0 B12R1.286 CC=Cc1ccc(c(c1)OC)O TS11885 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 CCCc1ccc(c(c1)OC)O TS12255 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.286 COc1cc(ccc1F)CC#N TS42878 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.286 COc1cc(ccc1O)C=NO TS43214 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.286 COc1cc(ccc1O)CC#N TS11709 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.286 COc1cc(ccc1O)CC=C TS11869 [0,0,0,0,0,0|0,0,2]=2 6 B12R1.286 COc1cc(ccc1O)CCN TS22775 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.286 COc1cc(ccc1O)CCN TS22835 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.286 COc1cc(ccc1O)CCO TS03115 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.286 Cc1ccc(cc1OC)CC#N TS60016 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.189 CNCc1cccc(c1)OC TS41039 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.189 COc1cccc(c1)CCN TS02822 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.189 COc1cccc(c1)CCO TS41136 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.189 COc1cccc(c1)CNN TS88044 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.189 COc1cccc(c1)CO[NH3+] TS16252 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.189 COc1cccc(c1)N=C=O TS40722 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.189 COc1cccc(c1)N=C=S TS42924 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.192 Cc1cc(ccc1O)SC#N TS42915 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.192 Cc1ccc(cc1C)C=NO TS07573 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.192 c1cc(c(cc1C=NO)O)O TS41241 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.280 CCc1ccc(c(c1)C=O)O TS65157 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.280 CCc1ccc(c(c1)CC)C TS40685 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [1,0,0,0,0,0|0,0,1]=2 28 B11R1.280 CNc1ccc(c(n1)OC)N TS10321 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.280 COc1cc(c(nc1)N)OC TS10430 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.280 COc1cc(ccc1F)C#N TS71118 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.280 COc1cc(ccc1F)C=O TS02813 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.280 COc1cc(ccc1F)CBr TS60401 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.280 COc1cc(ccc1F)CCl TS13590 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.280 COc1cc(ccc1F)CO TS41605 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.280 COc1cc(ccc1O)C#N TS03114 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.280 COc1cc(ccc1O)C=C TS40861 [1,0,0,0,0,0|0,0,0]=1 37 B11R1.280 COc1cc(ccc1O)C=O TS02812 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.280 COc1cc(ccc1O)CN TS16249 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.280 COc1cc(ccc1O)CO TS10411 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.280 COc1cc(ncc1N)OC TS10429 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.280 COc1ccc(c(c1)C#N)O TS07543 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.280 COc1ccc(c(c1)C=O)O TS10130 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [1,0,0,0,0,0|1,1,0]=3 50 B11R1.280 COc1ccc(c(n1)OC)N TS17198 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.280 COc1ccc(c(n1)OC)N TS65843 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.280 c1cc(c(cc1C=O)C=O)O TS07649 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O TS14589 [0,1,0,0,0,0|0,0,1]=2 57 B13R1.49 CCc1cc(ccc1O)C(=O)OC TS14618 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O TS14540 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.49 COc1cc(ccc1I)C(=O)OC TS58253 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.49 COc1cc(ccc1N)C(=O)OC TS08591 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.49 COc1cc(ccc1O)C(=O)NN TS14937 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.49 COc1cc(ccc1O)C(=O)OC TS16566 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.49 COc1cc(ccc1O)C(CO)O TS82469 [0,1,0,0,0,0|1,0,2]=4 64 B13R1.49 COc1cc(cnc1N)C(=O)OC TS14944 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.49 Cc1ccc(cc1OC)C(=O)OC TS59795 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O TS47898 [0,1,0,0,0,0|0,0,1]=2 67 B13R1.52 CC(=O)Nc1ccc(c(c1)OC)O TS14771 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.52 COc1cc(ccc1F)CC(=O)O TS59616 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.52 COc1cc(ccc1O)CC(=O)O TS60412 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.384 CCOc1cc(ccc1O)CC#N TS46272 [0,1,0,0,0,0|1,0,2]=4 71 B13R1.386 CC=Cc1ccc(c(c1)OC)OC TS47559 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.386 CCCc1ccc(c(c1)OC)OC TS47958 [0,1,0,0,0,0|0,0,2]=3 73 B13R1.386 COc1ccc(cc1OC)C=NO TS14754 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.386 COc1ccc(cc1OC)CC=C TS47565 [0,1,0,0,0,0|0,0,2]=3 75 B13R1.386 COc1ccc(cc1OC)CCN TS02556 [0,1,0,0,0,0|1,0,2]=4 76 B13R1.386 COc1ccc(cc1OC)CCN TS48110 [0,1,0,0,0,0|1,0,2]=4 77 B13R1.386 COc1ccc(cc1OC)N=C=O TS47690 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.386 COc1ccc(cc1OC)N=C=S TS52043 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.575 CCOCc1ccc(c(c1)OC)O TS48258 [0,1,0,0,0,0|0,0,2]=3 80 B13R1.575 COc1cc(ccc1O)C=CC=O TS14171 [0,1,0,0,0,0|0,0,1]=2 81 B13R1.575 COc1cc(ccc1O)C=CCO TS47915 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.575 COc1cc(ccc1O)CCCO TS14980 [0,1,0,0,0,0|0,0,2]=3 83 B13R1.4030 COc1cc(cc(c1O)Br)CC#N TS57640 [0,1,0,0,0,0|1,0,2]=4 84 B13R1.4030 COc1cc(cc(c1O)Br)CC=C TS26971 [0,1,0,0,0,0|0,0,2]=3 85 B13R2.449 C=CCc1ccc2c(c1)OCO2 TS42437 [0,0,0,1,0,0|0,0,2]=3 86 B13R2.449 CC=Cc1ccc2c(c1)OCO2 TS11542 [0,0,0,1,0,0|0,0,0]=1 87 B13R2.449 CCCc1ccc2c(c1)OCO2 TS11851 [0,0,0,1,0,0|0,0,2]=3 88 B13R2.449 CCNc1ccc2c(c1)OCO2 TS12021 [0,0,0,1,0,0|1,0,1]=3 89 B13R2.449 CNCc1ccc2c(c1)OCO2 TS42887 [0,0,0,1,0,0|1,0,1]=3 90 B13R2.449 c1cc2c(cc1C=NO)OCO2 TS11997 [0,0,0,1,0,0|2,0,0]=3 91 B13R2.449 c1cc2c(cc1CC#N)OCO2 TS11364 [0,0,0,1,0,0|1,0,2]=4 92 B13R2.449 c1cc2c(cc1CCN)OCO2 TS08537 [0,0,0,1,0,0|1,0,2]=4 93 B13R2.449 c1cc2c(cc1CCN)OCO2 TS19274 [0,0,0,1,0,0|1,0,2]=4 94 B13R2.449 c1cc2c(cc1CCO)OCO2 TS22867 [0,0,0,1,0,0|1,0,2]=4 95 B13R2.449 c1cc2c(cc1N=C=S)OCO2 TS47706 [0,0,0,1,0,0|2,0,1]=4 96 B13R2.599 COc1cc2c(cc1O)cn[nH]2 TS11830 [0,0,0,1,0,0|2,0,1]=4 97 B13R2.599 COc1cc2c(cc[nH]2)cc1Cl TS14847 [0,0,0,1,0,0|2,0,1]=4 98 B13R2.599 COc1cc2cc[nH]c2cc1F TS87805 [0,0,0,1,0,0|2,0,0]=3 99 B13R2.599 COc1cc2cn[nH]c2cc1Br TS89039 [0,0,0,1,0,0|3,0,0]=4 100 B13R2.599 COc1cc2cn[nH]c2cc1Cl TS88258 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.10 CCCc1cccc(c1)C TS36863 [2,0,0,0,0,0|0,0,2]=4 102 B10R1.10 CCCc1cccc(c1)O TS70692 [2,0,0,0,0,0|0,0,2]=4 103 B10R1.10 CCNc1cccc(c1)C TS06008 [2,0,0,0,0,0|1,0,1]=4 104 B10R1.10 CCOc1cccc(c1)C TS06098 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.10 CCOc1cccc(c1)O TS06261 [2,0,0,0,0,0|1,0,1]=4 106 B10R1.10 Cc1cccc(c1)CNC TS36964 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.10 Cc1cccc(c1)NC=O TS36924 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.172 C=Cc1cccc(c1)C=C TS36517 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.172 C=Cc1cccc(c1)C=O TS05736 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.172 CCc1cccc(c1)C=O TS36830 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.172 CNc1cccc(c1)OC TS37104 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.172 CNc1cccc(n1)OC TS37198 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.172 COc1cc(ccn1)C=O TS55432 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.172 COc1cc(cnc1)C=O TS37089 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.172 COc1cc(cnc1)OC TS02599 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.172 COc1cccc(c1)C#C TS36666 [2,0,0,0,0,0|0,0,2]=4 117 B10R1.172 COc1cccc(c1)C#N TS39448 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.172 COc1cccc(c1)C=O TS02819 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.172 COc1cccc(c1)CBr TS38037 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.172 COc1cccc(c1)CCl TS39449 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.172 COc1cccc(c1)CN TS60017 [2,0,0,0,0,0|1,0,1]=4 122 B10R1.172 COc1cccc(c1)CO TS39311 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [2,0,0,0,0,0|1,0,1]=4 124 B10R1.172 COc1cccc(c1)NN TS02825 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.172 COc1cccc(c1)OC TS46804 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.172 COc1cccc(c1)SC TS41406 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.172 COc1cccc(n1)C=O TS01259 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.172 COc1cccc(n1)OC TS65016 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.172 COc1ccnc(c1)OC TS06363 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.1 C=CCc1ccc(cc1)O TS36845 [2,0,0,0,0,0|0,0,2]=4 132 B10R1.1 CCCc1ccc(cc1)O TS06088 [2,0,0,0,0,0|0,0,2]=4 133 B10R1.1 CCOc1ccc(cc1)O TS06257 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.1 c1cc(ccc1CC=O)O TS36982 [2,0,0,0,0,0|1,0,1]=4 135 B10R1.1 c1cc(ccc1NC=O)O TS37097 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [2,0,0,0,0,0|0,0,1]=3 142 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.176 COc1ccc(c(c1)F)O TS55337 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.176 COc1ccc(c(c1)N)O TS08806 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.176 COc1ccc(c(c1)O)N TS13758 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.176 Cc1cc(ccc1F)OC TS60402 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.176 Cc1cc(ccc1N)OC TS71202 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.176 Cc1ccc(cc1C)OC TS06079 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.30 CCc1cc(ccc1C)C TS05930 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.30 CCc1cc(ccc1O)F TS37365 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.30 CCc1cc(ccc1O)O TS06259 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [2,0,0,0,0,0|1,0,1]=4 172 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.30 COc1cc(ccc1Br)F TS65379 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.30 COc1cc(ccc1Br)I TS01774 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.30 COc1cc(ccc1Br)N TS00018 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.30 COc1cc(ccc1Br)O TS00019 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.30 COc1cc(ccc1Cl)F TS09281 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.30 COc1cc(ccc1Cl)N TS10907 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.30 COc1cc(ccc1F)Br TS19895 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.30 COc1cc(ccc1F)F TS65344 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.30 COc1cc(ccc1N)Br TS70959 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.30 COc1cc(ccc1N)F TS93806 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.30 COc1cc(ccc1N)N TS56779 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.30 COc1cc(ccc1O)Br TS29434 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.30 COc1cc(ccc1O)Cl TS11084 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.30 COc1cc(ccc1O)F TS37549 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.30 COc1cc(ccc1O)O TS37335 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [2,0,0,0,0,0|0,0,0]=2 195 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.30 Cc1ccc(cc1OC)F TS06455 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.30 Cc1ccc(cc1OC)N TS59695 [2,0,0,0,0,0|2,0,0]=4 202 B12R1.278 CCOc1cccc(c1)OCC TS12251 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.278 COCc1cccc(c1)COC TS12257 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.280 COc1cccc(c1O)CC=C TS11852 [1,1,0,0,0,0|0,0,2]=4 205 B12R1.382 COc1cccc(c1)C#CCO TS42451 [1,1,0,0,0,0|0,0,2]=4 206 B12R1.382 COc1cccc(c1)CCCN TS42939 [1,1,0,0,0,0|0,0,2]=4 207 B12R1.382 COc1cccc(c1)CCCO TS12259 [1,1,0,0,0,0|0,0,2]=4 208 B12R1.382 COc1cccc(c1)OCCBr TS25022 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.435 CCC(=O)c1cccc(c1)OC TS02826 [1,1,0,0,0,0|0,0,1]=3 210 B12R1.435 COc1cc(ccn1)C(=O)OC TS88888 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.435 COc1cc(cnc1)C(=O)OC TS43201 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.435 COc1cccc(c1)C(=O)C#N TS11388 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.435 COc1cccc(c1)C(=O)CBr TS01771 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.435 COc1cccc(c1)C(=O)NN TS43055 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.435 COc1cccc(c1)C(=O)OC TS12177 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.435 COc1cccc(n1)C(=O)OC TS12356 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.435 COc1ccnc(c1)C(=O)OC TS12354 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.435 COc1ccnc(c1)C(=O)OC TS19651 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.438 CC(=O)Cc1cccc(c1)OC TS11855 [1,1,0,0,0,0|0,0,1]=3 220 B12R1.438 CC(=O)Nc1cccc(c1)OC TS12011 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.438 CC(=O)Nc1cccc(c1)SC TS14829 [1,1,0,0,0,0|1,1,0]=4 222 B12R1.438 CC(=O)Oc1cccc(c1)OC TS12201 [1,1,0,0,0,0|1,0,0]=3 223 B12R1.438 CN(C)Cc1cccc(c1)OC TS42949 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.438 COc1cccc(c1)CC(=N)N TS42767 [1,1,0,0,0,0|1,0,1]=4 225 B12R1.438 COc1cccc(c1)CC(=O)Cl TS48662 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.438 COc1cccc(c1)CC(=O)N TS42908 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.438 COc1cccc(c1)CC(=O)O TS02823 [1,1,0,0,0,0|1,0,1]=4 228 B12R1.438 COc1cccc(c1)NC(=N)N TS12034 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.438 COc1cccc(c1)NC(=N)N TS19290 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.438 COc1cccc(c1)NC(=O)N TS12222 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.438 COc1cccc(c1)NC(=S)N TS48302 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O TS15512 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O TS43219 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.19 Cc1cc(ccc1Br)NC(=O)C TS24460 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.19 Cc1ccc(cc1C)NC(=O)C TS42600 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.19 c1cc(c(cc1CC(=O)N)O)O TS43207 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.19 c1cc(c(cc1CC(=O)O)O)O TS44830 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.367 CCC(=O)c1ccc(c(c1)C)C TS11591 [1,1,0,0,0,0|1,0,1]=4 239 B12R1.367 CCC(=O)c1ccc(c(c1)O)O TS12197 [1,1,0,0,0,0|0,0,1]=3 240 B12R1.367 COC(=O)c1cc(c(cn1)O)O TS91711 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.367 COC(=O)c1cc(c(nc1)O)O TS92420 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.367 COC(=O)c1ccc(c(c1)Br)O TS53113 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O TS15704 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.367 COC(=O)c1ccc(c(c1)F)O TS45080 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.367 COC(=O)c1ccc(c(c1)I)O TS02307 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.367 COC(=O)c1ccc(c(c1)N)O TS65231 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.367 COC(=O)c1ccc(c(c1)O)F TS33164 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.367 COC(=O)c1ccc(c(c1)O)I TS02316 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.367 COC(=O)c1ccc(c(c1)O)N TS39548 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.367 COC(=O)c1ccc(c(c1)O)O TS08564 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.367 COC(=O)c1ccc(c(n1)O)O TS88111 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.367 Cc1cc(ccc1Br)C(=O)OC TS56289 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC TS48670 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.367 Cc1cc(ccc1I)C(=O)OC TS16570 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.367 Cc1cc(ccc1N)C(=O)OC TS08592 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.367 Cc1ccc(cc1C)C(=O)OC TS11874 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.367 Cc1ccc(cc1O)C(=O)OC TS70610 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O TS15720 [1,1,0,0,0,0|1,0,1]=4 259 B12R1.367 c1cc(c(cc1C(=O)NN)O)O TS12503 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.385 CCCCc1ccc(c(c1)O)O TS12262 [1,1,0,0,0,0|0,0,2]=4 261 B12R1.385 CNCCc1ccc(c(c1)O)O TS01599 [1,1,0,0,0,0|0,0,2]=4 262 B12R1.385 c1cc(c(cc1OCCO)O)O TS12783 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.544 c1cc(c(c(c1C=NO)O)O)O TS12650 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O TS42285 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O TS08973 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [1,1,0,0,0,0|0,0,0]=2 269 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [1,1,0,0,0,0|0,0,1]=3 270 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS01094 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS17237 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.56 C[C@@H](c1ccc(c(c1)OC)F)N TS12686 [1,1,0,0,0,0|1,0,1]=4 279 B12R1.56 Cc1ccc(cc1OC)C(=O)N TS12003 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.78 COc1cc(ccc1SC)C=O TS15004 [1,1,0,0,0,0|1,1,0]=4 282 B12R1.78 COc1ccc(c(c1)OC)C#N TS42561 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.78 COc1ccc(c(c1)OC)C=O TS22990 [1,1,0,0,0,0|1,0,1]=4 284 B12R1.78 COc1ccc(c(c1)OC)CN TS47233 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.78 COc1ccc(c(c1)OC)CN TS47270 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.78 COc1ccc(c(c1)OC)CO TS47232 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.78 COc1ccc(c(c1)OC)OC TS12521 [1,1,0,0,0,0|1,0,0]=3 288 B12R1.78 COc1ccc(c(c1)OC)[Mg]Br TS57586 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.78 COc1ccc(c(c1)OC)[N+]#[C-] TS11685 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.78 COc1ccc(cc1OC)C#C TS11536 [1,1,0,0,0,0|0,0,2]=4 291 B12R1.78 COc1ccc(cc1OC)C=C TS11888 [1,1,0,0,0,0|0,0,0]=2 292 B12R1.78 COc1ccc(cc1OC)C=O TS60325 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.78 COc1ccc(cc1OC)CBr TS25019 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.78 COc1ccc(cc1OC)CCl TS49007 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.78 COc1ccc(cc1OC)CN TS38506 [1,1,0,0,0,0|1,0,1]=4 296 B12R1.78 COc1ccc(cc1OC)CN TS43248 [1,1,0,0,0,0|1,0,1]=4 297 B12R1.78 COc1ccc(cc1OC)CO TS44868 [1,1,0,0,0,0|1,0,1]=4 298 B12R1.78 COc1ccc(cc1OC)NN TS19879 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.78 COc1ccc(cc1OC)SC TS48595 [1,1,0,0,0,0|1,0,0]=3 300 B12R1.78 COc1ccc(cc1OC)[Mg]Br TS57585 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.78 COc1ccc(cc1OC)[N+]#[C-] TS42575 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.300 COc1cc(c(c(c1)F)Br)OC TS25678 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.300 COc1cc(cc(c1O)Br)C=O TS60335 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.300 COc1cc(cc(c1O)Cl)C=O TS15712 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.300 COc1cc(cc(c1O)Cl)CO TS16088 [1,1,0,0,0,0|1,0,1]=4 306 B12R1.300 COc1cc(cc(c1O)F)C=O TS85082 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.300 COc1cc(cc(c1O)I)C=O TS33986 [1,1,0,0,0,0|1,0,0]=3 308 B12R1.300 COc1cc(cc(c1O)I)CO TS54296 [1,1,0,0,0,0|1,0,1]=4 309 B12R1.300 COc1cc(cc(c1O)O)C=O TS44818 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.300 Cc1cc(cc(c1O)OC)C#N TS85848 [1,1,0,0,0,0|1,0,1]=4 311 B12R1.449 COc1cc(c(cc1Br)Br)OC TS35851 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.449 COc1cc(c(cc1Cl)F)C=O TS16080 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.449 COc1cc(c(cc1N)Cl)OC TS15878 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.449 COc1cc(c(cc1O)Br)C=O TS08323 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.453 CC(=O)c1cc(ccc1O)OC TS01830 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.453 CCc1ccc(c(c1)C(=O)C)O TS42737 [1,1,0,0,0,0|1,0,1]=4 317 B14R1.41 COc1cc(ccc1O)C(C(=O)O)O TS53972 [0,2,0,0,0,0|1,0,1]=4 318 B14R1.358 COc1cc(cc(c1O)Br)C(=O)OC TS29624 [0,2,0,0,0,0|1,0,0]=3 319 B14R1.358 COc1cc(cc(c1O)I)C(=O)OC TS76226 [0,2,0,0,0,0|1,0,0]=3 320 B14R1.358 COc1cc(cc(c1O)O)C(=O)OC TS18585 [0,2,0,0,0,0|1,0,0]=3 321 B14R1.436 CCCc1cc(ccc1O)C(=O)OC TS16567 [0,2,0,0,0,0|2,0,0]=4 322 B14R1.436 CCOc1cc(ccc1N)C(=O)C=C TS17292 [0,2,0,0,0,0|1,0,1]=4 323 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)O TS56154 [0,2,0,0,0,0|0,0,1]=3 324 B14R1.1864 CC(=NO)c1ccc(c(c1)OC)OC TS52025 [0,2,0,0,0,0|2,0,0]=4 325 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC TS51827 [0,2,0,0,0,0|0,0,1]=3 326 B14R1.1864 COc1cc(ccc1CBr)C(=O)OC TS56276 [0,2,0,0,0,0|2,0,0]=4 327 B14R1.1864 COc1ccc(cc1OC)C(=O)CBr TS00835 [0,2,0,0,0,0|1,0,1]=4 328 B14R1.1864 COc1ccc(cc1OC)C(=O)NN TS02555 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.1864 COc1ccc(cc1OC)C(=O)OC TS53645 [0,2,0,0,0,0|1,0,0]=3 330 B14R1.343 CN(C)Cc1cc(c(c(c1)F)O)OC TS37731 [0,2,0,0,0,0|1,0,1]=4 331 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)O TS29623 [0,2,0,0,0,0|1,0,1]=4 332 B14R1.439 CCOc1cc(ccc1O)CC(=O)O TS18225 [0,2,0,0,0,0|1,0,1]=4 333 B14R1.705 CC(=O)c1cc(ccc1O)NC(=O)C TS01582 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.881 CC(=O)Nc1cc(c(cc1Cl)Cl)OC TS25474 [0,2,0,0,0,0|2,0,0]=4 335 B14R1.3651 CC(=O)Cc1ccc(c(c1)OC)OC TS02558 [0,2,0,0,0,0|0,0,1]=3 336 B14R1.3651 CC(=S)Nc1ccc(c(c1)OC)OC TS21156 [0,2,0,0,0,0|1,0,0]=3 337 B14R1.3651 COc1ccc(cc1OC)CC(=N)N TS51856 [0,2,0,0,0,0|1,0,1]=4 338 B14R1.3651 COc1ccc(cc1OC)CC(=O)Cl TS21779 [0,2,0,0,0,0|1,0,1]=4 339 B14R1.3651 COc1ccc(cc1OC)CC(=O)N TS52008 [0,2,0,0,0,0|1,0,1]=4 340 B14R1.3651 COc1ccc(cc1OC)CC(=O)O TS02557 [0,2,0,0,0,0|1,0,1]=4 341 B14R1.3651 COc1ccc(cc1OC)CC(=S)N TS00226 [0,2,0,0,0,0|1,0,1]=4 342 B14R1.3651 C[C@@H](Cc1ccc(c(c1)OC)OC)O TS18272 [0,2,0,0,0,0|0,0,2]=4 343 B14R1.793 CNCCc1ccc(c(c1)OC)OC TS25134 [0,2,0,0,0,0|0,0,2]=4 344 B14R1.793 CNCCc1ccc(c(c1)OC)OC TS52055 [0,2,0,0,0,0|0,0,2]=4 345 B14R1.793 COc1ccc(cc1OC)C=CC#N TS50915 [0,2,0,0,0,0|0,0,1]=3 346 B14R1.793 COc1ccc(cc1OC)CCCO TS18274 [0,2,0,0,0,0|0,0,2]=4 347 B14R1.42 CC(=O)C=Cc1ccc(c(c1)OC)O TS51444 [0,2,0,0,0,0|0,0,0]=2 348 B14R1.42 CC(=O)CCc1ccc(c(c1)OC)O TS51820 [0,2,0,0,0,0|0,0,1]=3 349 B14R1.42 COc1cc(ccc1F)C=CC(=O)O TS18207 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.42 COc1cc(ccc1O)C=CC(=O)N TS17640 [0,2,0,0,0,0|0,0,1]=3 351 B14R1.42 COc1cc(ccc1O)C=CC(=O)O TS01734 [0,2,0,0,0,0|0,0,1]=3 352 B14R1.42 COc1cc(ccc1O)C=CC(=O)O TS54329 [0,2,0,0,0,0|0,0,1]=3 353 B14R1.42 COc1cc(ccc1O)C=CC(=O)[O-] TS44800 [0,2,0,0,0,0|0,0,1]=3 354 B14R1.42 COc1cc(ccc1O)C=CC(=O)[O-] TS81418 [0,2,0,0,0,0|0,0,1]=3 355 B14R1.42 COc1cc(ccc1O)C=C[N+](=O)[O-] TS18010 [0,2,0,0,0,0|1,0,0]=3 356 B14R1.42 COc1cc(ccc1O)CCC(=O)O TS18214 [0,2,0,0,0,0|1,0,1]=4 357 B14R1.3236 COc1cc(cc(c1O)C=O)CC=C TS17470 [0,2,0,0,0,0|0,0,2]=4 358 B14R1.3236 COc1cc(cc(c1O)OC)C=NO TS18429 [0,2,0,0,0,0|2,0,0]=4 359 B14R1.3236 COc1cc(cc(c1O)OC)CC=C TS17850 [0,2,0,0,0,0|0,0,2]=4 360 B12R1.450 Cc1cc(c(cc1OC)O)OC TS44866 [0,0,1,1,0,0|1,0,1]=4 361 B12R1.741 COc1c(ccc(c1OC)O)O TS12775 [0,0,1,1,0,0|2,0,0]=4 362 B12R1.653 COc1ccc(c(c1O)Cl)C=O TS15719 [0,0,1,1,0,0|2,0,0]=4 363 B12R1.653 COc1ccc(c(c1O)O)C=O TS44826 [0,0,1,1,0,0|2,0,0]=4 364 B12R2.44 CCc1ccc2c(c1)cc[nH]2 TS03293 [1,0,0,1,0,0|2,0,0]=4 365 B12R2.44 COc1cc2cc[nH]c2cn1 TS40621 [1,0,0,1,0,0|2,0,0]=4 366 B12R2.44 COc1cc2cc[nH]c2nc1 TS01137 [1,0,0,1,0,0|2,0,0]=4 367 B12R2.44 COc1ccc2c(c1)C=CC2 TS07229 [1,0,0,1,0,0|0,0,0]=2 368 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [1,0,0,1,0,0|0,0,2]=4 369 B12R2.44 COc1ccc2c(c1)CNC2 TS03348 [1,0,0,1,0,0|1,0,1]=4 370 B12R2.44 COc1ccc2c(c1)NCC2 TS01254 [1,0,0,1,0,0|1,0,1]=4 371 B12R2.44 COc1ccc2c(c1)NCC2 TS65173 [1,0,0,1,0,0|1,0,1]=4 372 B12R2.44 COc1ccc2c(c1)[nH]cn2 TS07430 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.44 COc1ccc2c(c1)cc[nH]2 TS40531 [1,0,0,1,0,0|1,0,0]=3 374 B12R2.44 COc1ccc2c(c1)cco2 TS01139 [1,0,0,1,0,0|1,0,0]=3 375 B12R2.44 COc1ccc2c(c1)cn[nH]2 TS71581 [1,0,0,1,0,0|2,0,0]=4 376 B12R2.44 COc1ccc2c(c1)scn2 TS55615 [1,0,0,1,0,0|2,0,0]=4 377 B12R2.44 COc1ccc2c(n1)cc[nH]2 TS08885 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.44 COc1ccc2cc[nH]c2c1 TS55616 [1,0,0,1,0,0|1,0,1]=4 379 B12R2.44 CSc1ccc2c(c1)cc[nH]2 TS42625 [1,0,0,1,0,0|1,1,0]=4 380 B12R2.315 CCc1cccc2c1[nH]cc2 TS07121 [1,0,0,1,0,0|2,0,0]=4 381 B12R2.315 CNc1cccc2c1[nH]cc2 TS40443 [1,0,0,1,0,0|2,0,0]=4 382 B12R2.315 COc1c2c(cc[nH]2)ccn1 TS07433 [1,0,0,1,0,0|2,0,0]=4 383 B12R2.315 COc1c2c(ccn1)cco2 TS90407 [1,0,0,1,0,0|2,0,0]=4 384 B12R2.315 COc1cccc2c1CCN2 TS71200 [1,0,0,1,0,0|1,0,1]=4 385 B12R2.315 COc1cccc2c1CCN2 TS71201 [1,0,0,1,0,0|1,0,1]=4 386 B12R2.315 COc1cccc2c1[nH]cc2 TS55687 [1,0,0,1,0,0|1,0,0]=3 387 B12R2.315 COc1cccc2c1[nH]nc2 TS39798 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.315 COc1cccc2c1cc[nH]2 TS03147 [1,0,0,1,0,0|1,0,1]=4 389 B12R2.315 COc1cccc2c1occ2 TS07423 [1,0,0,1,0,0|1,0,0]=3 390 B12R2.315 COc1ccnc2c1[nH]cc2 TS07435 [1,0,0,1,0,0|2,0,0]=4 391 B12R2.315 COc1cncc2c1[nH]cc2 TS92506 [1,0,0,1,0,0|2,0,0]=4 392 B12R2.82 c1cc(c(c2c1cco2)O)O TS07647 [1,0,0,1,0,0|1,0,0]=3 393 B12R2.100 c1c2c(cc(c1O)O)NCC2 TS71345 [1,0,0,1,0,0|1,0,1]=4 394 B12R2.100 c1c[nH]c2c1cc(c(c2)Br)O TS90128 [1,0,0,1,0,0|2,0,0]=4 395 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)O TS88336 [1,0,0,1,0,0|2,0,0]=4 396 B12R2.100 c1c[nH]c2c1cc(c(c2)F)O TS40979 [1,0,0,1,0,0|2,0,0]=4 397 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O TS71344 [1,0,0,1,0,0|1,0,0]=3 398 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 TS47514 [0,1,0,1,0,0|0,0,1]=3 399 B14R2.966 c1cc2c(cc1C(=O)CBr)OCO2 TS57803 [0,1,0,1,0,0|1,0,1]=4 400 B14R2.966 c1cc2c(cc1C(=O)NN)OCO2 TS47872 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.2167 CCc1cc2c(cc1O)CCC2=O TS46102 [0,1,0,1,0,0|1,0,1]=4 402 B14R2.2167 COc1cc2c(cc1Cl)CCC2=O TS53768 [0,1,0,1,0,0|1,0,1]=4 403 B14R2.2167 COc1cc2c(cc1F)CCC2=O TS14568 [0,1,0,1,0,0|1,0,1]=4 404 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 TS47502 [0,1,0,1,0,0|0,0,1]=3 405 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 TS47694 [0,1,0,1,0,0|1,0,0]=3 406 B14R2.1008 CC(Cc1ccc2c(c1)OCO2)N TS14432 [0,1,0,1,0,0|0,0,2]=4 407 B14R2.1008 c1cc2c(cc1CC(=O)Cl)OCO2 TS18731 [0,1,0,1,0,0|1,0,1]=4 408 B14R2.1008 c1cc2c(cc1CC(=O)O)OCO2 TS65736 [0,1,0,1,0,0|1,0,1]=4 409 B14R2.1197 Cc1cc2c(cc1OC)[se]c(n2)C TS57336 [0,1,0,1,0,0|2,0,0]=4 410 B14R2.82 COc1cc2cc[nH]c2cc1OC TS71347 [0,1,0,1,0,0|1,0,0]=3 411 B14R2.82 COc1cc2cn[nH]c2cc1OC TS14191 [0,1,0,1,0,0|2,0,0]=4 412 B14R2.991 c1cc2c(cc1NCCO)OCO2 TS49330 [0,1,0,1,0,0|1,0,1]=4 413 B14R3.3022 c1c[nH]c2c1cc3c(c2)OCO3 TS42286 [0,0,0,2,0,0|1,0,0]=3