)Br TS08366 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.2 COc1cccc(n1)Cl TS55270 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.2 COc1cccc(n1)I TS56597 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.2 COc1cccc(n1)O TS05074 [2,0,0,0,0,0|1,0,1]=4 371 B9R1.2 COc1ccnc(c1)Br TS08328 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.2 COc1ccnc(c1)Cl TS55226 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.2 COc1ccnc(c1)N TS47406 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.2 CSc1cccc(c1)Br TS60340 [2,0,0,0,0,0|1,1,0]=4 375 B9R1.2 CSc1cccc(c1)Cl TS42003 [2,0,0,0,0,0|1,1,0]=4 376 B9R1.2 CSc1cccc(c1)F TS60012 [2,0,0,0,0,0|1,1,0]=4 377 B9R1.2 CSc1cccc(c1)I TS27987 [2,0,0,0,0,0|1,1,0]=4 378 B9R1.2 CSc1cccc(c1)N TS02674 [2,0,0,0,0,0|1,1,0]=4 379 B9R1.2 Cc1cc(ccn1)C=O TS02448 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.2 Cc1cc(cnc1)C=O TS01158 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.2 Cc1cc(cnc1)OC TS04960 [2,0,0,0,0,0|1,0,1]=4 382 B9R1.2 Cc1cccc(c1)C#C TS32229 [2,0,0,0,0,0|1,0,1]=4 383 B9R1.2 Cc1cccc(c1)C#N TS02843 [2,0,0,0,0,0|1,0,1]=4 384 B9R1.2 Cc1cccc(c1)C=C TS70680 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.2 Cc1cccc(c1)CBr TS00037 [2,0,0,0,0,0|1,0,1]=4 386 B9R1.2 Cc1cccc(c1)CCl TS37460 [2,0,0,0,0,0|1,0,1]=4 387 B9R1.2 Cc1cccc(c1)CN TS04866 [2,0,0,0,0,0|1,0,1]=4 388 B9R1.2 Cc1cccc(c1)CO TS04903 [2,0,0,0,0,0|0,0,2]=4 389 B9R1.2 Cc1cccc(c1)CS TS06306 [2,0,0,0,0,0|0,1,1]=4 390 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [2,0,0,0,0,0|1,0,1]=4 391 B9R1.2 Cc1cccc(c1)NC TS32467 [2,0,0,0,0,0|1,0,1]=4 392 B9R1.2 Cc1cccc(c1)NN TS04918 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.2 Cc1cccc(c1)NN TS41997 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.2 Cc1cccc(c1)OC TS32509 [2,0,0,0,0,0|0,0,1]=3 395 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.2 Cc1cccc(n1)C=C TS04794 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.2 Cc1cccc(n1)C=O TS85261 [2,0,0,0,0,0|1,0,0]=3 399 B9R1.2 Cc1cccc(n1)OC TS00087 [2,0,0,0,0,0|1,0,1]=4 400 B9R1.2 Cc1ccnc(c1)C=O TS03178 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.2 Cc1ccnc(c1)OC TS04955 [2,0,0,0,0,0|1,0,1]=4 402 B9R1.2 Cc1ccnc(n1)C=O TS90032 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.2 Cc1nccc(n1)C=O TS02450 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.2 c1c(cncc1Br)C=O TS16988 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.2 c1c(cncc1Cl)C=O TS37528 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.2 c1c(cncc1F)C=O TS03322 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.2 c1c(cncc1I)C=O TS25323 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [2,0,0,0,0,0|1,0,0]=3 410 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [2,0,0,0,0,0|1,0,0]=3 412 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [2,0,0,0,0,0|1,0,1]=4 415 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [2,0,0,0,0,0|0,0,0]=2 416 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [2,0,0,0,0,0|1,0,1]=4 417 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [2,0,0,0,0,0|1,0,1]=4 418 B9R1.2 c1cc(cc(c1)O)CO TS32602 [2,0,0,0,0,0|0,0,2]=4 419 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.2 c1cnc(cc1Br)C=O TS71011 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.2 c1cnc(cc1C=O)Br TS00862 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.2 c1cnc(cc1C=O)F TS01027 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.2 c1cnc(cc1C=O)N TS32497 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.2 c1cnc(cc1C=O)O TS55404 [2,0,0,0,0,0|1,0,0]=3 428 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.15 C#Cc1ccccc1O TS55318 [2,0,0,0,0,0|1,0,1]=4 430 B9R1.15 CCc1ccccc1Br TS15420 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.15 CCc1ccccc1C TS16337 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.15 CCc1ccccc1Cl TS37450 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.15 CCc1ccccc1I TS25157 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.15 CCc1ccccc1N TS32474 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.15 CCc1ccccc1O TS04900 [2,0,0,0,0,0|1,0,0]=3 436 B9R1.15 CCc1ccccc1S TS06304 [2,0,0,0,0,0|1,1,0]=4 437 B9R1.15 CNc1ccccc1Cl TS37531 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.15 CNc1ccccc1F TS56413 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.15 CNc1ccccc1N TS01587 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.15 CNc1ccccc1N TS41998 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.15 CNc1ccccc1N TS60152 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.15 CNc1ccccc1O TS04968 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.15 COc1c(cccn1)Br TS65905 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.15 COc1c(cccn1)Cl TS65976 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.15 COc1c(cccn1)F TS36212 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.15 COc1c(cccn1)I TS02808 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.15 COc1c(cccn1)N TS02635 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.15 COc1ccccc1Br TS00023 [2,0,0,0,0,0|1,0,0]=3 449 B9R1.15 COc1ccccc1Cl TS37688 [2,0,0,0,0,0|1,0,0]=3 450 B9R1.15 COc1ccccc1F TS60288 [2,0,0,0,0,0|1,0,0]=3 451 B9R1.15 COc1ccccc1I TS09308 [2,0,0,0,0,0|1,0,0]=3 452 B9R1.15 COc1ccccc1N TS29238 [2,0,0,0,0,0|1,0,0]=3 453 B9R1.15 COc1ccccc1N TS59329 [2,0,0,0,0,0|1,0,0]=3 454 B9R1.15 COc1ccccc1P TS06425 [2,0,0,0,0,0|1,0,0]=3 455 B9R1.15 COc1ccccc1S TS37393 [2,0,0,0,0,0|0,1,0]=3 456 B9R1.15 COc1ccccc1[Zn+] TS74540 [2,0,0,0,0,0|1,0,0]=3 457 B9R1.15 COc1cccnc1Br TS08305 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.15 COc1cccnc1Cl TS55198 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.15 COc1cccnc1I TS25665 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.15 COc1cccnc1N TS47373 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.15 COc1cccnc1O TS55383 [2,0,0,0,0,0|1,0,0]=3 462 B9R1.15 COc1ccncc1Br TS09454 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.15 COc1ccncc1I TS02810 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.15 COc1ccncc1N TS65861 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.15 CSc1ccccc1Br TS19526 [2,0,0,0,0,0|1,1,0]=4 466 B9R1.15 CSc1ccccc1Cl TS42002 [2,0,0,0,0,0|1,1,0]=4 467 B9R1.15 CSc1ccccc1F TS06689 [2,0,0,0,0,0|1,1,0]=4 468 B9R1.15 CSc1ccccc1I TS27990 [2,0,0,0,0,0|1,1,0]=4 469 B9R1.15 CSc1ccccc1O TS37395 [2,0,0,0,0,0|0,1,0]=3 470 B9R1.15 CSc1ccccc1[Zn+] TS76795 [2,0,0,0,0,0|1,1,0]=4 471 B9R1.15 Cc1c(cccn1)OC TS04964 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.15 Cc1ccccc1NC TS32471 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.15 Cc1ccccc1OC TS32508 [2,0,0,0,0,0|1,0,0]=3 474 B9R1.15 Cc1cccnc1OC TS04965 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.15 c1ccc(c(c1)CN)O TS04954 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.15 c1ccc(c(c1)CO)O TS32604 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [2,0,0,0,0,0|1,0,1]=4 482 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [2,0,0,0,0,0|1,0,1]=4 483 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [2,0,0,0,0,0|0,0,1]=3 484 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.69 Cc1cc(ccc1Br)F TS85460 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.69 Cc1cc(ccc1Br)I TS08348 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.69 Cc1cc(ccc1Br)N TS09584 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.69 Cc1cc(ccc1Br)O TS09587 [2,0,0,0,0,0|1,0,1]=4 490 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [2,0,0,0,0,0|1,0,1]=4 496 B9R1.69 Cc1cc(ccc1F)Br TS16784 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.69 Cc1cc(ccc1F)F TS22993 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.69 Cc1cc(ccc1F)I TS65051 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.69 Cc1cc(ccc1F)N TS36056 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.69 Cc1cc(ccc1F)O TS71121 [2,0,0,0,0,0|1,0,1]=4 502 B9R1.69 Cc1cc(ccc1F)S TS06691 [2,0,0,0,0,0|1,1,0]=4 503 B9R1.69 Cc1cc(ccc1I)Br TS59717 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.69 Cc1cc(ccc1I)F TS71539 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.69 Cc1cc(ccc1I)I TS78661 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.69 Cc1cc(ccc1N)Br TS23566 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.69 Cc1cc(ccc1N)Br TS93925 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.69 Cc1cc(ccc1N)I TS71186 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.69 Cc1cc(ccc1N)N TS00178 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.69 Cc1cc(ccc1N)N TS17999 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.69 Cc1cc(ccc1N)N TS23083 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.69 Cc1cc(ccc1N)O TS02998 [2,0,0,0,0,0|1,0,1]=4 516 B9R1.69 Cc1cc(ccc1O)Br TS01121 [2,0,0,0,0,0|1,0,0]=3 517 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [2,0,0,0,0,0|1,0,0]=3 518 B9R1.69 Cc1cc(ccc1O)F TS09704 [2,0,0,0,0,0|1,0,0]=3 519 B9R1.69 Cc1cc(ccc1O)I TS53550 [2,0,0,0,0,0|1,0,0]=3 520 B9R1.69 Cc1cc(ccc1O)N TS08867 [2,0,0,0,0,0|1,0,0]=3 521 B9R1.69 Cc1cc(ccc1O)O TS32600 [2,0,0,0,0,0|0,0,1]=3 522 B9R1.69 Cc1cc(ccc1O)S TS70667 [2,0,0,0,0,0|0,1,0]=3 523 B9R1.69 Cc1cc(cnc1O)Br TS01048 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 Cc1cc(cnc1O)I TS25667 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 Cc1cc(cnc1O)N TS05009 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [2,0,0,0,0,0|1,0,1]=4 528 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [2,0,0,0,0,0|1,0,1]=4 529 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [2,0,0,0,0,0|1,0,1]=4 530 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [2,0,0,0,0,0|1,0,1]=4 531 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [2,0,0,0,0,0|1,0,1]=4 532 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [2,0,0,0,0,0|1,0,1]=4 533 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [2,0,0,0,0,0|1,0,1]=4 534 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [2,0,0,0,0,0|1,0,1]=4 535 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [2,0,0,0,0,0|0,0,1]=3 536 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [2,0,0,0,0,0|0,1,1]=4 537 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [2,0,0,0,0,0|0,1,1]=4 538 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [2,0,0,0,0,0|1,0,1]=4 539 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [2,0,0,0,0,0|1,0,1]=4 540 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [2,0,0,0,0,0|1,0,1]=4 541 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [2,0,0,0,0,0|1,0,1]=4 542 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [2,0,0,0,0,0|1,0,1]=4 543 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [2,0,0,0,0,0|1,0,1]=4 544 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [2,0,0,0,0,0|1,0,1]=4 545 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [2,0,0,0,0,0|0,0,1]=3 546 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [2,0,0,0,0,0|1,0,1]=4 547 B9R1.69 Cc1ccc(cc1C)Br TS39736 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.69 Cc1ccc(cc1C)F TS65457 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.69 Cc1ccc(cc1C)I TS25161 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.69 Cc1ccc(cc1C)N TS32462 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.69 Cc1ccc(cc1C)O TS00123 [2,0,0,0,0,0|1,0,1]=4 553 B9R1.69 Cc1ccc(cc1C)S TS06303 [2,0,0,0,0,0|1,1,0]=4 554 B9R1.69 Cc1ccc(cc1O)Br TS09797 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.69 Cc1ccc(cc1O)F TS65133 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.69 Cc1ccc(cc1O)O TS65139 [2,0,0,0,0,0|1,0,1]=4 558 B9R1.69 c1c(c(c[nH]c1=O)Cl)O TS07137 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [2,0,0,0,0,0|2,0,0]=4 567 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [2,0,0,0,0,0|1,0,0]=3 569 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [2,0,0,0,0,0|2,0,0]=4 571 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [2,0,0,0,0,0|2,0,0]=4 572 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [2,0,0,0,0,0|2,0,0]=4 573 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [2,0,0,0,0,0|2,0,0]=4 574 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [2,0,0,0,0,0|2,0,0]=4 575 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [2,0,0,0,0,0|2,0,0]=4 577 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [2,0,0,0,0,0|2,0,0]=4 578 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [2,0,0,0,0,0|1,0,0]=3 579 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [2,0,0,0,0,0|2,0,0]=4 580 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [2,0,0,0,0,0|2,0,0]=4 581 B9R1.69 c1cc(c(cc1F)F)O TS00636 [2,0,0,0,0,0|2,0,0]=4 582 B9R1.69 c1cc(c(cc1F)N)O TS00753 [2,0,0,0,0,0|2,0,0]=4 583 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [2,0,0,0,0,0|2,0,0]=4 584 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [2,0,0,0,0,0|2,0,0]=4 585 B9R1.69 c1cc(c(cc1F)O)F TS36449 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.69 c1cc(c(cc1F)O)N TS36211 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.69 c1cc(c(cc1F)O)O TS39506 [2,0,0,0,0,0|1,0,0]=3 588 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [2,0,0,0,0,0|2,0,0]=4 590 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.69 c1cc(c(cc1N)F)O TS02963 [2,0,0,0,0,0|2,0,0]=4 592 B9R1.69 c1cc(c(cc1N)I)O TS25670 [2,0,0,0,0,0|2,0,0]=4 593 B9R1.69 c1cc(c(cc1N)N)O TS53804 [2,0,0,0,0,0|2,0,0]=4 594 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [2,0,0,0,0,0|2,0,0]=4 595 B9R1.69 c1cc(c(cc1N)O)O TS20087 [2,0,0,0,0,0|1,0,0]=3 596 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [2,0,0,0,0,0|1,0,1]=4 597 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [2,0,0,0,0,0|1,0,1]=4 598 B9R1.69 c1cc(c(cc1O)F)O TS85396 [2,0,0,0,0,0|1,0,1]=4 599 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [2,0,0,0,0,0|1,0,1]=4 600 B9R1.69 c1cc(c(cc1O)O)F TS71140 [2,0,0,0,0,0|1,0,1]=4 601 B9R1.69 c1cc(c(cc1O)O)N TS42356 [2,0,0,0,0,0|1,0,1]=4 602 B9R1.69 c1cc(c(cc1O)O)O TS05134 [2,0,0,0,0,0|0,0,1]=3 603 B9R1.1 C#Cc1ccc(cc1)O TS71112 [2,0,0,0,0,0|1,0,1]=4 604 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|2,0,0]=4 605 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|2,0,0]=4 606 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|2,0,0]=4 607 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|2,0,0]=4 608 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|1,0,0]=3 609 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|1,0,1]=4 610 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|2,0,0]=4 611 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|2,0,0]=4 612 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|2,0,0]=4 613 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|2,0,0]=4 614 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|2,0,0]=4 615 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|1,0,0]=3 616 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|2,0,0]=4 617 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.1 c1cc(ccc1C#N)O TS03063 [2,0,0,0,0,0|1,0,1]=4 619 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|1,0,0]=3 620 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|1,0,0]=3 621 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|1,0,0]=3 622 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|1,0,0]=3 623 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|1,0,0]=3 624 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|1,0,0]=3 625 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|0,0,0]=2 626 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|0,0,0]=2 627 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|1,0,1]=4 628 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|1,0,1]=4 629 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|1,0,1]=4 630 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|0,0,2]=4 631 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|1,0,0]=3 632 B9R1.1 c1cc(ncc1Br)C=O TS71427 [2,0,0,0,0,0|2,0,0]=4 633 B9R1.1 c1cc(ncc1C=O)Br TS16478 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [2,0,0,0,0,0|2,0,0]=4 635 B9R1.1 c1cc(ncc1C=O)F TS01040 [2,0,0,0,0,0|2,0,0]=4 636 B9R1.1 c1cc(ncc1C=O)N TS87752 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|1,0,0]=3 638 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.1 c1cc(ncc1F)C=O TS60090 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|1,0,0]=3 641 B9R1.1 c1cn(=O)ccc1C=O TS32549 [2,0,0,0,0,0|1,0,1]=4 642 B11R1.8 COc1cc(cc(c1Cl)F)F TS14300 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.8 COc1cc(cc(c1F)F)Br TS50250 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.8 Cc1cc(c(c(c1)OC)C)C TS09917 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.8 Cc1cc(cc(c1I)OC)Cl TS54569 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.8 Cc1cc(cc(c1O)OC)Br TS86158 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.37 COc1cc(ccc1C#N)Br TS70958 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.37 COc1cc(ccc1C#N)F TS60398 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.37 COc1cc(ccc1C=O)F TS09700 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.37 COc1cc(ccc1C=O)O TS71152 [1,1,0,0,0,0|0,0,2]=4 651 B11R1.37 COc1cc(ccc1CCl)F TS13587 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.37 COc1cc(ccc1CO)F TS10664 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.37 COc1cc(cnc1OC)Br TS49352 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.37 COc1ccc(cc1OC)Br TS09621 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.37 COc1ccc(cc1OC)F TS41604 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.37 COc1ccc(cc1OC)I TS68773 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.37 COc1ccc(cc1OC)N TS02553 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.37 COc1ccc(cc1OC)N TS16248 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.37 COc1ccc(cc1OC)O TS65454 [1,1,0,0,0,0|0,0,1]=3 660 B11R1.37 COc1ccc(cc1OC)S TS12826 [1,1,0,0,0,0|0,1,0]=3 661 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [1,1,0,0,0,0|0,0,1]=3 662 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl TS21188 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.72 COc1c(ccc(c1Cl)F)F TS65393 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.72 COc1c(ccc(c1F)Cl)F TS14299 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.72 COc1c(ccc(c1F)F)F TS65313 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.72 COc1c(ccc(c1F)F)N TS65748 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.72 Cc1c(c(ccn1=O)Cl)OC TS09642 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.72 Cc1ccc(c(c1Cl)OC)F TS13599 [1,1,0,0,0,0|1,0,1]=4 669 B11R1.72 Cc1ccc(c(c1F)OC)Cl TS13588 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.72 Cc1ccc(c(c1F)OC)F TS10933 [1,1,0,0,0,0|1,0,1]=4 671 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [1,1,0,0,0,0|1,0,1]=4 675 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.167 Cc1ccc(c(c1)C(C)C)O TS40907 [1,1,0,0,0,0|1,0,1]=4 677 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.182 CCOc1cc(ccc1N)F TS51362 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.182 CCOc1cc(ccc1O)C TS10189 [1,1,0,0,0,0|0,0,1]=3 682 B11R1.182 COCc1cc(ccc1Br)F TS22533 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.182 COCc1cc(ccc1F)Br TS22532 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [1,1,0,0,0,0|0,1,1]=4 685 B11R1.277 COC1=CC(=O)C(=CC1=O)O TS10384 [1,1,0,0,0,0|0,0,1]=3 686 B11R1.277 COc1cc(c(cc1Br)F)F TS50249 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl TS21185 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.277 COc1cc(c(cc1Cl)Cl)N TS00609 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.277 COc1cc(c(cc1Cl)F)Br TS39526 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.277 Cc1cc(c(cc1Br)Br)OC TS54286 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [1,1,0,0,0,0|1,0,1]=4 692 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.277 Cc1cc(c(cc1Cl)OC)N TS03050 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.9 COc1cc(cc(c1)Br)C#N TS09340 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.9 COc1cc(cc(c1)Br)OC TS59899 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.9 COc1cc(cc(c1)Cl)C=O TS12931 [1,1,0,0,0,0|0,0,0]=2 698 B11R1.9 COc1cc(cc(c1)Cl)CBr TS25795 [1,1,0,0,0,0|1,0,1]=4 699 B11R1.9 COc1cc(cc(c1)Cl)CO TS45568 [1,1,0,0,0,0|0,0,2]=4 700 B11R1.9 COc1cc(cc(c1)Cl)OC TS09202 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.9 COc1cc(cc(c1)F)C#N TS09381 [1,1,0,0,0,0|1,0,1]=4 702 B11R1.9 COc1cc(cc(c1)F)C=O TS59691 [1,1,0,0,0,0|0,0,0]=2 703 B11R1.9 COc1cc(cc(c1)F)CBr TS00150 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.9 COc1cc(cc(c1)F)OC TS02366 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.9 COc1cc(cc(c1)I)OC TS65282 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.9 COc1cc(cc(c1)OC)N TS02595 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.9 COc1cc(cc(c1)OC)O TS02598 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.9 COc1cc(cc(c1)S)OC TS65763 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.9 COc1cc(cc(n1)Cl)C=O TS13070 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.9 Cc1cc(cc(c1)C=O)C=O TS07419 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.9 Cc1cc(cc(c1)OC)C#N TS07326 [1,1,0,0,0,0|1,0,1]=4 712 B11R1.9 Cc1cc(cc(c1)OC)OC TS02600 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.9 c1c(cc(cc1C#N)F)C=O TS40713 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.189 CCOc1cccc(c1)C=O TS09862 [1,1,0,0,0,0|0,0,0]=2 715 B11R1.189 CCOc1cccc(c1)CO TS41134 [1,1,0,0,0,0|0,0,2]=4 716 B11R1.189 CCc1cccc(c1)N=C=O TS07339 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.189 CNCc1cccc(c1)OC TS41039 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.189 COc1cccc(c1)CCN TS02822 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.189 COc1cccc(c1)CCO TS41136 [1,1,0,0,0,0|0,0,2]=4 720 B11R1.189 COc1cccc(c1)CNN TS88044 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.189 COc1cccc(c1)CO[NH3+] TS16252 [1,1,0,0,0,0|0,0,2]=4 722 B11R1.189 COc1cccc(c1)N=C=O TS40722 [1,1,0,0,0,0|0,0,1]=3 723 B11R1.189 COc1cccc(c1)N=C=S TS42924 [1,1,0,0,0,0|0,1,1]=4 724 B11R1.189 CSc1cccc(c1)N=C=O TS42922 [1,1,0,0,0,0|0,1,1]=4 725 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl TS43152 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.266 B(c1cccc(c1)OC)(O)O TS02824 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.266 C#Cc1cccc(c1)C(=O)O TS70561 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.266 C=Cc1cccc(c1)C(=O)O TS07411 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.266 CC(=O)c1cccc(c1)C#C TS40169 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.266 CC(=O)c1cccc(c1)C#N TS65829 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.266 CC(=O)c1cccc(c1)CCl TS12614 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [1,1,0,0,0,0|0,0,0]=2 733 B11R1.266 CC(=O)c1cccc(n1)C=O TS40719 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.266 CC(=O)c1cccc(n1)OC TS08252 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.266 CC(c1cccc(c1)OC)O TS41146 [1,1,0,0,0,0|0,0,2]=4 736 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.266 CCc1cccc(c1)C(=S)N TS12084 [1,1,0,0,0,0|1,1,0]=4 739 B11R1.266 CCc1cccc(c1)[N+](=O)[O-] TS41018 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.266 CCc1ccnc(c1)C(=O)O TS15879 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.266 CN(C)c1cccc(c1)OC TS10068 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [1,1,0,0,0,0|1,0,0]=3 743 B11R1.266 COc1cc(ccn1)C(=O)N TS41124 [1,1,0,0,0,0|1,0,0]=3 744 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.266 COc1cc(cnc1)C(=O)N TS10158 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.266 COc1cccc(c1)C(=N)N TS02820 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [1,1,0,0,0,0|0,0,0]=2 749 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [1,1,0,0,0,0|0,0,0]=2 750 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [1,1,0,0,0,0|0,0,0]=2 751 B11R1.266 COc1cccc(c1)C(=S)N TS12416 [1,1,0,0,0,0|0,1,0]=3 752 B11R1.266 COc1cccc(c1)[N+](=O)[O-] TS41249 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.266 COc1cccc(n1)C(=O)N TS41105 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.266 COc1cccc(n1)C(=O)O TS55620 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.266 COc1ccnc(c1)C(=O)N TS41108 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.266 COc1ccnc(c1)C(=O)O TS03161 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.266 COc1ccnc(c1)C(=O)O TS50978 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [1,1,0,0,0,0|0,1,0]=3 759 B11R1.266 CSc1cccc(c1)[N+](=O)[O-] TS45013 [1,1,0,0,0,0|1,1,0]=4 760 B11R1.266 C[C@@H](c1cccc(c1)OC)N TS08650 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.266 C[C@H](c1cccc(c1)OC)N TS59481 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.266 c1cc(cc(c1)C(=N)N)C=O TS02777 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N TS66019 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl TS09440 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.266 c1cc(cc(c1)C(=O)N)C#N TS07199 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.266 c1cc(cc(c1)C(=O)N)CCl TS02187 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.266 c1cc(cc(c1)C(=O)O)C#N TS01790 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.266 c1cc(cc(c1)C(=O)O)C=O TS02778 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.266 c1cc(cc(c1)N=O)C(=O)N TS40819 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.266 c1cc(cc(c1)NN)C(=O)O TS10146 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])C=O TS39720 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.267 COc1c(c(ccn1)C=O)Cl TS07742 [1,1,0,0,0,0|1,0,0]=3 778 B11R1.267 COc1cccc(c1Br)OC TS49206 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.267 COc1cccc(c1Cl)OC TS09253 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.267 COc1cccc(c1F)C#N TS09288 [1,1,0,0,0,0|1,0,1]=4 781 B11R1.267 COc1cccc(c1F)C=O TS55328 [1,1,0,0,0,0|0,0,0]=2 782 B11R1.267 COc1cccc(c1N)C#N TS40629 [1,1,0,0,0,0|1,0,1]=4 783 B11R1.267 COc1cccc(c1N)OC TS47315 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.267 COc1cccc(c1O)C#N TS40729 [1,1,0,0,0,0|1,0,1]=4 785 B11R1.267 COc1cccc(c1O)CO TS10414 [1,1,0,0,0,0|0,0,2]=4 786 B11R1.267 COc1cccc(c1O)OC TS10409 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.267 c1cc(c(c(c1)C#N)Cl)C=O TS42966 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.267 c1cc(c(c(c1)C=O)Br)C=O TS44285 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.267 c1cc(c(c(c1)C=O)Cl)CF TS13267 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.267 c1cc(c(c(c1)C=O)O)C=O TS07651 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.14 Cc1cc(cc(c1Br)C)C=O TS09568 [1,1,0,0,0,0|1,0,0]=3 792 B11R1.14 Cc1cc(cc(c1O)C)C#N TS02367 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.14 Cc1cc(cc(c1O)C)C=O TS40860 [1,1,0,0,0,0|0,0,0]=2 794 B11R1.14 Cc1cc(cc(c1O)C)N=O TS40998 [1,1,0,0,0,0|1,0,0]=3 795 B11R1.14 Cc1cc(cc(c1O)Cl)C#N TS85977 [1,1,0,0,0,0|1,0,1]=4 796 B11R1.14 c1c(cc(c(c1Br)O)Br)C=O TS34165 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.14 c1c(cc(c(c1Cl)O)Cl)C=O TS17214 [1,1,0,0,0,0|1,0,0]=3 798 B11R1.14 c1c(cc(c(c1F)F)F)C=O TS02517 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.14 c1c(cc(c(c1F)O)F)C=O TS02196 [1,1,0,0,0,0|1,0,0]=3 800 B11R1.14 c1c(cc(c(c1I)O)I)C=O TS66954 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.14 c1c(cc(c(c1O)O)Br)C=O TS22885 [1,1,0,0,0,0|0,0,0]=2 802 B11R1.14 c1c(cc(c(c1O)O)Cl)C=O TS13253 [1,1,0,0,0,0|0,0,0]=2 803 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [1,1,0,0,0,0|1,0,0]=3 812 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [1,1,0,0,0,0|0,0,0]=2 815 B11R1.21 CC(C)c1ccc(c(c1)O)O TS41153 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [1,1,0,0,0,0|1,0,0]=3 818 B11R1.21 Cc1cc(ccc1Br)[N+](=O)[O-] TS85255 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.21 Cc1cc(ccc1Cl)[N+](=O)[O-] TS13068 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [1,1,0,0,0,0|1,0,0]=3 823 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [1,1,0,0,0,0|1,0,0]=3 824 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [1,1,0,0,0,0|1,0,0]=3 825 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] TS01018 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [1,1,0,0,0,0|1,0,0]=3 828 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] TS68683 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [1,1,0,0,0,0|1,0,0]=3 830 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] TS01124 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [1,1,0,0,0,0|0,0,0]=2 832 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [1,1,0,0,0,0|0,0,0]=2 833 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [1,1,0,0,0,0|1,0,0]=3 834 B11R1.21 Cc1cc(cnc1O)[N+](=O)[O-] TS55385 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [1,1,0,0,0,0|1,0,0]=3 841 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [1,1,0,0,0,0|1,0,0]=3 842 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [1,1,0,0,0,0|1,0,0]=3 843 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [1,1,0,0,0,0|1,0,0]=3 844 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [1,1,0,0,0,0|1,1,0]=4 845 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [1,1,0,0,0,0|1,0,0]=3 855 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [1,1,0,0,0,0|1,0,0]=3 856 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [1,1,0,0,0,0|1,0,1]=4 858 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [1,1,0,0,0,0|2,0,0]=4 865 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [1,1,0,0,0,0|0,0,0]=2 871 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [1,1,0,0,0,0|1,0,0]=3 880 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [1,1,0,0,0,0|1,0,0]=3 886 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [1,1,0,0,0,0|1,0,0]=3 891 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [1,1,0,0,0,0|1,0,0]=3 897 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [1,1,0,0,0,0|1,0,0]=3 898 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [1,1,0,0,0,0|1,0,0]=3 899 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [1,1,0,0,0,0|1,0,0]=3 900 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [1,1,0,0,0,0|1,0,0]=3 901 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [1,1,0,0,0,0|1,0,0]=3 902 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [1,1,0,0,0,0|0,0,0]=2 903 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [1,1,0,0,0,0|1,1,0]=4 904 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [1,1,0,0,0,0|0,0,0]=2 906 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O TS55107 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O TS00892 [1,1,0,0,0,0|2,0,0]=4 908 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)O TS02010 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS00757 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS13773 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl TS00923 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F TS01016 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)N TS47449 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [1,1,0,0,0,0|1,0,0]=3 915 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.192 Cc1cc(ccc1O)SC#N TS42915 [1,1,0,0,0,0|1,0,1]=4 917 B11R1.192 Cc1ccc(cc1C)C=NO TS07573 [1,1,0,0,0,0|1,0,1]=4 918 B11R1.192 Cc1ccc(cc1C)N=C=O TS40533 [1,1,0,0,0,0|1,0,1]=4 919 B11R1.192 c1cc(c(cc1C=NO)O)O TS41241 [1,1,0,0,0,0|0,0,1]=3 920 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [1,1,0,0,0,0|1,0,1]=4 921 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [1,1,0,0,0,0|1,0,1]=4 922 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [1,1,0,0,0,0|1,0,1]=4 923 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [1,1,0,0,0,0|0,0,2]=4 924 B11R1.278 Cc1c(ccc(c1F)C=O)F TS32890 [1,1,0,0,0,0|1,0,0]=3 925 B11R1.278 Cc1c(ccc(c1F)F)C=O TS10657 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [1,1,0,0,0,0|0,0,0]=2 927 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.278 c1cc(c(c(c1C#N)O)O)O TS09999 [1,1,0,0,0,0|1,0,1]=4 930 B11R1.278 c1cc(c(c(c1C=O)Cl)Cl)O TS60227 [1,1,0,0,0,0|1,0,0]=3 931 B11R1.278 c1cc(c(c(c1C=O)F)Cl)F TS13933 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.278 c1cc(c(c(c1C=O)F)F)Br TS23219 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.278 c1cc(c(c(c1C=O)F)F)F TS00532 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.278 c1cc(c(c(c1C=O)F)F)I TS30479 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [1,1,0,0,0,0|0,0,0]=2 936 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [1,1,0,0,0,0|1,0,0]=3 941 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [1,1,0,0,0,0|1,0,0]=3 942 B11R1.279 COc1ccc(cc1I)C=O TS08986 [1,1,0,0,0,0|1,0,0]=3 943 B11R1.279 COc1ccc(cc1O)C#N TS70607 [1,1,0,0,0,0|1,0,1]=4 944 B11R1.279 COc1ccc(cc1O)C=O TS70606 [1,1,0,0,0,0|0,0,0]=2 945 B11R1.279 COc1ccc(cc1O)CN TS16250 [1,1,0,0,0,0|1,0,1]=4 946 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|0,0,2]=4 947 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [1,1,0,0,0,0|0,0,0]=2 948 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [1,1,0,0,0,0|1,0,1]=4 949 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [1,1,0,0,0,0|0,0,2]=4 950 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.279 c1cc(c(cc1C=O)F)C#N TS39660 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [1,1,0,0,0,0|1,0,1]=4 953 B11R1.64 COc1c(csc1Br)C(=O)Cl TS67770 [0,1,0,0,1,0|2,0,0]=4 954 B11R1.64 COc1c(csc1Br)C(=O)O TS60078 [0,1,0,0,1,0|2,0,0]=4 955 B11R1.64 COc1c(csc1Cl)C(=O)Cl TS21077 [0,1,0,0,1,0|2,0,0]=4 956 B11R1.64 COc1c(csc1Cl)C(=O)O TS07711 [0,1,0,0,1,0|2,0,0]=4 957 B13R1.13 CC(=O)c1cc(ccc1O)[N+](=O)[O-] TS39990 [0,2,0,0,0,0|2,0,0]=4 958 B13R1.13 CC(=O)c1ccc(c(c1)C(=O)N)O TS47693 [0,2,0,0,0,0|2,0,0]=4 959 B13R1.13 CC(=O)c1ccc(c(c1)C(=O)O)O TS47856 [0,2,0,0,0,0|2,0,0]=4 960 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O TS03119 [0,2,0,0,0,0|2,0,0]=4 961 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)O)O TS71174 [0,2,0,0,0,0|2,0,0]=4 962 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])O TS39750 [0,2,0,0,0,0|2,0,0]=4 963 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O TS14589 [0,2,0,0,0,0|0,0,0]=2 964 B13R1.49 CCc1cc(ccc1O)C(=O)OC TS14618 [0,2,0,0,0,0|1,0,0]=3 965 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O TS14540 [0,2,0,0,0,0|2,0,0]=4 966 B13R1.49 COc1cc(ccc1I)C(=O)OC TS58253 [0,2,0,0,0,0|1,0,0]=3 967 B13R1.49 COc1cc(ccc1N)C(=O)OC TS08591 [0,2,0,0,0,0|1,0,0]=3 968 B13R1.49 COc1cc(ccc1O)C(=O)NN TS14937 [0,2,0,0,0,0|0,0,0]=2 969 B13R1.49 COc1cc(ccc1O)C(=O)OC TS16566 [0,2,0,0,0,0|0,0,0]=2 970 B13R1.49 COc1cc(ccc1O)C(CO)O TS82469 [0,2,0,0,0,0|0,0,2]=4 971 B13R1.49 COc1cc(cnc1N)C(=O)OC TS14944 [0,2,0,0,0,0|2,0,0]=4 972 B13R1.49 Cc1ccc(cc1OC)C(=O)OC TS59795 [0,2,0,0,0,0|1,0,0]=3 973 B13R1.50 COc1cc(ccc1N)S(=O)(=O)N TS19395 [0,2,0,0,0,0|2,0,0]=4 974 B13R1.50 COc1cc(ccc1O)S(=O)(=O)[O-] TS72704 [0,2,0,0,0,0|1,0,0]=3 975 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)O TS38342 [0,2,0,0,0,0|0,0,0]=2 976 B13R1.298 COc1cc(cc(c1O)O)C(=O)O TS48528 [0,2,0,0,0,0|0,0,0]=2 977 B13R1.354 CC(=O)c1ccc(c(c1)CC=C)O TS13855 [0,2,0,0,0,0|1,0,1]=4 978 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] TS39653 [0,2,0,0,0,0|2,0,0]=4 979 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] TS46932 [0,2,0,0,0,0|2,0,0]=4 980 B13R1.651 COc1cc(c(cc1F)N)C(=O)O TS89032 [0,2,0,0,0,0|1,0,0]=3 981 B13R1.651 COc1cc(c(cc1N)Cl)[N+](=O)[O-] TS38344 [0,2,0,0,0,0|2,0,0]=4 982 B13R1.651 Cc1cc(c(cc1N=O)C(C)C)O TS55411 [0,2,0,0,0,0|2,0,0]=4 983 B13R1.651 Cc1cc(c(cc1OC)C(=O)C)O TS14575 [0,2,0,0,0,0|1,0,0]=3 984 B13R1.651 c1c(c(cc(c1[N+](=O)[O-])O)O)C=O TS48391 [0,2,0,0,0,0|2,0,0]=4 985 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O TS02559 [0,2,0,0,0,0|1,0,1]=4 986 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)OC TS85334 [0,2,0,0,0,0|2,0,0]=4 987 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC TS02552 [0,2,0,0,0,0|0,0,0]=2 988 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] TS07730 [0,2,0,0,0,0|2,0,0]=4 989 B13R1.3091 COc1cc(ccc1C=O)[N+](=O)[O-] TS14751 [0,2,0,0,0,0|1,0,1]=4 990 B13R1.3091 COc1cc(ccc1CN)C(=O)O TS48083 [0,2,0,0,0,0|1,0,0]=3 991 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] TS02015 [0,2,0,0,0,0|1,0,0]=3 992 B13R1.3091 COc1ccc(cc1OC)C(=N)N TS02554 [0,2,0,0,0,0|1,0,0]=3 993 B13R1.3091 COc1ccc(cc1OC)C(=O)Cl TS19109 [0,2,0,0,0,0|0,0,0]=2 994 B13R1.3091 COc1ccc(cc1OC)C(=O)N TS48080 [0,2,0,0,0,0|0,0,0]=2 995 B13R1.3091 COc1ccc(cc1OC)C(=O)O TS14931 [0,2,0,0,0,0|0,0,0]=2 996 B13R1.3091 COc1ccc(cc1OC)C(=S)N TS18480 [0,2,0,0,0,0|0,1,0]=3 997 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] TS15115 [0,2,0,0,0,0|1,0,0]=3 998 B13R1.3091 C[C@@H](c1ccc(c(c1)OC)OC)N TS48101 [0,2,0,0,0,0|1,0,1]=4 999 B13R1.3091 C[C@H](c1ccc(c(c1)OC)OC)N TS14810 [0,2,0,0,0,0|1,0,1]=4 1000 B13R1.3230 COc1c(ccc(c1F)C(=O)O)Br TS60383 [0,2,0,0,0,0|1,0,0]=3 1001 B13R1.3230 COc1c(ccc(c1F)C(=O)O)F TS00625 [0,2,0,0,0,0|1,0,0]=3 1002 B13R1.3230 Cc1cnc(c(c1OC)C)C(=O)O TS90760 [0,2,0,0,0,0|2,0,0]=4 1003 B13R1.99 B(c1ccc(cc1OC)OC)(O)O TS93239 [0,2,0,0,0,0|2,0,0]=4 1004 B13R1.99 COc1ccc(c(c1)OC)C(=O)O TS59920 [0,2,0,0,0,0|2,0,0]=4 1005 B13R1.355 CCOc1cc(ccc1OC)C=O TS47907 [0,2,0,0,0,0|0,0,0]=2 1006 B13R1.386 CC=Cc1ccc(c(c1)OC)OC TS47559 [0,2,0,0,0,0|1,0,0]=3 1007 B13R1.386 CCCc1ccc(c(c1)OC)OC TS47958 [0,2,0,0,0,0|1,0,1]=4 1008 B13R1.386 COc1ccc(cc1OC)C=NO TS14754 [0,2,0,0,0,0|0,0,1]=3 1009 B13R1.386 COc1ccc(cc1OC)CC=C TS47565 [0,2,0,0,0,0|1,0,0]=3 1010 B13R1.386 COc1ccc(cc1OC)CCN TS02556 [0,2,0,0,0,0|1,0,1]=4 1011 B13R1.386 COc1ccc(cc1OC)CCN TS48110 [0,2,0,0,0,0|1,0,1]=4 1012 B13R1.386 COc1ccc(cc1OC)N=C=O TS47690 [0,2,0,0,0,0|0,0,1]=3 1013 B13R1.386 COc1ccc(cc1OC)N=C=S TS52043 [0,2,0,0,0,0|0,1,1]=4 1014 B13R1.434 COc1cc(cc(c1OC)Br)C=O TS27269 [0,2,0,0,0,0|0,0,0]=2 1015 B13R1.434 COc1cc(cc(c1OC)Cl)CN TS19285 [0,2,0,0,0,0|1,0,1]=4 1016 B13R1.434 COc1cc(cc(c1OC)I)C=O TS02222 [0,2,0,0,0,0|0,0,0]=2 1017 B13R1.434 COc1cc(cc(c1OC)O)C=O TS60324 [0,2,0,0,0,0|0,0,0]=2 1018 B13R1.434 COc1cc(cc(c1OC)O)CO TS15265 [0,2,0,0,0,0|0,0,2]=4 1019 B13R1.1249 CCOc1ccc(cc1OC)C=O TS14604 [0,2,0,0,0,0|0,0,0]=2 1020 B13R1.1249 CCOc1ccc(cc1OC)CO TS14976 [0,2,0,0,0,0|0,0,2]=4 1021 B13R1.1249 COc1ccc(c(c1)OC)C=NO TS48087 [0,2,0,0,0,0|2,0,0]=4 1022 B13R1.1249 COc1ccc(c(c1)OC)CCO TS14967 [0,2,0,0,0,0|2,0,0]=4 1023 B13R1.2200 COc1cc(c(cc1OC)Br)C#C TS26639 [0,2,0,0,0,0|1,0,1]=4 1024 B13R1.2200 COc1cc(c(cc1OC)Br)C=O TS27262 [0,2,0,0,0,0|0,0,0]=2 1025 B13R1.2200 COc1cc(c(cc1OC)Br)CBr TS32901 [0,2,0,0,0,0|1,0,1]=4 1026 B13R1.2200 COc1cc(c(cc1OC)Br)CO TS27566 [0,2,0,0,0,0|0,0,2]=4 1027 B13R1.2200 COc1cc(c(cc1OC)F)C#N TS48056 [0,2,0,0,0,0|1,0,1]=4 1028 B13R1.2200 COc1cc(c(cc1OC)F)C=O TS15241 [0,2,0,0,0,0|0,0,0]=2 1029 B13R1.2200 COc1cc(c(cc1OC)F)CCl TS19869 [0,2,0,0,0,0|1,0,1]=4 1030 B13R1.2200 COc1cc(c(cc1OC)N)C#N TS65362 [0,2,0,0,0,0|1,0,1]=4 1031 B13R1.2200 Cc1cc(c(cc1OC)OC)OC TS14962 [0,2,0,0,0,0|2,0,0]=4 1032 B13R1.2422 COc1ccc(c(c1OC)Cl)C#N TS53917 [0,2,0,0,0,0|1,0,1]=4 1033 B13R1.2422 COc1ccc(c(c1OC)Cl)C=O TS38004 [0,2,0,0,0,0|0,0,0]=2 1034 B13R1.2422 COc1ccc(c(c1OC)F)CCl TS19870 [0,2,0,0,0,0|1,0,1]=4 1035 B13R1.2422 COc1ccc(c(c1OC)O)C=O TS14925 [0,2,0,0,0,0|0,0,0]=2 1036 B13R1.2430 B(c1cc(ccc1OC)C=O)(O)O TS32660 [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.2430 COc1ccc(cc1C(=O)O)C=O TS47852 [0,2,0,0,0,0|2,0,0]=4 1038 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])C=O TS14738 [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.384 CCOc1cc(ccc1O)CC#N TS46272 [0,2,0,0,0,0|1,0,1]=4 1040 B13R1.2431 COC(=O)c1cc(ccc1O)C#N TS46240 [0,2,0,0,0,0|1,0,1]=4 1041 B13R1.2431 COC(=O)c1cc(ccc1O)C=O TS39350 [0,2,0,0,0,0|0,0,0]=2 1042 B13R1.2431 COC(=O)c1cc(ccc1O)CN TS14758 [0,2,0,0,0,0|1,0,1]=4 1043 B13R1.2431 COc1ccc(c(c1)C(=O)OC)O TS48227 [0,2,0,0,0,0|2,0,0]=4 1044 B13R1.3981 CCOc1cc(cc(c1O)Br)C=O TS27261 [0,2,0,0,0,0|0,0,0]=2 1045 B13R1.3981 CCOc1cc(cc(c1O)I)C=O TS58252 [0,2,0,0,0,0|0,0,0]=2 1046 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O TS47898 [0,2,0,0,0,0|0,0,0]=2 1047 B13R1.52 CC(=O)Nc1ccc(c(c1)OC)O TS14771 [0,2,0,0,0,0|0,0,0]=2 1048 B13R1.52 COc1cc(ccc1F)CC(=O)O TS59616 [0,2,0,0,0,0|1,0,0]=3 1049 B13R1.52 COc1cc(ccc1O)CC(=O)O TS60412 [0,2,0,0,0,0|0,0,0]=2 1050 B13R1.575 CCOCc1ccc(c(c1)OC)O TS48258 [0,2,0,0,0,0|0,0,2]=4 1051 B13R1.575 COc1cc(ccc1O)C=CC=O TS14171 [0,2,0,0,0,0|0,0,0]=2 1052 B13R1.575 COc1cc(ccc1O)C=CCO TS47915 [0,2,0,0,0,0|0,0,1]=3 1053 B13R1.575 COc1cc(ccc1O)CCCO TS14980 [0,2,0,0,0,0|0,0,2]=4 1054 B13R1.4030 COc1cc(cc(c1O)Br)CC#N TS57640 [0,2,0,0,0,0|1,0,1]=4 1055 B13R1.4030 COc1cc(cc(c1O)Br)CC=C TS26971 [0,2,0,0,0,0|1,0,0]=3 1056 B13R1.425 COc1cc(c(c(c1O)Br)Br)C=O TS76369 [0,2,0,0,0,0|0,0,0]=2 1057 B13R1.433 COc1cc(c(c(c1)OC)O)OC TS47186 [0,2,0,0,0,0|2,0,0]=4 1058 B13R1.433 COc1cc(cc(c1Br)OC)C=O TS09567 [0,2,0,0,0,0|1,0,0]=3 1059 B13R1.433 COc1cc(cc(c1O)OC)C=O TS14919 [0,2,0,0,0,0|0,0,0]=2 1060 B13R1.433 COc1cc(cc(c1O)OC)CO TS15263 [0,2,0,0,0,0|0,0,2]=4 1061 B13R1.433 c1c(cc(c(c1C=O)O)C=O)C=O TS14152 [0,2,0,0,0,0|2,0,0]=4 1062 B13R1.437 c1c(cc(c(c1[N+](=O)[O-])O)O)C=O TS48390 [0,2,0,0,0,0|2,0,0]=4 1063 B13R1.98 c1cc(c(cc1C=O)C(F)(F)F)O TS60411 [0,2,0,0,0,0|2,0,0]=4 1064 B13R1.98 c1cc(c(cc1C=O)S(=O)(=O)[O-])O TS23793 [0,2,0,0,0,0|1,1,0]=4 1065 B13R1.2277 COc1ccc(c(c1OC)OC)O TS15264 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.44 COC(=O)c1ccc(s1)C=O TS45123 [0,0,1,1,0,0|1,1,0]=4 1067 B11R1.391 COc1ccc(ccc1=O)Br TS44632 [0,0,1,1,0,0|1,0,1]=4 1068 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,0,0,1,0,0|0,0,1]=3 1069 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,0,0,1,0,0|2,0,0]=4 1070 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [1,0,0,1,0,0|1,0,0]=3 1071 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,0,0,1,0,0|2,0,0]=4 1072 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [1,0,0,1,0,0|1,0,0]=3 1073 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,0,0,1,0,0|2,0,0]=4 1074 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [1,0,0,1,0,0|1,0,0]=3 1075 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,0,0,1,0,0|1,0,1]=4 1076 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [1,0,0,1,0,0|0,0,1]=3 1077 B11R2.173 C=Cc1cccc2c1CC2 TS60073 [1,0,0,1,0,0|2,0,0]=4 1078 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [1,0,0,1,0,0|1,0,1]=4 1079 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O TS65769 [0,1,0,1,0,0|1,0,1]=4 1080 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 TS42186 [0,1,0,1,0,0|2,0,0]=4 1081 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 TS42442 [0,1,0,1,0,0|1,0,0]=3 1082 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 TS11822 [0,1,0,1,0,0|0,0,0]=2 1083 B13R2.430 c1cc(cc2c1cco2)C(=O)O TS11495 [0,1,0,1,0,0|1,0,1]=4 1084 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 TS19113 [0,1,0,1,0,0|1,0,0]=3 1085 B13R2.430 c1cc2c(cc1C(=O)Cl)CCO2 TS07694 [0,1,0,1,0,0|1,0,0]=3 1086 B13R2.430 c1cc2c(cc1C(=O)Cl)OCO2 TS15369 [0,1,0,1,0,0|0,0,0]=2 1087 B13R2.430 c1cc2c(cc1C(=O)N)OCO2 TS11998 [0,1,0,1,0,0|0,0,0]=2 1088 B13R2.430 c1cc2c(cc1C(=O)O)CCN2 TS42558 [0,1,0,1,0,0|2,0,0]=4 1089 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 TS47159 [0,1,0,1,0,0|1,0,0]=3 1090 B13R2.430 c1cc2c(cc1C(=O)O)NCC2 TS11708 [0,1,0,1,0,0|2,0,0]=4 1091 B13R2.430 c1cc2c(cc1C(=O)O)OCC2 TS11817 [0,1,0,1,0,0|1,0,0]=3 1092 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 TS12139 [0,1,0,1,0,0|0,0,0]=2 1093 B13R2.430 c1cc2c(cc1C(=S)N)CCO2 TS47769 [0,1,0,1,0,0|1,1,0]=4 1094 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 TS39219 [0,1,0,1,0,0|0,1,0]=3 1095 B13R2.430 c1cc2c(cc1N(=O)=O)OCO2 TS33189 [0,1,0,1,0,0|1,0,0]=3 1096 B13R2.430 c1cc2c(cco2)cc1C(=O)Cl TS47996 [0,1,0,1,0,0|1,0,1]=4 1097 B13R2.430 c1cc2c(cco2)cc1C(=O)O TS01364 [0,1,0,1,0,0|1,0,1]=4 1098 B13R2.57 [C-]#[N+]c1ccc2c(c1)OCCO2 TS11366 [0,1,0,1,0,0|2,0,0]=4 1099 B13R2.57 c1c(cnc2c1OCCO2)C=O TS22982 [0,1,0,1,0,0|1,0,0]=3 1100 B13R2.57 c1c(ncc2c1OCCO2)C=O TS60231 [0,1,0,1,0,0|1,0,0]=3 1101 B13R2.57 c1cc2c(cc1C#N)OCCO2 TS11365 [0,1,0,1,0,0|1,0,1]=4 1102 B13R2.57 c1cc2c(cc1C=O)CCCC2 TS42183 [0,1,0,1,0,0|2,0,0]=4 1103 B13R2.57 c1cc2c(cc1C=O)OCCO2 TS39994 [0,1,0,1,0,0|0,0,0]=2 1104 B13R2.57 c1cc2c(cc1CN)OCCO2 TS65768 [0,1,0,1,0,0|1,0,1]=4 1105 B13R2.57 c1cc2c(cc1CO)OCCO2 TS08780 [0,1,0,1,0,0|0,0,2]=4 1106 B13R2.57 c1cc2c(cc1NN)OCCO2 TS00562 [0,1,0,1,0,0|2,0,0]=4 1107 B13R2.57 c1cc2c(nc1C=O)OCCO2 TS16352 [0,1,0,1,0,0|1,0,0]=3 1108 B13R2.669 Cn1c2cc(ccc2cn1)C=O TS91664 [0,1,0,1,0,0|2,0,0]=4 1109 B13R2.669 Cn1cnc2c1cc(cc2)C=O TS11245 [0,1,0,1,0,0|2,0,0]=4 1110 B13R2.2121 Cn1cc2cc(ccc2n1)C=O TS89433 [0,1,0,1,0,0|2,0,0]=4 1111 B13R2.2121 Cn1cc2ccc(cc2n1)C=O TS85890 [0,1,0,1,0,0|2,0,0]=4 1112 B13R2.449 C=CCc1ccc2c(c1)OCO2 TS42437 [0,1,0,1,0,0|1,0,0]=3 1113 B13R2.449 CC=Cc1ccc2c(c1)OCO2 TS11542 [0,1,0,1,0,0|1,0,0]=3 1114 B13R2.449 CCCc1ccc2c(c1)OCO2 TS11851 [0,1,0,1,0,0|1,0,1]=4 1115 B13R2.449 CCNc1ccc2c(c1)OCO2 TS12021 [0,1,0,1,0,0|1,0,1]=4 1116 B13R2.449 CNCc1ccc2c(c1)OCO2 TS42887 [0,1,0,1,0,0|1,0,1]=4 1117 B13R2.449 c1cc2c(cc1C=NO)OCO2 TS11997 [0,1,0,1,0,0|0,0,1]=3 1118 B13R2.449 c1cc2c(cc1CC#N)OCO2 TS11364 [0,1,0,1,0,0|1,0,1]=4 1119 B13R2.449 c1cc2c(cc1CCN)OCO2 TS08537 [0,1,0,1,0,0|1,0,1]=4 1120 B13R2.449 c1cc2c(cc1CCN)OCO2 TS19274 [0,1,0,1,0,0|1,0,1]=4 1121 B13R2.449 c1cc2c(cc1CCO)OCO2 TS22867 [0,1,0,1,0,0|0,0,2]=4 1122 B13R2.449 c1cc2c(cc1N=C=O)CCO2 TS08756 [0,1,0,1,0,0|1,0,1]=4 1123 B13R2.449 c1cc2c(cc1N=C=S)OCO2 TS47706 [0,1,0,1,0,0|0,1,1]=4 1124 B13R2.599 COc1cc2c(cc1O)cn[nH]2 TS11830 [0,1,0,1,0,0|2,0,0]=4 1125 B13R2.599 COc1cc2c(cc[nH]2)cc1Cl TS14847 [0,1,0,1,0,0|2,0,0]=4 1126 B13R2.599 COc1cc2cc[nH]c2cc1F TS87805 [0,1,0,1,0,0|2,0,0]=4 1127 B13R2.599 COc1cc2cn[nH]c2cc1Br TS89039 [0,1,0,1,0,0|2,0,0]=4 1128 B13R2.599 COc1cc2cn[nH]c2cc1Cl TS88258 [0,1,0,1,0,0|2,0,0]=4 1129 B13R2.599 c1c(c(cc2c1OCO2)Br)C#N TS52262 [0,1,0,1,0,0|1,0,1]=4 1130 B13R2.599 c1c(c(cc2c1OCO2)Br)C=O TS55554 [0,1,0,1,0,0|0,0,0]=2 1131 B13R2.599 c1c(c(cc2c1OCO2)Br)CO TS53119 [0,1,0,1,0,0|0,0,2]=4 1132 B13R2.599 c1c(c(cc2c1OCO2)Cl)C=O TS15370 [0,1,0,1,0,0|0,0,0]=2 1133 B13R2.599 c1c(c(cc2c1OCO2)Cl)CCl TS19903 [0,1,0,1,0,0|1,0,1]=4 1134 B13R2.654 COc1cc(c2c(c1)OCO2)N TS12376 [0,1,0,1,0,0|2,0,0]=4 1135 B13R2.654 c1c(cc(c2c1OCO2)Cl)CN TS15507 [0,1,0,1,0,0|1,0,1]=4 1136 B13R2.654 c1c(cc2c(c1O)OCO2)C=O TS12136 [0,1,0,1,0,0|0,0,0]=2 1137 B13R2.654 c1c(cc2c(c1O)OCO2)CO TS44832 [0,1,0,1,0,0|0,0,2]=4 1138 B9R1.21 CCc1ccc(o1)C=O TS32598 [1,0,0,0,1,0|2,0,0]=4 1139 B9R1.21 CCc1ccc(s1)C=O TS06487 [1,0,0,0,1,0|2,0,0]=4 1140 B9R1.21 CSc1ccc([nH]1)C=O TS37496 [1,0,0,0,1,0|1,1,0]=4 1141 B9R1.21 CSc1ccc(s1)C=O TS11041 [1,0,0,0,1,0|1,1,0]=4 1142 B9R1.23 Cc1c(cc(s1)C=O)Br TS38752 [1,0,0,0,1,0|2,0,0]=4 1143 B9R1.23 Cc1cc(oc1C)C=O TS32597 [1,0,0,0,1,0|2,0,0]=4 1144 B9R1.23 Cc1cc(sc1Br)C=O TS89210 [1,0,0,0,1,0|2,0,0]=4 1145 B9R1.132 Cc1c[nH]c(c1C)C=O TS88398 [1,0,0,0,1,0|2,0,0]=4 1146 B11R1.265 COc1c(cccc1F)C=O TS16737 [0,0,0,0,1,1|1,0,0]=3 1147 B11R1.265 COc1c(ccnc1Br)C=O TS44777 [0,0,0,0,1,1|1,0,0]=3 1148 B11R1.265 COc1cccc(c1OC)O TS41358 [0,0,0,0,1,1|2,0,0]=4