0 B12R2.44 C#Cc1ccc2c(c1)OCO2 TS07169 [0,0,0,0,0,0|1,0,1]=2 1 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.44 COc1ccc2c(c1)CCN2 TS71586 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.44 COc1ccc2c(c1)NCC2 TS01254 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.44 COc1ccc2c(c1)NCC2 TS65173 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.44 COc1ccc2c(c1)cco2 TS01139 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.44 CSc1ccc2c(c1)CCN2 TS32983 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.44 c1c[nH]c2c1cc(cn2)C=O TS07197 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.44 c1cc(cc2c1cc[nH]2)C=O TS77184 [0,0,0,0,0,0|2,0,1]=3 9 B12R2.44 c1cc2c(cc1C#N)CCN2 TS03279 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.44 c1cc2c(cc1C#N)CCO2 TS07080 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.44 c1cc2c(cc1C#N)NCC2 TS48014 [0,0,0,0,0,0|3,0,1]=4 12 B12R2.44 c1cc2c(cc1C#N)OCO2 TS07298 [0,0,0,0,0,0|1,0,1]=2 13 B12R2.44 c1cc2c(cc1C=O)CCC2 TS07219 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.44 c1cc2c(cc1C=O)CCO2 TS00573 [0,0,0,0,0,0|1,0,0]=1 15 B12R2.44 c1cc2c(cc1C=O)OCO2 TS39812 [0,0,0,0,0,0|0,0,0]=0 16 B12R2.44 c1cc2c(cc1C=O)cn[nH]2 TS08693 [0,0,0,0,0,0|3,0,0]=3 17 B12R2.44 c1cc2c(cc1C=O)nc[nH]2 TS77183 [0,0,0,0,0,0|2,0,1]=3 18 B12R2.44 c1cc2c(cc1C=O)nno2 TS40601 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.44 c1cc2c(cc1C=O)nns2 TS42725 [0,0,0,0,0,0|2,1,0]=3 20 B12R2.44 c1cc2c(cc1C=O)nsn2 TS85322 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.44 c1cc2c(cc1CCl)CCO2 TS12611 [0,0,0,0,0,0|2,0,1]=3 22 B12R2.44 c1cc2c(cc1CCl)OCO2 TS12912 [0,0,0,0,0,0|1,0,1]=2 23 B12R2.44 c1cc2c(cc1CN)OCO2 TS41008 [0,0,0,0,0,0|1,0,1]=2 24 B12R2.44 c1cc2c(cc1CO)CCO2 TS09874 [0,0,0,0,0,0|1,0,2]=3 25 B12R2.44 c1cc2c(cc1CO)OCO2 TS10142 [0,0,0,0,0,0|0,0,2]=2 26 B12R2.44 c1cc2c(cc1[Mg]Br)OCO2 TS52204 [0,0,0,0,0,0|2,0,0]=2 27 B12R2.44 c1cc2c(cc[nH]2)cc1C=O TS01495 [0,0,0,0,0,0|2,0,1]=3 28 B12R2.44 c1cc2c(cco2)cc1C#N TS02003 [0,0,0,0,0,0|2,0,2]=4 29 B12R2.44 c1cc2c(cco2)cc1C=O TS00400 [0,0,0,0,0,0|1,0,1]=2 30 B12R2.44 c1cc2c(cco2)cc1CN TS00401 [0,0,0,0,0,0|2,0,2]=4 31 B12R2.44 c1cc2c(cco2)cc1CO TS07418 [0,0,0,0,0,0|1,0,3]=4 32 B12R2.44 c1cc2c(ccs2)cc1C=O TS42474 [0,0,0,0,0,0|1,1,1]=3 33 B12R2.44 c1cc2cn[nH]c2cc1C=O TS07200 [0,0,0,0,0,0|3,0,0]=3 34 B12R2.44 c1cc2nccn2cc1C=O TS02296 [0,0,0,0,0,0|3,0,1]=4 35 B12R2.44 c1cn2ccnc2cc1C=O TS87428 [0,0,0,0,0,0|3,0,1]=4 36 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [1,0,0,0,0,0|2,0,1]=4 37 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [1,0,0,0,0,0|2,0,1]=4 38 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,0,0,0,0,0|0,0,1]=2 39 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [1,0,0,0,0,0|1,0,2]=4 40 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [1,0,0,0,0,0|1,0,2]=4 41 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,0,0,0,0,0|2,0,0]=3 43 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [1,0,0,0,0,0|2,0,1]=4 44 B11R2.36 c1cc2c(cc1Br)ocn2 TS55557 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [1,0,0,0,0,0|1,0,0]=2 49 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [1,0,0,0,0,0|2,0,1]=4 50 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [1,0,0,0,0,0|3,0,0]=4 51 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,0,0,0,0,0|2,0,0]=3 54 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [1,0,0,0,0,0|1,0,0]=2 55 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,0,0,0,0,0|2,0,0]=3 57 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [1,0,0,0,0,0|3,0,0]=4 58 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [1,0,0,0,0,0|1,0,0]=2 59 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [1,0,0,0,0,0|2,0,1]=4 60 B11R2.36 c1cc2c(cc1N)ocn2 TS01204 [1,0,0,0,0,0|2,0,1]=4 61 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,0,0,0,0,0|2,0,1]=4 62 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,0,0,0,0,0|1,0,1]=3 63 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [1,0,0,0,0,0|0,0,1]=2 64 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [1,0,0,0,0,0|2,0,1]=4 65 B11R2.36 c1cc2c(cco2)cc1N TS36754 [1,0,0,0,0,0|2,0,1]=4 66 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [1,0,0,0,0,0|3,0,0]=4 67 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O TS47158 [0,1,0,0,0,0|2,0,1]=4 68 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O TS65769 [0,1,0,0,0,0|1,0,1]=3 69 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 TS42186 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 TS42442 [0,1,0,0,0,0|1,0,0]=2 71 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 TS11822 [0,1,0,0,0,0|0,0,0]=1 72 B13R2.430 CC(=O)c1ccc2c(c1)cc[nH]2 TS11147 [0,1,0,0,0,0|2,0,1]=4 73 B13R2.430 CC(=O)c1ccc2c(c1)cn[nH]2 TS86362 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.430 CC(=O)c1ccc2cn[nH]c2c1 TS89341 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.430 C[C@H](c1ccc2c(c1)CCO2)N TS11724 [0,1,0,0,0,0|2,0,1]=4 76 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O TS42280 [0,1,0,0,0,0|2,0,1]=4 77 B13R2.430 c1cc(cc2c1cco2)C(=O)O TS11495 [0,1,0,0,0,0|1,0,1]=3 78 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 TS19113 [0,1,0,0,0,0|1,0,0]=2 79 B13R2.430 c1cc2c(cc1C(=O)Cl)CCO2 TS07694 [0,1,0,0,0,0|1,0,0]=2 80 B13R2.430 c1cc2c(cc1C(=O)Cl)OCO2 TS15369 [0,1,0,0,0,0|0,0,0]=1 81 B13R2.430 c1cc2c(cc1C(=O)Cl)nns2 TS54120 [0,1,0,0,0,0|2,1,0]=4 82 B13R2.430 c1cc2c(cc1C(=O)Cl)non2 TS15062 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.430 c1cc2c(cc1C(=O)Cl)nsn2 TS18740 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.430 c1cc2c(cc1C(=O)N)OCO2 TS11998 [0,1,0,0,0,0|0,0,0]=1 85 B13R2.430 c1cc2c(cc1C(=O)O)CCN2 TS42558 [0,1,0,0,0,0|2,0,0]=3 86 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 TS47159 [0,1,0,0,0,0|1,0,0]=2 87 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 TS90031 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.430 c1cc2c(cc1C(=O)O)NCC2 TS11708 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.430 c1cc2c(cc1C(=O)O)OCC2 TS11817 [0,1,0,0,0,0|1,0,0]=2 90 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 TS12139 [0,1,0,0,0,0|0,0,0]=1 91 B13R2.430 c1cc2c(cc1C(=O)O)[nH]cn2 TS94297 [0,1,0,0,0,0|2,0,1]=4 92 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 TS71478 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 TS01369 [0,1,0,0,0,0|1,1,1]=4 94 B13R2.430 c1cc2c(cc1C(=O)O)nns2 TS47879 [0,1,0,0,0,0|2,1,0]=4 95 B13R2.430 c1cc2c(cc1C(=O)O)non2 TS11799 [0,1,0,0,0,0|3,0,0]=4 96 B13R2.430 c1cc2c(cc1C(=O)O)nsn2 TS39245 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.430 c1cc2c(cc1C(=O)O)scn2 TS00364 [0,1,0,0,0,0|1,1,1]=4 98 B13R2.430 c1cc2c(cc1C(=S)N)CCO2 TS47769 [0,1,0,0,0,0|1,1,0]=3 99 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 TS39219 [0,1,0,0,0,0|0,1,0]=2 100 B13R2.430 c1cc2c(cc1N(=O)=O)CCC2 TS11691 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.430 c1cc2c(cc1N(=O)=O)OCO2 TS33189 [0,1,0,0,0,0|1,0,0]=2 102 B13R2.430 c1cc2c(cc1[N+](=O)[O-])CCN2 TS11827 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.430 c1cc2c(cc1[N+](=O)[O-])NCC2 TS01284 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.430 c1cc2c(cc1[N+](=O)[O-])ocn2 TS59739 [0,1,0,0,0,0|2,0,1]=4 105 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS01496 [0,1,0,0,0,0|2,0,1]=4 106 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS94745 [0,1,0,0,0,0|2,0,1]=4 107 B13R2.430 c1cc2c(cco2)cc1C(=O)Cl TS47996 [0,1,0,0,0,0|1,0,1]=3 108 B13R2.430 c1cc2c(cco2)cc1C(=O)O TS01364 [0,1,0,0,0,0|1,0,1]=3 109 B13R2.430 c1cc2c(cco2)cc1C(=S)N TS46296 [0,1,0,0,0,0|1,1,1]=4 110 B13R2.430 c1cc2c(ccs2)cc1C(=O)Cl TS18375 [0,1,0,0,0,0|1,1,1]=4 111 B13R2.430 c1cc2c(ccs2)cc1C(=O)O TS00404 [0,1,0,0,0,0|1,1,1]=4 112 B13R2.430 c1cc2cn[nH]c2cc1C(=O)O TS00447 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.430 c1cc2cnoc2cc1[N+](=O)[O-] TS11798 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.449 C=CCc1ccc2c(c1)OCO2 TS42437 [0,1,0,0,0,0|1,0,0]=2 115 B13R2.449 CC=Cc1ccc2c(c1)OCO2 TS11542 [0,1,0,0,0,0|1,0,0]=2 116 B13R2.449 CCCc1ccc2c(c1)OCO2 TS11851 [0,1,0,0,0,0|1,0,1]=3 117 B13R2.449 CCNc1ccc2c(c1)OCO2 TS12021 [0,1,0,0,0,0|1,0,1]=3 118 B13R2.449 CNCc1ccc2c(c1)OCO2 TS42887 [0,1,0,0,0,0|1,0,1]=3 119 B13R2.449 c1cc2c(cc1C=NO)OCO2 TS11997 [0,1,0,0,0,0|0,0,1]=2 120 B13R2.449 c1cc2c(cc1CC#N)OCO2 TS11364 [0,1,0,0,0,0|1,0,1]=3 121 B13R2.449 c1cc2c(cc1CCBr)CCO2 TS71310 [0,1,0,0,0,0|2,0,1]=4 122 B13R2.449 c1cc2c(cc1CCCl)CCO2 TS94253 [0,1,0,0,0,0|2,0,1]=4 123 B13R2.449 c1cc2c(cc1CCN)OCO2 TS08537 [0,1,0,0,0,0|1,0,1]=3 124 B13R2.449 c1cc2c(cc1CCN)OCO2 TS19274 [0,1,0,0,0,0|1,0,1]=3 125 B13R2.449 c1cc2c(cc1CCO)OCO2 TS22867 [0,1,0,0,0,0|0,0,2]=3 126 B13R2.449 c1cc2c(cc1N=C=O)CCO2 TS08756 [0,1,0,0,0,0|1,0,1]=3 127 B13R2.449 c1cc2c(cc1N=C=S)OCO2 TS47706 [0,1,0,0,0,0|0,1,1]=3 128 B13R2.449 c1cc2c(cco2)cc1N=C=O TS11110 [0,1,0,0,0,0|1,0,2]=4 129 B13R2.599 c1c(c(cc2c1OCO2)Br)C#N TS52262 [0,1,0,0,0,0|1,0,1]=3 130 B13R2.599 c1c(c(cc2c1OCO2)Br)C=O TS55554 [0,1,0,0,0,0|0,0,0]=1 131 B13R2.599 c1c(c(cc2c1OCO2)Br)CO TS53119 [0,1,0,0,0,0|0,0,2]=3 132 B13R2.599 c1c(c(cc2c1OCO2)Cl)C=O TS15370 [0,1,0,0,0,0|0,0,0]=1 133 B13R2.599 c1c(c(cc2c1OCO2)Cl)CCl TS19903 [0,1,0,0,0,0|1,0,1]=3 134 B13R2.654 COc1cc(c2c(c1)OCO2)N TS12376 [0,1,0,0,0,0|2,0,0]=3 135 B13R2.654 c1c(cc(c2c1OCO2)Cl)CN TS15507 [0,1,0,0,0,0|1,0,1]=3 136 B13R2.654 c1c(cc2c(c1O)OCO2)C=O TS12136 [0,1,0,0,0,0|0,0,0]=1 137 B13R2.654 c1c(cc2c(c1O)OCO2)CO TS44832 [0,1,0,0,0,0|0,0,2]=3 138 B13R2.669 COc1ccc2c(c1)C(=O)CO2 TS42700 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.669 COc1ccc2c(c1)C(CO2)N TS19279 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.669 Cn1c2cc(ccc2cn1)C=O TS91664 [0,1,0,0,0,0|3,0,0]=4 141 B13R2.669 Cn1cnc2c1cc(cc2)C=O TS11245 [0,1,0,0,0,0|2,0,1]=4 142 B13R2.669 c1cc2c(cc1C=O)c(n[nH]2)I TS90024 [0,1,0,0,0,0|3,0,0]=4 143 B13R2.2121 Cn1cc2cc(ccc2n1)C=O TS89433 [0,1,0,0,0,0|3,0,0]=4 144 B13R2.2121 Cn1cc2ccc(cc2n1)C=O TS85890 [0,1,0,0,0,0|3,0,0]=4 145 B13R2.2130 Cn1c2ccc(cc2cn1)C=O TS86337 [0,1,0,0,0,0|3,0,0]=4 146 B13R2.2130 Cn1c2ccc(cc2nn1)C=O TS00464 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.2130 Cn1cnc2c1ccc(c2)C=O TS00465 [0,1,0,0,0,0|2,0,1]=4 148 B13R2.2130 c1cc2c(cc1C=O)[nH]nc2I TS87067 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [0,0,1,0,0,0|2,0,0]=3 150 B11R1.83 CCOc1ccc(cc1)C#C TS59514 [0,0,1,0,0,0|2,0,1]=4 151 B11R1.83 CCOc1ccc(cc1)C#N TS07333 [0,0,1,0,0,0|2,0,1]=4 152 B11R1.83 CCOc1ccc(cc1)C=C TS07479 [0,0,1,0,0,0|2,0,0]=3 153 B11R1.83 CCOc1ccc(cc1)C=O TS71098 [0,0,1,0,0,0|1,0,0]=2 154 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [0,0,1,0,0,0|2,0,1]=4 155 B11R1.83 CCOc1ccc(cc1)CO TS10188 [0,0,1,0,0,0|1,0,2]=4 156 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [0,0,1,0,0,0|2,0,1]=4 157 B11R1.83 CCSc1ccc(cc1)C=O TS12276 [0,0,1,0,0,0|1,1,0]=3 158 B11R1.83 CCc1ccc(cc1)OCC TS40919 [0,0,1,0,0,0|2,0,1]=4 159 B11R1.83 COc1ccc(cc1)CCO TS41151 [0,0,1,0,0,0|3,0,0]=4 160 B11R1.189 CCOc1cccc(c1)C=O TS09862 [0,0,1,0,0,0|1,0,0]=2 161 B11R1.189 CCOc1cccc(c1)CO TS41134 [0,0,1,0,0,0|1,0,2]=4 162 B11R1.189 COc1cccc(c1)CCO TS41136 [0,0,1,0,0,0|3,0,0]=4 163 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [0,0,1,0,0,0|2,0,0]=3 164 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [0,0,1,0,0,0|2,0,0]=3 165 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [0,0,1,0,0,0|3,0,0]=4 166 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [0,0,1,0,0,0|3,0,0]=4 167 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [0,0,1,0,0,0|3,0,0]=4 168 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [0,0,1,0,0,0|3,0,0]=4 169 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [0,0,1,0,0,0|3,0,0]=4 170 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [0,0,1,0,0,0|2,0,0]=3 171 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [0,0,1,0,0,0|2,1,0]=4 172 B11R1.279 COc1ccc(cc1Br)C#N TS09329 [0,0,1,0,0,0|2,0,1]=4 173 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [0,0,1,0,0,0|1,0,0]=2 174 B11R1.279 COc1ccc(cc1Br)CN TS21977 [0,0,1,0,0,0|2,0,1]=4 175 B11R1.279 COc1ccc(cc1Br)CO TS59850 [0,0,1,0,0,0|1,0,2]=4 176 B11R1.279 COc1ccc(cc1Cl)C#N TS32933 [0,0,1,0,0,0|2,0,1]=4 177 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [0,0,1,0,0,0|1,0,0]=2 178 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [0,0,1,0,0,0|2,0,1]=4 179 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [0,0,1,0,0,0|2,0,1]=4 180 B11R1.279 COc1ccc(cc1F)C#N TS40985 [0,0,1,0,0,0|2,0,1]=4 181 B11R1.279 COc1ccc(cc1F)CBr TS65514 [0,0,1,0,0,0|2,0,1]=4 182 B11R1.279 COc1ccc(cc1F)CN TS41508 [0,0,1,0,0,0|2,0,1]=4 183 B11R1.279 COc1ccc(cc1F)CO TS41603 [0,0,1,0,0,0|1,0,2]=4 184 B11R1.279 COc1ccc(cc1F)[Mg]Br TS52886 [0,0,1,0,0,0|3,0,0]=4 185 B11R1.279 COc1ccc(cc1I)C=O TS08986 [0,0,1,0,0,0|1,0,0]=2 186 B11R1.279 COc1ccc(cc1O)C#N TS70607 [0,0,1,0,0,0|1,0,1]=3 187 B11R1.279 COc1ccc(cc1O)C=O TS70606 [0,0,1,0,0,0|0,0,0]=1 188 B11R1.279 COc1ccc(cc1O)CN TS16250 [0,0,1,0,0,0|1,0,1]=3 189 B11R1.279 COc1ccc(cc1O)CO TS10408 [0,0,1,0,0,0|0,0,2]=3 190 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [0,0,1,0,0,0|1,0,0]=2 191 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [0,0,1,0,0,0|2,0,1]=4 192 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [0,0,1,0,0,0|1,0,2]=4 193 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [0,0,1,0,0,0|3,0,0]=4 194 B11R1.279 c1cc(c(cc1C=O)F)C#N TS39660 [0,0,1,0,0,0|3,0,0]=4 195 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [0,0,1,0,0,0|3,0,0]=4 196 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [0,0,1,0,0,0|1,0,1]=3 197 B11R1.280 COc1cc(ccc1F)C#N TS71118 [0,0,1,0,0,0|2,0,1]=4 198 B11R1.280 COc1cc(ccc1F)C=O TS02813 [0,0,1,0,0,0|1,0,0]=2 199 B11R1.280 COc1cc(ccc1F)CBr TS60401 [0,0,1,0,0,0|2,0,1]=4 200 B11R1.280 COc1cc(ccc1F)CCl TS13590 [0,0,1,0,0,0|2,0,1]=4 201 B11R1.280 COc1cc(ccc1F)CO TS41605 [0,0,1,0,0,0|1,0,2]=4 202 B11R1.280 COc1cc(ccc1O)C#N TS03114 [0,0,1,0,0,0|1,0,1]=3 203 B11R1.280 COc1cc(ccc1O)C=C TS40861 [0,0,1,0,0,0|1,0,0]=2 204 B11R1.280 COc1cc(ccc1O)C=O TS02812 [0,0,1,0,0,0|0,0,0]=1 205 B11R1.280 COc1cc(ccc1O)CN TS16249 [0,0,1,0,0,0|1,0,1]=3 206 B11R1.280 COc1cc(ccc1O)CO TS10411 [0,0,1,0,0,0|0,0,2]=3 207 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [0,0,1,0,0,0|3,0,0]=4 208 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [0,0,1,0,0,0|3,0,0]=4 209 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [0,0,1,0,0,0|3,0,0]=4 210 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [0,0,1,0,0,0|3,0,0]=4 211 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [0,0,1,0,0,0|3,0,0]=4 212 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [0,0,1,0,0,0|2,1,0]=4 213 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [0,0,1,0,0,0|2,0,1]=4 214 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [0,0,1,0,0,0|1,0,0]=2 215 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [0,0,1,0,0,0|3,0,0]=4 216 B11R1.280 c1cc(c(cc1C=O)C#N)F TS09714 [0,0,1,0,0,0|3,0,0]=4 217 B11R1.280 c1cc(c(cc1C=O)C=O)O TS07649 [0,0,1,0,0,0|2,0,0]=3 218 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [0,0,0,0,1,0|1,0,1]=3 219 B13R2.57 COc1ccc2c(c1)NCCO2 TS12016 [0,0,0,0,0,1|3,0,0]=4 220 B13R2.57 [C-]#[N+]c1ccc2c(c1)OCCO2 TS11366 [0,0,0,0,0,1|2,0,0]=3 221 B13R2.57 c1c(cnc2c1OCCO2)C=O TS22982 [0,0,0,0,0,1|1,0,0]=2 222 B13R2.57 c1c(ncc2c1OCCO2)C=O TS60231 [0,0,0,0,0,1|1,0,0]=2 223 B13R2.57 c1cc2c(cc1C#N)OCCO2 TS11365 [0,0,0,0,0,1|1,0,1]=3 224 B13R2.57 c1cc2c(cc1C=O)CCCC2 TS42183 [0,0,0,0,0,1|2,0,0]=3 225 B13R2.57 c1cc2c(cc1C=O)OCCO2 TS39994 [0,0,0,0,0,1|0,0,0]=1 226 B13R2.57 c1cc2c(cc1C=O)cncn2 TS41878 [0,0,0,0,0,1|2,0,1]=4 227 B13R2.57 c1cc2c(cc1C=O)nccn2 TS59385 [0,0,0,0,0,1|2,0,1]=4 228 B13R2.57 c1cc2c(cc1CN)CCCO2 TS11733 [0,0,0,0,0,1|2,0,1]=4 229 B13R2.57 c1cc2c(cc1CN)OCCO2 TS65768 [0,0,0,0,0,1|1,0,1]=3 230 B13R2.57 c1cc2c(cc1CO)OCCO2 TS08780 [0,0,0,0,0,1|0,0,2]=3 231 B13R2.57 c1cc2c(cc1NN)OCCO2 TS00562 [0,0,0,0,0,1|2,0,0]=3 232 B13R2.57 c1cc2c(nc1C=O)OCCO2 TS16352 [0,0,0,0,0,1|1,0,0]=2 233 B13R2.57 c1cc2cc(ccc2nc1)C=O TS41761 [0,0,0,0,0,1|2,0,1]=4 234 B13R2.57 c1cc2ccc(cc2nc1)C=O TS16521 [0,0,0,0,0,1|2,0,1]=4 235 B13R2.57 c1ccc2cc(ccc2c1)C=O TS10684 [0,0,0,0,0,1|2,0,1]=4 236 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,0,1,0,0,0|2,0,0]=4 237 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,0,1,0,0,0|1,0,1]=4 238 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,0,1,0,0,0|2,0,0]=4 239 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,0,1,0,0,0|2,0,0]=4 240 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,0,1,0,0,0|2,0,0]=4 241 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,0,1,0,0,0|2,0,0]=4 242 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,0,1,0,0,0|2,0,0]=4 243 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,0,1,0,0,0|1,0,1]=4 244 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [1,0,1,0,0,0|2,0,0]=4 245 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,0,1,0,0,0|1,0,1]=4 246 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,0,1,0,0,0|2,0,0]=4 247 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,0,1,0,0,0|2,0,0]=4 248 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,0,1,0,0,0|2,0,0]=4 249 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,0,1,0,0,0|2,0,0]=4 250 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,0,1,0,0,0|1,0,1]=4 251 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [1,0,1,0,0,0|1,0,1]=4 252 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [1,0,1,0,0,0|1,0,1]=4 253 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,0,1,0,0,0|1,0,0]=3 254 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,0,1,0,0,0|1,0,0]=3 255 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,0,1,0,0,0|2,0,0]=4 256 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,0,1,0,0,0|1,0,0]=3 257 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,0,1,0,0,0|1,0,1]=4 258 B10R1.3 CCc1ccc(cc1)OC TS06096 [1,0,1,0,0,0|1,0,1]=4 259 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,0,1,0,0,0|2,0,0]=4 260 B10R1.3 COc1ccc(cc1)C#C TS03157 [1,0,1,0,0,0|1,0,1]=4 261 B10R1.3 COc1ccc(cc1)C#N TS07812 [1,0,1,0,0,0|1,0,1]=4 262 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,0,1,0,0,0|1,0,0]=3 263 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,0,1,0,0,0|0,0,0]=2 264 B10R1.3 COc1ccc(cc1)CBr TS03143 [1,0,1,0,0,0|1,0,1]=4 265 B10R1.3 COc1ccc(cc1)CCl TS60060 [1,0,1,0,0,0|1,0,1]=4 266 B10R1.3 COc1ccc(cc1)CN TS03142 [1,0,1,0,0,0|1,0,1]=4 267 B10R1.3 COc1ccc(cc1)CS TS03144 [1,0,1,0,0,0|0,1,1]=4 268 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [1,0,1,0,0,0|1,0,1]=4 269 B10R1.3 COc1ccc(cc1)NN TS45874 [1,0,1,0,0,0|2,0,0]=4 270 B10R1.3 COc1ccc(cc1)OC TS07887 [1,0,1,0,0,0|2,0,0]=4 271 B10R1.3 COc1ccc(cc1)SC TS41410 [1,0,1,0,0,0|2,0,0]=4 272 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [1,0,1,0,0,0|2,0,0]=4 273 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [1,0,1,0,0,0|2,0,0]=4 274 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [1,0,1,0,0,0|2,0,0]=4 275 B10R1.3 COc1ccc(cn1)C=O TS55618 [1,0,1,0,0,0|1,0,0]=3 276 B10R1.3 COc1ccc(nc1)C=O TS87371 [1,0,1,0,0,0|1,0,0]=3 277 B10R1.3 COc1ncc(cn1)C=O TS55436 [1,0,1,0,0,0|2,0,0]=4 278 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,0,1,0,0,0|0,1,0]=3 279 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,0,1,0,0,0|2,0,0]=4 280 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [1,0,1,0,0,0|1,0,1]=4 281 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [1,0,1,0,0,0|0,0,2]=4 282 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,0,1,0,0,0|1,0,0]=3 283 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,0,1,0,0,0|1,0,1]=4 284 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,0,1,0,0,0|1,0,1]=4 285 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,0,1,0,0,0|1,0,1]=4 286 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,0,1,0,0,0|1,0,1]=4 287 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,0,1,0,0,0|0,0,2]=4 288 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,0,1,0,0,0|2,0,0]=4 289 B10R1.10 CCOc1cccc(c1)C TS06098 [1,0,1,0,0,0|1,0,1]=4 290 B10R1.10 CCOc1cccc(c1)F TS37372 [1,0,1,0,0,0|2,0,0]=4 291 B10R1.10 CCOc1cccc(c1)N TS37121 [1,0,1,0,0,0|2,0,0]=4 292 B10R1.10 CCOc1cccc(c1)O TS06261 [1,0,1,0,0,0|1,0,1]=4 293 B10R1.10 CCOc1cccc(c1)S TS41409 [1,0,1,0,0,0|1,1,0]=4 294 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,0,1,0,0,0|1,0,1]=4 295 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,0,1,0,0,0|2,0,0]=4 296 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,0,1,0,0,0|2,0,0]=4 297 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,0,1,0,0,0|2,0,0]=4 298 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,0,1,0,0,0|2,0,0]=4 299 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,0,1,0,0,0|1,0,1]=4 300 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,0,1,0,0,0|1,0,1]=4 301 B10R1.172 C=Cc1cccc(c1)C=O TS05736 [1,0,1,0,0,0|1,0,1]=4 302 B10R1.172 CCc1cccc(c1)C=O TS36830 [1,0,1,0,0,0|1,0,0]=3 303 B10R1.172 CNc1cccc(c1)OC TS37104 [1,0,1,0,0,0|2,0,0]=4 304 B10R1.172 COc1cc(ccn1)C=O TS55432 [1,0,1,0,0,0|1,0,0]=3 305 B10R1.172 COc1cc(cnc1)C=O TS37089 [1,0,1,0,0,0|1,0,0]=3 306 B10R1.172 COc1cccc(c1)C#C TS36666 [1,0,1,0,0,0|1,0,1]=4 307 B10R1.172 COc1cccc(c1)C#N TS39448 [1,0,1,0,0,0|1,0,1]=4 308 B10R1.172 COc1cccc(c1)C=O TS02819 [1,0,1,0,0,0|0,0,0]=2 309 B10R1.172 COc1cccc(c1)CBr TS38037 [1,0,1,0,0,0|1,0,1]=4 310 B10R1.172 COc1cccc(c1)CCl TS39449 [1,0,1,0,0,0|1,0,1]=4 311 B10R1.172 COc1cccc(c1)CN TS60017 [1,0,1,0,0,0|1,0,1]=4 312 B10R1.172 COc1cccc(c1)CO TS39311 [1,0,1,0,0,0|0,0,2]=4 313 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [1,0,1,0,0,0|1,0,1]=4 314 B10R1.172 COc1cccc(c1)NN TS02825 [1,0,1,0,0,0|2,0,0]=4 315 B10R1.172 COc1cccc(c1)OC TS46804 [1,0,1,0,0,0|2,0,0]=4 316 B10R1.172 COc1cccc(c1)SC TS41406 [1,0,1,0,0,0|2,0,0]=4 317 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [1,0,1,0,0,0|2,0,0]=4 318 B10R1.172 COc1cccc(n1)C=O TS01259 [1,0,1,0,0,0|1,0,0]=3 319 B10R1.172 c1c(cncc1C=O)CN TS06067 [1,0,1,0,0,0|2,0,0]=4 320 B10R1.172 c1cc(cc(c1)C#N)C=O TS66017 [1,0,1,0,0,0|1,0,1]=4 321 B10R1.172 c1cc(cc(c1)C=O)C=O TS59648 [1,0,1,0,0,0|0,0,2]=4 322 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [1,0,1,0,0,0|1,0,0]=3 323 B10R1.172 c1cc(cc(c1)CBr)CO TS38049 [1,0,1,0,0,0|1,0,1]=4 324 B10R1.172 c1cc(cc(c1)CO)CO TS06249 [1,0,1,0,0,0|0,0,2]=4 325 B10R1.172 c1cc(nc(c1)C=O)CF TS37266 [1,0,1,0,0,0|2,0,0]=4 326 B10R1.172 c1cnc(cc1C=O)CN TS06057 [1,0,1,0,0,0|2,0,0]=4 327 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,0,1,0,0,0|1,0,1]=4 328 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [1,0,1,0,0,0|2,0,0]=4 329 B10R1.25 COc1ccc(cc1Br)Br TS73450 [1,0,1,0,0,0|2,0,0]=4 330 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [1,0,1,0,0,0|2,0,0]=4 331 B10R1.25 COc1ccc(cc1Br)F TS55106 [1,0,1,0,0,0|2,0,0]=4 332 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [1,0,1,0,0,0|2,0,0]=4 333 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [1,0,1,0,0,0|2,0,0]=4 334 B10R1.25 COc1ccc(cc1Cl)F TS09271 [1,0,1,0,0,0|2,0,0]=4 335 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,0,1,0,0,0|2,0,0]=4 336 B10R1.25 COc1ccc(cc1F)Br TS60384 [1,0,1,0,0,0|2,0,0]=4 337 B10R1.25 COc1ccc(cc1F)Cl TS39482 [1,0,1,0,0,0|2,0,0]=4 338 B10R1.25 COc1ccc(cc1F)F TS09234 [1,0,1,0,0,0|2,0,0]=4 339 B10R1.25 COc1ccc(cc1F)N TS02745 [1,0,1,0,0,0|2,0,0]=4 340 B10R1.25 COc1ccc(cc1F)O TS02753 [1,0,1,0,0,0|1,0,1]=4 341 B10R1.25 COc1ccc(cc1F)S TS10975 [1,0,1,0,0,0|1,1,0]=4 342 B10R1.25 COc1ccc(cc1I)Cl TS39489 [1,0,1,0,0,0|2,0,0]=4 343 B10R1.25 COc1ccc(cc1I)N TS39440 [1,0,1,0,0,0|2,0,0]=4 344 B10R1.25 COc1ccc(cc1I)N TS54863 [1,0,1,0,0,0|2,0,0]=4 345 B10R1.25 COc1ccc(cc1N)Br TS38194 [1,0,1,0,0,0|2,0,0]=4 346 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,0,1,0,0,0|2,0,0]=4 347 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,0,1,0,0,0|2,0,0]=4 348 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,0,1,0,0,0|2,0,0]=4 349 B10R1.25 COc1ccc(cc1N)F TS07833 [1,0,1,0,0,0|2,0,0]=4 350 B10R1.25 COc1ccc(cc1N)I TS65363 [1,0,1,0,0,0|2,0,0]=4 351 B10R1.25 COc1ccc(cc1N)N TS37199 [1,0,1,0,0,0|2,0,0]=4 352 B10R1.25 COc1ccc(cc1N)N TS43949 [1,0,1,0,0,0|2,0,0]=4 353 B10R1.25 COc1ccc(cc1N)N TS56780 [1,0,1,0,0,0|2,0,0]=4 354 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,0,1,0,0,0|1,0,0]=3 355 B10R1.25 COc1ccc(cc1O)F TS07835 [1,0,1,0,0,0|1,0,0]=3 356 B10R1.25 COc1ccc(cc1O)N TS37282 [1,0,1,0,0,0|1,0,0]=3 357 B10R1.25 COc1ccc(cc1O)O TS06433 [1,0,1,0,0,0|0,0,1]=3 358 B10R1.25 COc1ccc(cc1S)F TS10974 [1,0,1,0,0,0|1,1,0]=4 359 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [1,0,1,0,0,0|2,0,0]=4 360 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [1,0,1,0,0,0|2,0,0]=4 361 B10R1.25 Cc1cc(ccc1OC)F TS06457 [1,0,1,0,0,0|2,0,0]=4 362 B10R1.25 Cc1cc(ccc1OC)I TS62512 [1,0,1,0,0,0|2,0,0]=4 363 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,0,1,0,0,0|2,0,0]=4 364 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,0,1,0,0,0|1,0,1]=4 365 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,0,1,0,0,0|1,0,1]=4 366 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,0,1,0,0,0|1,0,1]=4 367 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,0,1,0,0,0|1,0,1]=4 368 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,0,1,0,0,0|1,0,1]=4 369 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,0,1,0,0,0|1,0,1]=4 370 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,0,1,0,0,0|0,0,1]=3 371 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,0,1,0,0,0|1,0,1]=4 372 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [1,0,1,0,0,0|2,0,0]=4 373 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,0,1,0,0,0|1,0,0]=3 374 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,0,1,0,0,0|1,0,0]=3 375 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [1,0,1,0,0,0|2,0,0]=4 376 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [1,0,1,0,0,0|2,0,0]=4 377 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [1,0,1,0,0,0|2,0,0]=4 378 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,0,1,0,0,0|1,0,0]=3 379 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [1,0,1,0,0,0|1,0,0]=3 380 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,0,1,0,0,0|0,0,0]=2 381 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [1,0,1,0,0,0|1,0,1]=4 382 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [1,0,1,0,0,0|2,0,0]=4 383 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [1,0,1,0,0,0|1,0,1]=4 384 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [1,0,1,0,0,0|2,0,0]=4 385 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [1,0,1,0,0,0|2,0,0]=4 386 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [1,0,1,0,0,0|1,0,0]=3 387 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [1,0,1,0,0,0|2,0,0]=4 388 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [1,0,1,0,0,0|2,0,0]=4 389 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [1,0,1,0,0,0|1,0,0]=3 390 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [1,0,1,0,0,0|2,0,0]=4 391 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [1,0,1,0,0,0|2,0,0]=4 392 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [1,0,1,0,0,0|2,0,0]=4 393 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [1,0,1,0,0,0|2,0,0]=4 394 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [1,0,1,0,0,0|1,0,0]=3 395 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [1,0,1,0,0,0|2,0,0]=4 396 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [1,0,1,0,0,0|2,0,0]=4 397 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [1,0,1,0,0,0|1,0,0]=3 398 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [1,0,1,0,0,0|1,0,0]=3 399 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [1,0,1,0,0,0|0,0,0]=2 400 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [1,0,1,0,0,0|1,0,1]=4 401 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [1,0,1,0,0,0|1,0,1]=4 402 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,0,1,0,0,0|0,0,2]=4 403 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,0,1,0,0,0|2,0,0]=4 404 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,0,1,0,0,0|1,0,1]=4 405 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [1,0,1,0,0,0|0,0,1]=3 406 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [1,0,1,0,0,0|2,0,0]=4 407 B10R1.30 COc1cc(ccc1Br)F TS65379 [1,0,1,0,0,0|2,0,0]=4 408 B10R1.30 COc1cc(ccc1Br)I TS01774 [1,0,1,0,0,0|2,0,0]=4 409 B10R1.30 COc1cc(ccc1Br)N TS00018 [1,0,1,0,0,0|2,0,0]=4 410 B10R1.30 COc1cc(ccc1Br)O TS00019 [1,0,1,0,0,0|1,0,1]=4 411 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [1,0,1,0,0,0|2,0,0]=4 412 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [1,0,1,0,0,0|2,0,0]=4 413 B10R1.30 COc1cc(ccc1Cl)F TS09281 [1,0,1,0,0,0|2,0,0]=4 414 B10R1.30 COc1cc(ccc1Cl)N TS10907 [1,0,1,0,0,0|2,0,0]=4 415 B10R1.30 COc1cc(ccc1F)Br TS19895 [1,0,1,0,0,0|2,0,0]=4 416 B10R1.30 COc1cc(ccc1F)F TS65344 [1,0,1,0,0,0|2,0,0]=4 417 B10R1.30 COc1cc(ccc1N)Br TS70959 [1,0,1,0,0,0|2,0,0]=4 418 B10R1.30 COc1cc(ccc1N)F TS93806 [1,0,1,0,0,0|2,0,0]=4 419 B10R1.30 COc1cc(ccc1N)N TS56779 [1,0,1,0,0,0|2,0,0]=4 420 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,0,1,0,0,0|1,0,0]=3 421 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,0,1,0,0,0|1,0,0]=3 422 B10R1.30 COc1cc(ccc1O)F TS37549 [1,0,1,0,0,0|1,0,0]=3 423 B10R1.30 COc1cc(ccc1O)O TS37335 [1,0,1,0,0,0|0,0,1]=3 424 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [1,0,1,0,0,0|1,0,1]=4 425 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,0,1,0,0,0|1,0,1]=4 426 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [1,0,1,0,0,0|1,0,1]=4 427 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,0,1,0,0,0|0,0,1]=3 428 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,0,1,0,0,0|2,0,0]=4 429 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,0,1,0,0,0|2,0,0]=4 430 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,0,1,0,0,0|2,0,0]=4 431 B10R2.7 B1Oc2ccccc2O1 TS39809 [2,0,0,0,0,0|1,0,0]=3 432 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [2,0,0,0,0,0|2,0,0]=4 433 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [2,0,0,0,0,0|2,0,0]=4 434 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [2,0,0,0,0,0|1,0,0]=3 435 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [2,0,0,0,0,0|2,0,0]=4 436 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [2,0,0,0,0,0|0,0,0]=2 437 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [2,0,0,0,0,0|0,2,0]=4 438 B10R2.7 c1ccc2c(c1)cco2 TS39813 [2,0,0,0,0,0|1,0,1]=4 439 B10R2.7 c1ccc2c(c1)cno2 TS32395 [2,0,0,0,0,0|2,0,0]=4 440 B10R2.7 c1ccc2c(c1)nco2 TS32393 [2,0,0,0,0,0|1,0,1]=4 441 B12R1.4 CC(=O)Oc1ccc(cc1)C=O TS02943 [0,1,1,0,0,0|0,0,2]=4 442 B12R1.4 CC(C)Cc1ccc(cc1)C=O TS09724 [0,1,1,0,0,0|2,0,0]=4 443 B12R1.4 CC(C)Oc1ccc(cc1)C=O TS09726 [0,1,1,0,0,0|1,0,0]=3 444 B12R1.4 CC(C)Oc1ccc(cn1)C=O TS39351 [0,1,1,0,0,0|2,0,0]=4 445 B12R1.4 c1cc(ccc1C=O)OC(F)F TS03076 [0,1,1,0,0,0|1,0,0]=3 446 B12R1.71 C=CCOc1ccc(cc1)C=O TS42436 [0,1,1,0,0,0|1,0,0]=3 447 B12R1.71 CCCCc1ccc(cc1)C=O TS11589 [0,1,1,0,0,0|2,0,0]=4 448 B12R1.71 CCCOc1ccc(cc1)C=O TS71267 [0,1,1,0,0,0|1,0,0]=3 449 B12R1.71 c1cc(ccc1C=O)OCCBr TS52797 [0,1,1,0,0,0|1,0,0]=3 450 B12R1.71 c1cc(ccc1C=O)OCCCl TS15386 [0,1,1,0,0,0|1,0,0]=3 451 B12R1.71 c1cc(ccc1C=O)OCCO TS12190 [0,1,1,0,0,0|0,0,0]=2 452 B12R1.113 CC(=O)c1ccc(cc1)CCBr TS39570 [0,1,1,0,0,0|2,0,0]=4 453 B12R1.113 CC(=O)c1ccc(cc1)CCCl TS15067 [0,1,1,0,0,0|2,0,0]=4 454 B12R1.113 CC(=O)c1ccc(cc1)OCF TS44847 [0,1,1,0,0,0|1,0,0]=3 455 B12R1.113 CCCc1ccc(cc1)C(=O)C TS11598 [0,1,1,0,0,0|2,0,0]=4 456 B12R1.113 CCCc1ccc(cc1)C(=O)Cl TS48367 [0,1,1,0,0,0|2,0,0]=4 457 B12R1.113 CCCc1ccc(cc1)C(=O)N TS11728 [0,1,1,0,0,0|2,0,0]=4 458 B12R1.113 CCCc1ccc(cc1)C(=O)O TS11894 [0,1,1,0,0,0|2,0,0]=4 459 B12R1.113 CCNc1ccc(cc1)C(=O)O TS12030 [0,1,1,0,0,0|2,0,0]=4 460 B12R1.113 CCOc1ccc(cc1)C(=O)C TS42745 [0,1,1,0,0,0|1,0,0]=3 461 B12R1.113 CCOc1ccc(cc1)C(=O)C TS92946 [0,1,1,0,0,0|1,0,0]=3 462 B12R1.113 CCOc1ccc(cc1)C(=O)Cl TS71099 [0,1,1,0,0,0|1,0,0]=3 463 B12R1.113 CCOc1ccc(cc1)C(=O)N TS12024 [0,1,1,0,0,0|1,0,0]=3 464 B12R1.113 CCOc1ccc(cc1)C(=O)O TS12183 [0,1,1,0,0,0|1,0,0]=3 465 B12R1.113 CCOc1ccc(cc1)C(=S)N TS14828 [0,1,1,0,0,0|1,1,0]=4 466 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] TS43199 [0,1,1,0,0,0|2,0,0]=4 467 B12R1.113 CCSc1ccc(cc1)C(=O)O TS15007 [0,1,1,0,0,0|1,1,0]=4 468 B12R1.113 c1cc(ccc1CCBr)C(=O)O TS39728 [0,1,1,0,0,0|2,0,0]=4 469 B12R1.113 c1cc(ccc1CCCl)C(=O)O TS48660 [0,1,1,0,0,0|2,0,0]=4 470 B12R1.113 c1cc(ccc1CCN)C(=O)O TS12022 [0,1,1,0,0,0|2,0,0]=4 471 B12R1.113 c1cc(ccc1CCN)C(=O)O TS19273 [0,1,1,0,0,0|2,0,0]=4 472 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] TS12374 [0,1,1,0,0,0|2,0,0]=4 473 B12R1.114 CCOc1ccc(cc1F)C=O TS44854 [0,1,1,0,0,0|1,0,0]=3 474 B12R1.116 CCOc1ccc(cc1)N=C=O TS11707 [0,1,1,0,0,0|1,0,1]=4 475 B12R1.288 CCOc1ccc(c(c1)O)C=O TS43031 [0,1,1,0,0,0|1,0,0]=3 476 B12R1.270 CCOc1cc(ccc1O)C=O TS12168 [0,1,1,0,0,0|1,0,0]=3 477 B12R1.279 CCOc1cc(ccn1)C(=O)O TS43218 [0,1,1,0,0,0|2,0,0]=4 478 B12R1.279 CCOc1cccc(c1)C(=N)N TS11900 [0,1,1,0,0,0|2,0,0]=4 479 B12R1.279 CCOc1cccc(c1)C(=O)C TS42753 [0,1,1,0,0,0|1,0,0]=3 480 B12R1.279 CCOc1cccc(c1)C(=O)Cl TS48667 [0,1,1,0,0,0|1,0,0]=3 481 B12R1.279 CCOc1cccc(c1)C(=O)N TS12001 [0,1,1,0,0,0|1,0,0]=3 482 B12R1.279 CCOc1cccc(c1)C(=O)O TS12184 [0,1,1,0,0,0|1,0,0]=3 483 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] TS43203 [0,1,1,0,0,0|2,0,0]=4 484 B12R1.279 CCOc1cccc(n1)C(=O)O TS43204 [0,1,1,0,0,0|2,0,0]=4 485 B12R1.279 c1cc(cc(c1)[N+](=O)[O-])CCO TS43208 [0,1,1,0,0,0|2,0,0]=4 486 B12R1.280 CCOc1cccc(c1O)C=O TS12195 [0,1,1,0,0,0|1,0,0]=3 487 B12R1.382 COCOc1cccc(c1)C=O TS12186 [0,1,1,0,0,0|0,0,0]=2 488 B12R1.382 c1cc(cc(c1)C#CCO)C=O TS42133 [0,1,1,0,0,0|1,0,0]=3 489 B12R1.382 c1cc(cc(c1)OCCO)C=O TS12164 [0,1,1,0,0,0|0,0,0]=2 490 B12R1.438 CC(=O)Oc1cccc(c1)C=O TS02614 [0,1,1,0,0,0|0,0,2]=4 491 B12R1.438 c1cc(cc(c1)OC(F)F)C=O TS65699 [0,1,1,0,0,0|1,0,0]=3 492 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC TS60195 [0,1,1,0,0,0|1,0,0]=3 493 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC TS15382 [0,1,1,0,0,0|1,0,0]=3 494 B12R1.48 CC(=O)c1ccc(c(c1)F)OC TS65512 [0,1,1,0,0,0|1,0,0]=3 495 B12R1.48 CC(=O)c1ccc(c(c1)I)OC TS31071 [0,1,1,0,0,0|1,0,0]=3 496 B12R1.48 CC(=O)c1ccc(c(c1)O)OC TS12200 [0,1,1,0,0,0|0,0,0]=2 497 B12R1.48 CCc1ccc(cc1Br)C(=O)O TS52793 [0,1,1,0,0,0|2,0,0]=4 498 B12R1.48 CCc1ccc(cc1I)C(=O)O TS31070 [0,1,1,0,0,0|2,0,0]=4 499 B12R1.48 CCc1ccc(cc1N)C(=O)O TS08863 [0,1,1,0,0,0|2,0,0]=4 500 B12R1.48 CCc1ccc(cc1O)C(=O)O TS43034 [0,1,1,0,0,0|1,0,0]=3 501 B12R1.48 CNc1ccc(cc1Br)C(=O)O TS24819 [0,1,1,0,0,0|2,0,0]=4 502 B12R1.48 CNc1ccc(cc1I)C(=O)O TS31198 [0,1,1,0,0,0|2,0,0]=4 503 B12R1.48 CNc1ccc(cc1N)C(=O)O TS12227 [0,1,1,0,0,0|2,0,0]=4 504 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl TS65155 [0,1,1,0,0,0|2,0,0]=4 505 B12R1.48 COc1ccc(cc1Br)C(=N)N TS24663 [0,1,1,0,0,0|2,0,0]=4 506 B12R1.48 COc1ccc(cc1Br)C(=O)O TS09328 [0,1,1,0,0,0|1,0,0]=3 507 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] TS53254 [0,1,1,0,0,0|2,0,0]=4 508 B12R1.48 COc1ccc(cc1Cl)C(=O)O TS15714 [0,1,1,0,0,0|1,0,0]=3 509 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] TS08830 [0,1,1,0,0,0|2,0,0]=4 510 B12R1.48 COc1ccc(cc1F)C(=O)O TS65513 [0,1,1,0,0,0|1,0,0]=3 511 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] TS55345 [0,1,1,0,0,0|2,0,0]=4 512 B12R1.48 COc1ccc(cc1I)C(=O)O TS39441 [0,1,1,0,0,0|1,0,0]=3 513 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] TS54200 [0,1,1,0,0,0|2,0,0]=4 514 B12R1.48 COc1ccc(cc1N)C(=O)N TS12206 [0,1,1,0,0,0|1,0,0]=3 515 B12R1.48 COc1ccc(cc1N)C(=O)O TS43206 [0,1,1,0,0,0|1,0,0]=3 516 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] TS01096 [0,1,1,0,0,0|2,0,0]=4 517 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] TS19862 [0,1,1,0,0,0|2,0,0]=4 518 B12R1.48 COc1ccc(cc1O)C(=O)O TS44828 [0,1,1,0,0,0|0,0,0]=2 519 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] TS12651 [0,1,1,0,0,0|1,0,0]=3 520 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] TS52156 [0,1,1,0,0,0|1,0,0]=3 521 B12R1.48 COc1ccc(nc1Br)C(=O)O TS53250 [0,1,1,0,0,0|2,0,0]=4 522 B12R1.48 Cc1cc(ccc1OC)C(=O)O TS12189 [0,1,1,0,0,0|1,0,0]=3 523 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] TS12371 [0,1,1,0,0,0|2,0,0]=4 524 B12R1.48 c1cc(c(cc1C(=O)O)O)C=O TS12141 [0,1,1,0,0,0|2,0,0]=4 525 B12R1.78 COc1cc(ccc1SC)C=O TS15004 [0,1,1,0,0,0|0,1,0]=3 526 B12R1.78 COc1ccc(c(c1)CO)OC TS44863 [0,1,1,0,0,0|2,0,0]=4 527 B12R1.78 COc1ccc(c(c1)OC)OC TS12521 [0,1,1,0,0,0|2,0,0]=4 528 B12R1.78 COc1ccc(cc1CO)C=O TS43041 [0,1,1,0,0,0|0,0,0]=2 529 B12R1.78 COc1ccc(cc1OC)C#C TS11536 [0,1,1,0,0,0|1,0,1]=4 530 B12R1.78 COc1ccc(cc1OC)C=C TS11888 [0,1,1,0,0,0|1,0,0]=3 531 B12R1.78 COc1ccc(cc1OC)C=O TS60325 [0,1,1,0,0,0|0,0,0]=2 532 B12R1.78 COc1ccc(cc1OC)CBr TS25019 [0,1,1,0,0,0|1,0,1]=4 533 B12R1.78 COc1ccc(cc1OC)CCl TS49007 [0,1,1,0,0,0|1,0,1]=4 534 B12R1.78 COc1ccc(cc1OC)CN TS38506 [0,1,1,0,0,0|1,0,1]=4 535 B12R1.78 COc1ccc(cc1OC)CN TS43248 [0,1,1,0,0,0|1,0,1]=4 536 B12R1.78 COc1ccc(cc1OC)CO TS44868 [0,1,1,0,0,0|0,0,2]=4 537 B12R1.78 COc1ccc(cc1OC)NN TS19879 [0,1,1,0,0,0|2,0,0]=4 538 B12R1.78 COc1ccc(cc1OC)SC TS48595 [0,1,1,0,0,0|2,0,0]=4 539 B12R1.78 COc1ccc(cc1OC)[Mg]Br TS57585 [0,1,1,0,0,0|2,0,0]=4 540 B12R1.78 COc1ccc(cc1OC)[N+]#[C-] TS42575 [0,1,1,0,0,0|2,0,0]=4 541 B12R1.301 COc1c(cc(cc1F)C=O)F TS45418 [0,1,1,0,0,0|1,0,0]=3 542 B12R1.301 Cc1cc(cc(c1OC)C)C=O TS11886 [0,1,1,0,0,0|1,0,0]=3 543 B12R1.450 Cc1cc(c(cc1OC)C)C=O TS11896 [0,1,1,0,0,0|1,0,0]=3 544 B12R1.450 Cc1cc(c(cc1OC)O)OC TS44866 [0,1,1,0,0,0|2,0,0]=4 545 B12R1.452 c1cc(c(cc1C=O)O)[N+](=O)[O-] TS65088 [0,1,1,0,0,0|2,0,0]=4 546 B12R1.653 COc1ccc(c(c1O)Cl)C=O TS15719 [0,1,1,0,0,0|0,0,0]=2 547 B12R1.653 COc1ccc(c(c1O)O)C=O TS44826 [0,1,1,0,0,0|0,0,0]=2 548 B12R1.653 Cc1c(c(ccc1C=O)OC)C TS47165 [0,1,1,0,0,0|1,0,0]=3 549 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O TS42285 [0,1,1,0,0,0|2,0,0]=4 550 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O TS08973 [0,1,1,0,0,0|2,0,0]=4 551 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [0,1,1,0,0,0|1,0,0]=3 552 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [0,1,1,0,0,0|1,0,0]=3 553 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [0,1,1,0,0,0|0,0,0]=2 554 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [0,1,1,0,0,0|0,0,2]=4 555 B12R1.56 CCc1cc(ccc1F)C(=O)O TS44846 [0,1,1,0,0,0|2,0,0]=4 556 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [0,1,1,0,0,0|1,0,0]=3 557 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] TS55131 [0,1,1,0,0,0|2,0,0]=4 558 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [0,1,1,0,0,0|1,0,0]=3 559 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] TS00919 [0,1,1,0,0,0|2,0,0]=4 560 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [0,1,1,0,0,0|1,0,0]=3 561 B12R1.56 COc1cc(ccc1F)N(=O)=O TS01012 [0,1,1,0,0,0|2,0,0]=4 562 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] TS09307 [0,1,1,0,0,0|2,0,0]=4 563 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [0,1,1,0,0,0|1,0,0]=3 564 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] TS09310 [0,1,1,0,0,0|2,0,0]=4 565 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [0,1,1,0,0,0|0,0,0]=2 566 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [0,1,1,0,0,0|0,0,0]=2 567 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS01094 [0,1,1,0,0,0|1,0,0]=3 568 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS17237 [0,1,1,0,0,0|1,0,0]=3 569 B12R1.56 COc1cc(cnc1O)[N+](=O)[O-] TS65096 [0,1,1,0,0,0|2,0,0]=4 570 B12R1.56 Cc1ccc(cc1OC)C(=O)N TS12003 [0,1,1,0,0,0|1,0,0]=3 571 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [0,1,1,0,0,0|1,0,0]=3 572 B12R1.56 Cc1ccc(cc1OC)[N+](=O)[O-] TS39679 [0,1,1,0,0,0|2,0,0]=4 573 B12R1.56 c1cc(c(cc1C(=O)O)C=O)O TS12140 [0,1,1,0,0,0|2,0,0]=4 574 B12R1.300 COc1cc(cc(c1O)Br)C=O TS60335 [0,1,1,0,0,0|0,0,0]=2 575 B12R1.300 COc1cc(cc(c1O)Cl)C=O TS15712 [0,1,1,0,0,0|0,0,0]=2 576 B12R1.300 COc1cc(cc(c1O)Cl)CO TS16088 [0,1,1,0,0,0|0,0,2]=4 577 B12R1.300 COc1cc(cc(c1O)F)C=O TS85082 [0,1,1,0,0,0|0,0,0]=2 578 B12R1.300 COc1cc(cc(c1O)I)C=O TS33986 [0,1,1,0,0,0|0,0,0]=2 579 B12R1.300 COc1cc(cc(c1O)I)CO TS54296 [0,1,1,0,0,0|0,0,2]=4 580 B12R1.300 COc1cc(cc(c1O)O)C=O TS44818 [0,1,1,0,0,0|0,0,0]=2 581 B12R1.300 Cc1cc(cc(c1O)OC)C#N TS85848 [0,1,1,0,0,0|1,0,1]=4 582 B12R1.449 COc1cc(c(cc1Cl)F)C=O TS16080 [0,1,1,0,0,0|1,0,0]=3 583 B12R1.449 COc1cc(c(cc1O)Br)C=O TS08323 [0,1,1,0,0,0|0,0,0]=2 584 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O TS71559 [0,1,1,0,0,0|2,0,0]=4 585 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])O TS03120 [0,1,1,0,0,0|2,0,0]=4 586 B12R2.100 c1c(c(cc2c1OCO2)N)N TS23944 [1,1,0,0,0,0|1,0,0]=3 587 B12R2.100 c1c(c(cc2c1OCO2)N)N TS41104 [1,1,0,0,0,0|1,0,0]=3 588 B12R2.100 c1c(c(cc2c1OCO2)O)O TS10389 [1,1,0,0,0,0|0,0,1]=3 589 B12R2.100 c1c2c(cc(c1Cl)Cl)OCO2 TS17218 [1,1,0,0,0,0|1,0,0]=3 590 B12R2.100 c1c2c(cc(c1I)I)OCO2 TS66957 [1,1,0,0,0,0|1,0,0]=3 591 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 TS55555 [1,1,0,0,0,0|2,0,0]=4 592 B12R2.132 c1cc2c(cc1Br)C(CO2)N TS94367 [1,1,0,0,0,0|2,0,0]=4 593 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 TS71510 [1,1,0,0,0,0|2,0,0]=4 594 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS12727 [1,1,0,0,0,0|2,0,0]=4 595 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS20097 [1,1,0,0,0,0|2,0,0]=4 596 B12R2.132 c1cc2c(cc1F)C(=O)CO2 TS32992 [1,1,0,0,0,0|2,0,0]=4 597 B12R2.132 c1cc2c(cc1I)C(=O)CO2 TS71576 [1,1,0,0,0,0|2,0,0]=4 598 B12R2.246 c1c(cc(c2c1CCO2)Br)Br TS31289 [1,1,0,0,0,0|2,0,0]=4 599 B12R2.246 c1c(cc(c2c1CCO2)F)F TS10658 [1,1,0,0,0,0|2,0,0]=4 600 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [1,1,0,0,0,0|2,0,0]=4 601 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [1,1,0,0,0,0|2,0,0]=4 602 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [1,1,0,0,0,0|2,0,0]=4 603 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [1,1,0,0,0,0|1,0,1]=4 604 B12R2.1384 c1cc2c(cc1C(=O)O)C=C2 TS07171 [0,1,0,0,1,0|1,0,1]=4 605 B14R2.112 c1cc2c(cc1N=C=O)OCCO2 TS13992 [0,1,0,0,0,1|0,0,1]=3 606 B14R2.112 c1cc2c(cc1N=C=S)OCCO2 TS51648 [0,1,0,0,0,1|0,1,1]=4 607 B14R2.134 c1cc2c(cc1C=O)NC(=O)CO2 TS70696 [0,1,0,0,0,1|1,0,0]=3 608 B14R2.781 B(c1ccc2c(c1)OCCO2)(O)O TS65734 [0,1,0,0,0,1|1,0,1]=4 609 B14R2.781 CC(=O)c1ccc2c(c1)CCCC2 TS13537 [0,1,0,0,0,1|2,0,0]=4 610 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 TS39978 [0,1,0,0,0,1|0,0,0]=2 611 B14R2.781 c1cc2c(cc1C(=O)Cl)OCCO2 TS18728 [0,1,0,0,0,1|0,0,0]=2 612 B14R2.781 c1cc2c(cc1C(=O)O)CCCC2 TS46109 [0,1,0,0,0,1|2,0,0]=4 613 B14R2.781 c1cc2c(cc1C(=O)O)CCCN2 TS00341 [0,1,0,0,0,1|2,0,0]=4 614 B14R2.781 c1cc2c(cc1C(=O)O)CCNC2 TS46281 [0,1,0,0,0,1|2,0,0]=4 615 B14R2.781 c1cc2c(cc1C(=O)O)CNCC2 TS14023 [0,1,0,0,0,1|2,0,0]=4 616 B14R2.781 c1cc2c(cc1C(=O)O)OCCN2 TS88629 [0,1,0,0,0,1|1,0,0]=3 617 B14R2.781 c1cc2c(cc1C(=O)O)OCCO2 TS32757 [0,1,0,0,0,1|0,0,0]=2 618 B14R2.781 c1cc2c(cc1C(=S)N)OCCO2 TS52045 [0,1,0,0,0,1|0,1,0]=3 619 B14R2.781 c1cc2c(cc1N(=O)=O)OCCO2 TS14735 [0,1,0,0,0,1|1,0,0]=3 620 B14R2.781 c1cc2c(cc1[N+](=O)[O-])NCCO2 TS14552 [0,1,0,0,0,1|2,0,0]=4 621 B14R2.1801 CN1CCCc2c1ccc(c2)C=O TS45973 [0,1,0,0,0,1|2,0,0]=4 622 B14R2.1801 CN1CCOc2c1ccc(c2)C=O TS14031 [0,1,0,0,0,1|1,0,0]=3 623 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)O TS46245 [0,2,0,0,0,0|1,0,1]=4 624 B14R2.601 c1cc2c(cc1C(=O)O)nc(o2)S TS18045 [0,2,0,0,0,0|1,0,1]=4 625 B14R2.624 CC(=O)c1cc2c(cc1N)OCO2 TS21921 [0,2,0,0,0,0|0,0,0]=2 626 B14R2.624 CC(=O)c1cc2c(cc1N)OCO2 TS59684 [0,2,0,0,0,0|0,0,0]=2 627 B14R2.624 c1c(c(cc2c1OCO2)Br)[N+](=O)[O-] TS62235 [0,2,0,0,0,0|1,0,0]=3 628 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 TS47514 [0,2,0,0,0,0|0,0,0]=2 629 B14R2.966 COC(=O)c1ccc2c(c1)CCN2 TS46277 [0,2,0,0,0,0|2,0,0]=4 630 B14R2.966 c1cc2c(cc1C(=O)CBr)CCO2 TS26643 [0,2,0,0,0,0|1,0,0]=3 631 B14R2.966 c1cc2c(cc1C(=O)CBr)OCO2 TS57803 [0,2,0,0,0,0|0,0,0]=2 632 B14R2.966 c1cc2c(cc1C(=O)CCl)CCO2 TS53770 [0,2,0,0,0,0|1,0,0]=3 633 B14R2.966 c1cc2c(cc1C(=O)NN)OCO2 TS47872 [0,2,0,0,0,0|0,0,0]=2 634 B14R2.966 c1cc2c(cc1C(CN)O)OCO2 TS48084 [0,2,0,0,0,0|0,0,2]=4 635 B14R2.3125 c1cc2c(cc1S(=O)(=O)Cl)CCO2 TS60232 [0,2,0,0,0,0|2,0,0]=4 636 B14R2.3125 c1cc2c(cc1S(=O)(=O)Cl)OCO2 TS02102 [0,2,0,0,0,0|1,0,0]=3 637 B14R2.3125 c1cc2c(cc1S(=O)(=O)N)CCO2 TS37736 [0,2,0,0,0,0|2,0,0]=4 638 B14R2.5719 c1cc2c(cc1C(=O)O)CCC2=O TS46064 [0,2,0,0,0,0|2,0,0]=4 639 B14R2.8824 c1c(cc(c2c1OCO2)Br)C(=O)O TS62101 [0,2,0,0,0,0|0,0,0]=2 640 B14R2.8824 c1c(cc2c(c1O)OCO2)C(=O)O TS48194 [0,2,0,0,0,0|0,0,0]=2 641 B14R2.24358 c1cc2c(cc1C(=O)O)C(=O)CC2 TS39609 [0,2,0,0,0,0|2,0,0]=4 642 B14R2.24358 c1cc2c(cc1[N+](=O)[O-])C(=O)CO2 TS14350 [0,2,0,0,0,0|2,0,0]=4 643 B14R2.991 c1cc2c(cc1NCCO)OCO2 TS49330 [0,2,0,0,0,0|0,0,2]=4 644 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 TS47502 [0,2,0,0,0,0|0,0,0]=2 645 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 TS13718 [0,2,0,0,0,0|2,0,0]=4 646 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 TS47694 [0,2,0,0,0,0|0,0,0]=2 647 B14R2.1008 CC(Cc1ccc2c(c1)OCO2)N TS14432 [0,2,0,0,0,0|1,0,1]=4 648 B14R2.1008 c1cc2c(cc1CC(=O)Cl)OCO2 TS18731 [0,2,0,0,0,0|0,0,0]=2 649 B14R2.1008 c1cc2c(cc1CC(=O)O)CCO2 TS32884 [0,2,0,0,0,0|1,0,0]=3 650 B14R2.1008 c1cc2c(cc1CC(=O)O)OCO2 TS65736 [0,2,0,0,0,0|0,0,0]=2 651 B14R2.82 COc1cc2c(cc1C=O)CCC2 TS13846 [0,2,0,0,0,0|2,0,0]=4 652 B14R2.82 COc1cc2c(cc1OC)OCO2 TS14927 [0,2,0,0,0,0|2,0,0]=4 653 B14R2.1101 COc1cc(cc2c1OCO2)C=O TS14544 [0,2,0,0,0,0|0,0,0]=2 654 B14R2.1101 COc1cc(cc2c1OCO2)CO TS14932 [0,2,0,0,0,0|0,0,2]=4 655 B14R2.3303 CC1(Cc2cc(ccc2O1)C=O)C TS13850 [0,2,0,0,0,0|1,0,0]=3 656 B14R2.3303 c1cc2c(cc1C#N)OC(O2)(F)F TS48389 [0,2,0,0,0,0|1,0,1]=4 657 B14R2.3303 c1cc2c(cc1C=O)OC(O2)(F)F TS15557 [0,2,0,0,0,0|0,0,0]=2 658 B14R2.3303 c1cc2c(cc1CO)OC(O2)(F)F TS87331 [0,2,0,0,0,0|0,0,2]=4 659 B12R2.315 C=Cc1cccc2c1CCO2 TS32981 [0,0,1,1,0,0|2,0,0]=4 660 B12R2.315 c1cc(c2c(c1)OCC2)C=O TS07415 [0,0,1,1,0,0|1,0,0]=3 661 B12R2.315 c1cc(c2c(c1)OCO2)C=O TS47126 [0,0,1,1,0,0|0,0,0]=2 662 B12R2.315 c1cc(c2c(c1)OCO2)CO TS10136 [0,0,1,1,0,0|0,0,2]=4 663 B12R2.315 c1cc2c(c(c1)C=O)NCC2 TS40525 [0,0,1,1,0,0|2,0,0]=4 664 B12R2.315 c1cc2c(c(c1)C=O)OCC2 TS07412 [0,0,1,1,0,0|1,0,0]=3 665 B14R3.3022 c1c[nH]c2c1cc3c(c2)OCO3 TS42286 [0,1,0,1,0,0|1,0,0]=3 666 B12R2.24 Cc1ccc2c(c1)NCCO2 TS48809 [1,0,0,0,0,1|1,0,1]=4 667 B12R2.24 c1cc2c(cc1Br)CCCO2 TS21450 [1,0,0,0,0,1|2,0,0]=4 668 B12R2.24 c1cc2c(cc1Br)NCCO2 TS28106 [1,0,0,0,0,1|2,0,0]=4 669 B12R2.24 c1cc2c(cc1Br)OCCO2 TS55535 [1,0,0,0,0,1|1,0,0]=3 670 B12R2.24 c1cc2c(cc1Br)OCOC2 TS44635 [1,0,0,0,0,1|1,0,0]=3 671 B12R2.24 c1cc2c(cc1Cl)NCCO2 TS20095 [1,0,0,0,0,1|2,0,0]=4 672 B12R2.24 c1cc2c(cc1F)NCCO2 TS46567 [1,0,0,0,0,1|2,0,0]=4 673 B12R2.24 c1cc2c(cc1I)OCCO2 TS29737 [1,0,0,0,0,1|1,0,0]=3 674 B12R2.24 c1cc2c(cc1N)OCCO2 TS39221 [1,0,0,0,0,1|1,0,0]=3 675 B12R2.24 c1cc2c(cc1O)OCCO2 TS40005 [1,0,0,0,0,1|0,0,1]=3 676 B14R2.2400 c1cc2c(cc1C=O)OCCCO2 TS14185 [0,0,0,0,0,2|0,0,0]=2 677 B14R2.2400 c1cc2c(cc1CCl)OCCCO2 TS59740 [0,0,0,0,0,2|1,0,1]=4 678 B14R2.2400 c1cc2c(cc1CN)OCCCO2 TS14430 [0,0,0,0,0,2|1,0,1]=4 679 B14R2.2400 c1cc2c(cc1CO)OCCCO2 TS14594 [0,0,0,0,0,2|0,0,2]=4