0 B11R1.83 C=Cc1ccc(cc1)N=C=S TS42333 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.83 CCCc1ccc(cc1)C#C TS08750 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.83 CCCc1ccc(cc1)CN TS07601 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.83 CCCc1ccc(cc1)NN TS15743 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.83 CCCc1ccc(cc1)OC TS40915 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.83 CCNc1ccc(cc1)C#N TS40442 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.83 CCOc1ccc(cc1)C#C TS59514 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.83 CCOc1ccc(cc1)C#N TS07333 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.83 CCOc1ccc(cc1)C=C TS07479 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.83 CCOc1ccc(cc1)C=O TS71098 [0,0,0,0,0,0|0,0,0]=0 12 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.83 CCOc1ccc(cc1)CO TS10188 [0,0,0,0,0,0|0,0,2]=2 14 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.83 CCSc1ccc(cc1)C=O TS12276 [0,0,0,0,0,0|0,1,0]=1 16 B11R1.83 CCc1ccc(cc1)CNC TS40780 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.83 CCc1ccc(cc1)OCC TS40919 [0,0,0,0,0,0|1,0,1]=2 18 B11R1.83 CNCc1ccc(cc1)C#N TS40437 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.83 CNCc1ccc(cc1)OC TS03152 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.83 CNCc1ccc(cc1)OC TS03153 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.83 COc1ccc(cc1)CCCl TS12933 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.83 COc1ccc(cc1)CCO TS41151 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.83 c1cc(ccc1CCN)CO TS16390 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,0,0,0,0,0|0,0,1]=2 35 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,0,0,0,0,0|0,0,1]=2 41 B10R1.1 CCOc1ccc(cn1)Br TS71417 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.1 CCOc1ccc(cn1)N TS37183 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.1 CCOc1ccc(nc1)Br TS19313 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.1 CCOc1cnc(cn1)C TS06278 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.1 CCOc1cnc(nc1)Br TS90943 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.1 CCOc1cnc(nc1)Cl TS87445 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.1 CCOc1ncc(cn1)Br TS38377 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.1 CCOc1ncc(cn1)F TS37552 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,0,0,0,0,0|1,1,0]=3 52 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,0,0,0,0,0|1,1,0]=3 53 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.1 COCc1ccc(cc1)F TS37375 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,0,0,0,0,0|1,1,1]=4 61 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [1,0,0,0,0,0|0,0,2]=3 83 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [1,0,0,0,0,0|1,0,2]=4 85 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [1,0,0,0,0,0|0,0,2]=3 86 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.3 CCc1ccc(cc1)C#C TS59670 [1,0,0,0,0,0|1,0,1]=3 89 B10R1.3 CCc1ccc(cc1)C#N TS05665 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,0,0,0,0,0|0,0,0]=1 92 B10R1.3 CCc1ccc(cc1)CC TS05932 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.3 CCc1ccc(cc1)CCl TS07791 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.3 CCc1ccc(cc1)CN TS36956 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,0,0,0,0,0|0,0,2]=3 96 B10R1.3 CCc1ccc(cc1)OC TS06096 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.3 CCc1ccc(nc1)C=C TS65158 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.3 CCc1ncc(cn1)C=O TS55317 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.3 CNc1ccc(cc1)C#N TS07763 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.3 COc1ccc(cc1)C#C TS03157 [1,0,0,0,0,0|1,0,1]=3 102 B10R1.3 COc1ccc(cc1)C#N TS07812 [1,0,0,0,0,0|1,0,1]=3 103 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,0,0,0,0,0|0,0,0]=1 105 B10R1.3 COc1ccc(cc1)CBr TS03143 [1,0,0,0,0,0|1,0,1]=3 106 B10R1.3 COc1ccc(cc1)CCl TS60060 [1,0,0,0,0,0|1,0,1]=3 107 B10R1.3 COc1ccc(cc1)CN TS03142 [1,0,0,0,0,0|1,0,1]=3 108 B10R1.3 COc1ccc(cc1)CS TS03144 [1,0,0,0,0,0|0,1,1]=3 109 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [1,0,0,0,0,0|1,0,1]=3 110 B10R1.3 COc1ccc(cc1)NN TS45874 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.3 COc1ccc(cc1)OC TS07887 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.3 COc1ccc(cc1)SC TS41410 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.3 COc1ccc(cn1)C#C TS88941 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.3 COc1ccc(cn1)C#N TS55433 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.3 COc1ccc(cn1)C=O TS55618 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.3 COc1ccc(cn1)CN TS91541 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.3 COc1ccc(cn1)CO TS87332 [1,0,0,0,0,0|1,0,2]=4 121 B10R1.3 COc1ccc(cn1)NN TS71564 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.3 COc1ccc(nc1)C#N TS91172 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.3 COc1ccc(nc1)C=O TS87371 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.3 COc1ccc(nc1)CCl TS90886 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.3 COc1ccc(nc1)CO TS91157 [1,0,0,0,0,0|1,0,2]=4 126 B10R1.3 COc1ccc(nc1)OC TS94185 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.3 COc1ncc(cn1)C=O TS55436 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.3 CSc1ccc(cc1)C#N TS40765 [1,0,0,0,0,0|1,1,1]=4 129 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,0,0,0,0,0|0,1,0]=2 130 B10R1.3 CSc1ccc(cc1)CCl TS13280 [1,0,0,0,0,0|1,1,1]=4 131 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,0,0,0,0,0|0,1,2]=4 132 B10R1.3 CSc1ccc(cc1)NN TS46693 [1,0,0,0,0,0|2,1,0]=4 133 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [1,0,0,0,0,0|2,1,0]=4 134 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [1,0,0,0,0,0|2,1,0]=4 135 B10R1.3 CSc1ncc(cn1)C=O TS00520 [1,0,0,0,0,0|2,1,0]=4 136 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [1,0,0,0,0,0|1,0,1]=3 137 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [1,0,0,0,0,0|1,0,1]=3 138 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,0,0,0,0,0|1,0,0]=2 140 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.3 c1cc(ccc1CN)C#N TS03059 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.3 c1cc(ccc1CN)C#N TS16889 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,0,0,0,0,0|1,0,2]=4 146 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,0,0,0,0,0|1,0,2]=4 147 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,0,0,0,0,0|1,0,2]=4 149 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,0,0,0,0,0|1,0,2]=4 150 B10R1.3 c1cc(ccc1CS)CS TS12899 [1,0,0,0,0,0|1,1,1]=4 151 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [1,0,0,0,0,0|2,0,1]=4 152 B12R1.4 CC(=O)Nc1ccc(cc1)C=C TS42323 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.4 CC(=O)Nc1ccc(cc1)C=O TS02941 [0,1,0,0,0,0|1,0,1]=3 154 B12R1.4 CC(=O)Oc1ccc(cc1)C=C TS33212 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.4 CC(=O)Oc1ccc(cc1)C=O TS02943 [0,1,0,0,0,0|0,0,1]=2 156 B12R1.4 CC(=O)Oc1ccc(cc1)CCl TS48657 [0,1,0,0,0,0|1,0,2]=4 157 B12R1.4 CC(C)Cc1ccc(cc1)C=O TS09724 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.4 CC(C)Nc1ccc(cc1)OC TS12073 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.4 CC(C)Oc1ccc(cc1)C=O TS09726 [0,1,0,0,0,0|0,0,0]=1 160 B12R1.4 CC(C)Oc1ccc(cc1)NN TS19493 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.4 CC(C)Oc1ccc(cn1)C#N TS11554 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.4 CC(C)Oc1ccc(cn1)C=O TS39351 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.4 CC(C)Oc1ccc(cn1)CO TS43237 [0,1,0,0,0,0|1,0,2]=4 164 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.4 CCc1ccc(cc1)OC(=O)C TS11867 [0,1,0,0,0,0|1,0,2]=4 166 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.4 c1cc(ccc1C#N)OC(F)F TS12639 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.4 c1cc(ccc1C=O)OC(F)F TS03076 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.4 c1cc(ccc1CBr)OC(F)F TS56894 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.4 c1cc(ccc1CN)OC(F)F TS45594 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.4 c1cc(ccc1CO)OC(F)F TS45724 [0,1,0,0,0,0|1,0,2]=4 172 B12R1.5 CCC(=O)c1ccc(cc1)OC TS11868 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.5 CCc1ccc(cc1)C(=O)CC TS42487 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.5 COC(=O)c1ccc(cc1)C=C TS42431 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.5 COC(=O)c1ccc(cc1)C=O TS93418 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.71 C=CCOc1ccc(cc1)C=O TS42436 [0,1,0,0,0,0|0,0,1]=2 177 B12R1.71 CCCCc1ccc(cc1)C#N TS42078 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.71 CCCCc1ccc(cc1)C=O TS11589 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.71 CCCCc1ccc(cc1)CN TS11747 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.71 CCCCc1ccc(cc1)NN TS19127 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.71 CCCCc1ccc(cc1)[Mg]Br TS26095 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.71 CCCOc1ccc(cc1)C#C TS42194 [0,1,0,0,0,0|1,0,1]=3 183 B12R1.71 CCCOc1ccc(cc1)C#N TS11414 [0,1,0,0,0,0|1,0,1]=3 184 B12R1.71 CCCOc1ccc(cc1)C=O TS71267 [0,1,0,0,0,0|0,0,0]=1 185 B12R1.71 CCNCc1ccc(cc1)OC TS12070 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.71 CNCCc1ccc(cc1)OC TS38183 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.71 CNCCc1ccc(cc1)OC TS59871 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.71 COc1ccc(cc1)CCCCl TS48683 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.71 COc1ccc(cc1)CCCN TS12074 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.71 COc1ccc(cc1)CCCO TS43106 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.71 COc1ccc(cc1)OCC#N TS11704 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.71 COc1ccc(cc1)OCC=C TS42730 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.71 COc1ccc(cc1)OCCBr TS25017 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.71 c1cc(ccc1C=O)OCCBr TS52797 [0,1,0,0,0,0|0,0,0]=1 195 B12R1.71 c1cc(ccc1C=O)OCCCl TS15386 [0,1,0,0,0,0|0,0,0]=1 196 B12R1.71 c1cc(ccc1C=O)OCCO TS12190 [0,1,0,0,0,0|0,0,0]=1 197 B12R1.113 B(c1ccc(cc1)CCC)(O)O TS71288 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.113 B(c1ccc(cc1)OCC)(O)O TS71100 [0,1,0,0,0,0|1,0,1]=3 199 B12R1.113 B(c1ccc(cc1)SCC)(O)O TS94891 [0,1,0,0,0,0|1,1,1]=4 200 B12R1.113 B(c1ccc(nc1)OCC)(O)O TS00994 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.113 CC(=O)c1ccc(cc1)CCBr TS39570 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.113 CC(=O)c1ccc(cc1)CCCl TS15067 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.113 CC(=O)c1ccc(cc1)N=C=O TS11375 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.113 CC(=O)c1ccc(cc1)OCF TS44847 [0,1,0,0,0,0|1,0,0]=2 205 B12R1.113 CCCc1ccc(cc1)C(=O)C TS11598 [0,1,0,0,0,0|1,0,0]=2 206 B12R1.113 CCCc1ccc(cc1)C(=O)Cl TS48367 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.113 CCCc1ccc(cc1)C(=O)N TS11728 [0,1,0,0,0,0|1,0,0]=2 208 B12R1.113 CCCc1ccc(cc1)C(=O)O TS11894 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.113 CCNc1ccc(cc1)C(=O)O TS12030 [0,1,0,0,0,0|1,0,0]=2 210 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] TS43074 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.113 CCOc1ccc(cc1)C(=O)C TS42745 [0,1,0,0,0,0|0,0,0]=1 212 B12R1.113 CCOc1ccc(cc1)C(=O)C TS92946 [0,1,0,0,0,0|0,0,0]=1 213 B12R1.113 CCOc1ccc(cc1)C(=O)Cl TS71099 [0,1,0,0,0,0|0,0,0]=1 214 B12R1.113 CCOc1ccc(cc1)C(=O)N TS12024 [0,1,0,0,0,0|0,0,0]=1 215 B12R1.113 CCOc1ccc(cc1)C(=O)O TS12183 [0,1,0,0,0,0|0,0,0]=1 216 B12R1.113 CCOc1ccc(cc1)C(=S)N TS14828 [0,1,0,0,0,0|0,1,0]=2 217 B12R1.113 CCOc1ccc(cc1)[C@@H](C)N TS42940 [0,1,0,0,0,0|1,0,1]=3 218 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] TS43199 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.113 CCOc1ccc(cn1)[N+](=O)[O-] TS12497 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.113 CCSc1ccc(cc1)C(=O)O TS15007 [0,1,0,0,0,0|0,1,0]=2 221 B12R1.113 CNCc1ccc(cc1)N(=O)=O TS38356 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.113 c1cc(ccc1C(=O)Cl)N=C=O TS48144 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.113 c1cc(ccc1C(=O)O)N=C=S TS47710 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.113 c1cc(ccc1C(=O)O)NC#N TS42409 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.113 c1cc(ccc1CC#N)C(=O)O TS03062 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.113 c1cc(ccc1CCBr)C(=O)O TS39728 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.113 c1cc(ccc1CCBr)[N+](=O)[O-] TS59359 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.113 c1cc(ccc1CCCl)C(=O)O TS48660 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.113 c1cc(ccc1CCCl)[N+](=O)[O-] TS15523 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.113 c1cc(ccc1CCN)C(=O)O TS12022 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.113 c1cc(ccc1CCN)C(=O)O TS19273 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS27571 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS43063 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS71258 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] TS12374 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.113 c1cc(ccc1[N+](=O)[O-])OC=O TS12348 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.114 CCOc1ccc(cc1F)C=O TS44854 [0,1,0,0,0,0|0,0,0]=1 238 B12R1.116 CCCc1ccc(cc1)CCC TS42507 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.116 CCOc1ccc(cc1)CC#N TS07790 [0,1,0,0,0,0|1,0,1]=3 240 B12R1.116 CCOc1ccc(cc1)CCN TS12064 [0,1,0,0,0,0|1,0,1]=3 241 B12R1.116 CCOc1ccc(cc1)CCO TS43105 [0,1,0,0,0,0|0,0,2]=3 242 B12R1.116 CCOc1ccc(cc1)CNC TS42956 [0,1,0,0,0,0|1,0,1]=3 243 B12R1.116 CCOc1ccc(cc1)N=C=O TS11707 [0,1,0,0,0,0|0,0,1]=2 244 B12R1.116 CCOc1ccc(cc1)N=C=S TS47773 [0,1,0,0,0,0|0,1,1]=3 245 B12R1.116 CCOc1ccc(cc1)OCC TS12252 [0,1,0,0,0,0|1,0,1]=3 246 B12R1.288 CCOc1ccc(c(c1)O)C=O TS43031 [0,1,0,0,0,0|0,0,0]=1 247 B12R2.9 c1cc(ccc1CBr)C2CC2 TS43953 [0,0,0,1,0,0|2,0,1]=4 248 B12R2.44 C#Cc1ccc2c(c1)OCO2 TS07169 [0,0,0,1,0,0|2,0,1]=4 249 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [0,0,0,1,0,0|3,0,0]=4 250 B12R2.44 COc1ccc2c(c1)CCN2 TS71586 [0,0,0,1,0,0|3,0,0]=4 251 B12R2.44 CSc1ccc2c(c1)CCN2 TS32983 [0,0,0,1,0,0|3,0,0]=4 252 B12R2.44 c1cc(cc2c1cc[nH]2)C=O TS77184 [0,0,0,1,0,0|2,0,1]=4 253 B12R2.44 c1cc2c(cc1C#N)CCN2 TS03279 [0,0,0,1,0,0|2,0,1]=4 254 B12R2.44 c1cc2c(cc1C#N)CCO2 TS07080 [0,0,0,1,0,0|1,0,1]=3 255 B12R2.44 c1cc2c(cc1C#N)OCO2 TS07298 [0,0,0,1,0,0|2,0,1]=4 256 B12R2.44 c1cc2c(cc1C=O)CCC2 TS07219 [0,0,0,1,0,0|1,0,0]=2 257 B12R2.44 c1cc2c(cc1C=O)CCO2 TS00573 [0,0,0,1,0,0|0,0,0]=1 258 B12R2.44 c1cc2c(cc1C=O)OCO2 TS39812 [0,0,0,1,0,0|1,0,0]=2 259 B12R2.44 c1cc2c(cc1C=O)cn[nH]2 TS08693 [0,0,0,1,0,0|2,0,1]=4 260 B12R2.44 c1cc2c(cc1C=O)nc[nH]2 TS77183 [0,0,0,1,0,0|2,0,1]=4 261 B12R2.44 c1cc2c(cc1C=O)nno2 TS40601 [0,0,0,1,0,0|2,0,0]=3 262 B12R2.44 c1cc2c(cc1C=O)nns2 TS42725 [0,0,0,1,0,0|2,1,0]=4 263 B12R2.44 c1cc2c(cc1C=O)nsn2 TS85322 [0,0,0,1,0,0|3,0,0]=4 264 B12R2.44 c1cc2c(cc1CCl)CCO2 TS12611 [0,0,0,1,0,0|1,0,1]=3 265 B12R2.44 c1cc2c(cc1CCl)OCO2 TS12912 [0,0,0,1,0,0|2,0,1]=4 266 B12R2.44 c1cc2c(cc1CN)OCO2 TS41008 [0,0,0,1,0,0|2,0,1]=4 267 B12R2.44 c1cc2c(cc1CO)CCO2 TS09874 [0,0,0,1,0,0|0,0,2]=3 268 B12R2.44 c1cc2c(cc1CO)OCO2 TS10142 [0,0,0,1,0,0|1,0,2]=4 269 B12R2.44 c1cc2c(cc1[Mg]Br)OCO2 TS52204 [0,0,0,1,0,0|3,0,0]=4 270 B12R2.44 c1cc2c(cc[nH]2)cc1C=O TS01495 [0,0,0,1,0,0|1,0,2]=4 271 B12R2.44 c1cc2c(cco2)cc1C=O TS00400 [0,0,0,1,0,0|0,0,2]=3 272 B12R2.44 c1cc2c(ccs2)cc1C=O TS42474 [0,0,0,1,0,0|0,1,2]=4 273 B12R2.44 c1cc2cn[nH]c2cc1C=O TS07200 [0,0,0,1,0,0|3,0,0]=4 274 B10R1.96 COCc1ccc(o1)C=O TS37343 [0,0,0,0,1,0|3,0,0]=4 275 B9R0.5 CCOC(=O)C=CC=CC TS37387 [1,0,1,0,0,0|2,0,0]=4 276 B9R0.48 CCOC(=O)C=CC(=O)O TS06928 [1,0,1,0,0,0|2,0,0]=4 277 B9R0.48 CCOC(=O)C=CC(=O)[O-] TS60902 [1,0,1,0,0,0|2,0,0]=4 278 B9R1.1 C#Cc1ccc(cc1)O TS71112 [2,0,0,0,0,0|1,0,1]=4 279 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.1 CCc1ccc(cc1)Br TS01944 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.1 CCc1ccc(cc1)Cl TS37449 [2,0,0,0,0,0|1,0,0]=3 286 B9R1.1 CCc1ccc(cc1)F TS05030 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.1 CCc1ccc(cc1)I TS25158 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.1 CCc1ccc(cc1)N TS04870 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|0,0,1]=3 290 B9R1.1 CCc1ccc(cc1)S TS06298 [2,0,0,0,0,0|0,1,0]=3 291 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.1 CCc1ccc(nc1)C TS32477 [2,0,0,0,0,0|1,0,1]=4 293 B9R1.1 CCc1ccc(nc1)O TS04959 [2,0,0,0,0,0|1,0,1]=4 294 B9R1.1 CNc1ccc(cc1)Br TS48830 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.1 CNc1ccc(cc1)Cl TS37534 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 CNc1ccc(cc1)F TS36055 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.1 CNc1ccc(cc1)I TS32640 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 CNc1ccc(cc1)N TS04921 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.1 CNc1ccc(cc1)N TS17998 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|1,0,1]=4 301 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|1,0,1]=4 302 B9R1.1 COc1ccc(cc1)Cl TS37682 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.1 COc1ccc(cc1)F TS32969 [2,0,0,0,0,0|1,0,0]=3 304 B9R1.1 COc1ccc(cc1)I TS59516 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.1 COc1ccc(cc1)N TS01634 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.1 COc1ccc(cc1)N TS11193 [2,0,0,0,0,0|1,0,0]=3 307 B9R1.1 COc1ccc(cc1)N TS93025 [2,0,0,0,0,0|1,0,0]=3 308 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|0,0,1]=3 309 B9R1.1 COc1ccc(cc1)S TS06486 [2,0,0,0,0,0|0,1,0]=3 310 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [2,0,0,0,0,0|1,0,0]=3 311 B9R1.1 COc1ccc(cn1)Br TS09790 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.1 COc1ccc(cn1)Cl TS71503 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.1 COc1ccc(cn1)F TS71544 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.1 COc1ccc(cn1)I TS01075 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.1 COc1ccc(cn1)N TS05017 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.1 COc1ccc(cn1)O TS71568 [2,0,0,0,0,0|1,0,1]=4 317 B9R1.1 COc1ccc(nc1)Br TS08354 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.1 COc1ccc(nc1)Cl TS00910 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.1 COc1ccc(nc1)N TS47440 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 COc1ccn(=O)cc1 TS71219 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.1 CSc1ccc(cc1)Br TS09618 [2,0,0,0,0,0|1,1,0]=4 322 B9R1.1 CSc1ccc(cc1)Cl TS42001 [2,0,0,0,0,0|1,1,0]=4 323 B9R1.1 CSc1ccc(cc1)F TS06687 [2,0,0,0,0,0|1,1,0]=4 324 B9R1.1 CSc1ccc(cc1)I TS27986 [2,0,0,0,0,0|1,1,0]=4 325 B9R1.1 CSc1ccc(cc1)N TS06394 [2,0,0,0,0,0|1,1,0]=4 326 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|0,1,1]=4 327 B9R1.1 CSc1ccc(cc1)S TS41710 [2,0,0,0,0,0|0,2,0]=4 328 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [2,0,0,0,0,0|1,1,0]=4 329 B9R1.1 Cc1ccc(cc1)C#C TS32874 [2,0,0,0,0,0|1,0,1]=4 330 B9R1.1 Cc1ccc(cc1)C#N TS04679 [2,0,0,0,0,0|1,0,1]=4 331 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|0,0,0]=2 333 B9R1.1 Cc1ccc(cc1)CBr TS03170 [2,0,0,0,0,0|1,0,1]=4 334 B9R1.1 Cc1ccc(cc1)CCl TS37455 [2,0,0,0,0,0|1,0,1]=4 335 B9R1.1 Cc1ccc(cc1)CN TS32473 [2,0,0,0,0,0|1,0,1]=4 336 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|0,0,2]=4 337 B9R1.1 Cc1ccc(cc1)CS TS06300 [2,0,0,0,0,0|0,1,1]=4 338 B9R1.1 Cc1ccc(cc1)NC TS32470 [2,0,0,0,0,0|1,0,1]=4 339 B9R1.1 Cc1ccc(cc1)NN TS01655 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.1 Cc1ccc(cc1)NN TS23082 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.1 Cc1ccc(cc1)OC TS04894 [2,0,0,0,0,0|0,0,1]=3 342 B9R1.1 Cc1ccc(cc1)SC TS71244 [2,0,0,0,0,0|0,1,1]=4 343 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.1 Cc1ccc(cn1)C=C TS55464 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|1,0,0]=3 347 B9R1.1 Cc1ccc(cn1)OC TS04979 [2,0,0,0,0,0|1,0,1]=4 348 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|1,0,0]=3 349 B9R1.1 Cc1cnc(cn1)C=O TS88939 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.1 Cc1cnc(nc1)C=O TS90871 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.1 Cc1ncc(cn1)C=O TS08763 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.1 c1cc(ccc1C#N)O TS03063 [2,0,0,0,0,0|1,0,1]=4 355 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|1,0,0]=3 356 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|1,0,0]=3 357 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|1,0,0]=3 359 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|1,0,0]=3 360 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|1,0,0]=3 361 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|0,0,0]=2 362 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|0,0,0]=2 363 B9R1.1 c1cc(ccc1CBr)Br TS09598 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.1 c1cc(ccc1CBr)F TS03088 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 c1cc(ccc1CBr)I TS09718 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|1,0,1]=4 368 B9R1.1 c1cc(ccc1CCl)Br TS16774 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.1 c1cc(ccc1CCl)F TS07044 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.1 c1cc(ccc1CN)Br TS09597 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.1 c1cc(ccc1CN)Br TS60052 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.1 c1cc(ccc1CN)Cl TS33154 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.1 c1cc(ccc1CN)Cl TS71062 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.1 c1cc(ccc1CN)F TS03087 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 c1cc(ccc1CN)F TS42359 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.1 c1cc(ccc1CN)I TS07803 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.1 c1cc(ccc1CN)I TS73917 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 c1cc(ccc1CN)N TS32510 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|1,0,1]=4 381 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|1,0,1]=4 382 B9R1.1 c1cc(ccc1CO)Br TS16773 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.1 c1cc(ccc1CO)Cl TS37684 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.1 c1cc(ccc1CO)F TS36109 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.1 c1cc(ccc1CO)I TS02234 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.1 c1cc(ccc1CO)N TS70914 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|0,0,2]=4 388 B9R1.1 c1cc(ccc1CO)S TS37388 [2,0,0,0,0,0|1,1,0]=4 389 B9R1.1 c1cc(ccc1CS)Br TS19522 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 c1cc(ccc1CS)Cl TS42005 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.1 c1cc(ccc1CS)F TS06684 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|1,0,0]=3 394 B9R1.1 c1cc(ncc1Br)C=O TS71427 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 c1cc(ncc1C=O)Br TS16478 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.1 c1cc(ncc1C=O)F TS01040 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.1 c1cc(ncc1C=O)N TS87752 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|1,0,0]=3 400 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.1 c1cc(ncc1F)C=O TS60090 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.1 c1cn(=O)ccc1C=O TS32549 [2,0,0,0,0,0|1,0,1]=4 404 B9R1.1 c1cn(=O)ccc1CO TS59701 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.8 CC#Cc1ccccc1 TS04599 [2,0,0,0,0,0|1,0,1]=4 406 B9R1.8 CC=Cc1ccccc1 TS32346 [2,0,0,0,0,0|1,0,1]=4 407 B9R1.8 CCC[n+]1ccccc1 TS38202 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.8 CCCc1ccccc1 TS04832 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.8 CCCc1ccccn1 TS85359 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.8 CCNc1ccccc1 TS04869 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.8 CCOc1ccccc1 TS04896 [2,0,0,0,0,0|0,0,0]=2 412 B9R1.8 CCOc1ccccn1 TS55309 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.8 CCOc1ccncc1 TS04974 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.8 CCOc1cnccn1 TS05010 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.8 CCSc1ccccc1 TS06299 [2,0,0,0,0,0|0,1,0]=3 416 B9R1.8 CNCc1ccccc1 TS01938 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.8 CNNc1ccccc1 TS85406 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.8 COCc1ccccc1 TS04897 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.8 CSCc1ccccc1 TS06309 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.8 CSSc1ccccc1 TS41708 [2,0,0,0,0,0|1,1,0]=4 421 B9R1.8 c1ccc(cc1)CCBr TS15419 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.8 c1ccc(cc1)CCCl TS37454 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.8 c1ccc(cc1)CCI TS25156 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.8 c1ccc(cc1)CCN TS22602 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.8 c1ccc(cc1)CCN TS65627 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.8 c1ccc(cc1)CCO TS04901 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.8 c1ccc(cc1)CCS TS06307 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.8 c1ccc(cc1)OC#N TS32392 [2,0,0,0,0,0|1,0,1]=4 430 B9R1.8 c1ccc(cc1)OC=O TS32488 [2,0,0,0,0,0|1,0,1]=4 431 B9R1.8 c1ccc(cc1)SCCl TS42004 [2,0,0,0,0,0|1,1,0]=4 432 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [2,0,0,0,0,0|2,0,0]=4 433 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.1 CCCCc1ccc(cc1)C TS07510 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.1 CCCCc1ccc(cc1)I TS29429 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.1 CCCCc1ccc(cc1)N TS07605 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.1 CCCCc1ccc(cc1)O TS40895 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.1 CCCCc1ccc(cc1)S TS43140 [1,1,0,0,0,0|1,1,0]=4 440 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.1 CCCOc1ccc(cc1)N TS10071 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.1 CCCOc1ccc(cc1)O TS71268 [1,1,0,0,0,0|0,0,1]=3 443 B11R1.1 CCNCc1ccc(cc1)Br TS21620 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.1 CCNCc1ccc(cc1)Cl TS45056 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.1 CCNCc1ccc(cc1)F TS10337 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.1 CNCCc1ccc(cc1)Cl TS45060 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.1 CNCCc1ccc(cc1)F TS10330 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.1 CNCCc1ccc(cc1)N TS09940 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.1 CNCCc1ccc(cc1)O TS94477 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.1 COCCc1ccc(cc1)O TS10182 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.1 Cc1ccc(cc1)OCC#N TS07332 [1,1,0,0,0,0|0,0,2]=4 454 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [1,1,0,0,0,0|0,0,2]=4 455 B11R1.1 Cc1ccc(cc1)OCC=O TS40854 [1,1,0,0,0,0|0,0,2]=4 456 B11R1.1 Cc1ccc(cc1)OCCBr TS21830 [1,1,0,0,0,0|0,0,1]=3 457 B11R1.1 Cc1ccc(cc1)OCCO TS10176 [1,1,0,0,0,0|0,0,1]=3 458 B11R1.1 c1cc(ccc1CCCCl)Cl TS46929 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.1 c1cc(ccc1CCCN)O TS10075 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.1 c1cc(ccc1CCCO)Br TS08936 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.1 c1cc(ccc1CCCO)Cl TS12935 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.1 c1cc(ccc1CCCO)O TS02185 [1,1,0,0,0,0|1,0,1]=4 463 B11R1.1 c1cc(ccc1N)NCCO TS62844 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.1 c1cc(ccc1NCCO)O TS10316 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [1,1,0,0,0,0|0,0,1]=3 466 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [1,1,0,0,0,0|0,0,1]=3 467 B11R1.1 c1cc(ccc1OCC#N)Cl TS12430 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.1 c1cc(ccc1OCC#N)F TS40982 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.1 c1cc(ccc1OCCBr)Br TS54291 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.1 c1cc(ccc1OCCBr)Cl TS08142 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.1 c1cc(ccc1OCCBr)F TS03098 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.1 c1cc(ccc1OCCCl)Br TS25793 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.1 c1cc(ccc1OCCCl)Cl TS08937 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.1 c1cc(ccc1OCCF)I TS73463 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.1 c1cc(ccc1OCCO)Br TS49204 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.1 c1cc(ccc1OCCO)Cl TS45565 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.1 c1cc(ccc1SCCN)Br TS30597 [1,1,0,0,0,0|1,1,0]=4 478 B11R1.1 c1cc(ccc1SCCN)Cl TS15882 [1,1,0,0,0,0|1,1,0]=4 479 B11R1.1 c1cc(ccc1SCCO)Cl TS16097 [1,1,0,0,0,0|1,1,0]=4 480 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.20 CC(C)Oc1ccc(cn1)Br TS85279 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.20 CC(C)Oc1ccc(cn1)N TS10201 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [1,1,0,0,0,0|0,0,2]=4 496 B11R1.20 Cc1ccc(cc1)OC(F)F TS10932 [1,1,0,0,0,0|1,0,1]=4 497 B11R1.20 c1cc(ccc1N)OC(F)F TS16906 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.20 c1cc(ccc1O)OC(F)F TS42116 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.20 c1cc(ccc1OC(F)F)Br TS50248 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.20 c1cc(ccc1OC(F)F)I TS30740 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.81 CCCc1ccc(cc1O)O TS41141 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.81 CCNc1ccc(cc1Cl)Cl TS51023 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.81 CCNc1ccc(cc1N)Cl TS12938 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.81 CCOc1c(cc(cn1)Br)I TS77713 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.81 CCOc1c(cc(cn1)Cl)F TS13757 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.81 CCOc1ccc(cc1Cl)Cl TS51227 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.81 CCOc1ccc(cc1Cl)F TS13586 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.81 CCOc1ccc(cc1F)Cl TS13602 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.81 CCOc1ccc(cc1N)N TS62845 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.81 CCOc1ccc(nc1C)N TS03291 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.192 CCNc1ccc(c(c1)Cl)Cl TS51008 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.192 CCOc1cc(c(nc1)Br)N TS49211 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.192 CCOc1ccc(c(c1)Cl)F TS13603 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.192 CCOc1ccc(c(c1)F)Cl TS13591 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.192 CCOc1ccc(c(c1)F)F TS10941 [1,1,0,0,0,0|1,0,0]=3 525 B11R1.192 CCOc1ccc(c(c1)F)N TS51367 [1,1,0,0,0,0|1,0,0]=3 526 B11R1.3 B(c1ccc(cc1)C=O)(O)O TS85495 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.3 B(c1ccc(cc1)CC)(O)O TS71107 [1,1,0,0,0,0|1,0,1]=4 528 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [1,1,0,0,0,0|0,0,2]=4 530 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [1,1,0,0,0,0|0,0,2]=4 531 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [1,1,0,0,0,0|0,0,1]=3 532 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [1,1,0,0,0,0|0,0,2]=4 533 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [1,1,0,0,0,0|0,0,2]=4 535 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [1,1,0,0,0,0|0,0,1]=3 536 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [1,1,0,0,0,0|0,0,0]=2 537 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [1,1,0,0,0,0|0,1,0]=3 538 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.3 CC(C)c1ccc(cc1)C#C TS01856 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.3 CC(C)c1ccc(cc1)C=C TS07267 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.3 CC(C)c1ccc(cc1)C=O TS09730 [1,1,0,0,0,0|0,0,0]=2 543 B11R1.3 CC(C)c1ccc(cc1)CBr TS44303 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.3 CC(C)c1ccc(cc1)CCl TS12630 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [1,1,0,0,0,0|1,0,1]=4 546 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [1,1,0,0,0,0|0,0,2]=4 547 B11R1.3 CC(C)c1ccc(cc1)NN TS09944 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.3 CC(C)c1ccc(cc1)NN TS15742 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [1,1,0,0,0,0|0,0,2]=4 551 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [1,1,0,0,0,0|0,0,0]=2 552 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [1,1,0,0,0,0|0,0,0]=2 553 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [1,1,0,0,0,0|0,0,0]=2 554 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [1,1,0,0,0,0|0,0,0]=2 555 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [1,1,0,0,0,0|0,1,0]=3 556 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [1,1,0,0,0,0|1,0,1]=4 559 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [1,1,0,0,0,0|1,0,1]=4 560 B11R1.3 CCc1ccc(cn1)[N+](=O)[O-] TS88020 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.3 CN(C)c1ccc(cc1)C=O TS70774 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.3 CN(C)c1ccc(cc1)N=O TS09885 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [1,1,0,0,0,0|0,0,0]=2 568 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [1,1,0,0,0,0|0,0,0]=2 569 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [1,1,0,0,0,0|0,0,0]=2 570 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [1,1,0,0,0,0|0,0,0]=2 571 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [1,1,0,0,0,0|0,1,0]=3 572 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.3 COc1ccc(cn1)C(=S)N TS44893 [1,1,0,0,0,0|1,1,0]=4 575 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] TS01097 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [1,1,0,0,0,0|0,1,0]=3 579 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [1,1,0,0,0,0|1,1,0]=4 580 B11R1.3 C[C@@H](c1ccc(cc1)C#N)N TS08105 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [1,1,0,0,0,0|1,0,1]=4 582 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.3 C[C@H](c1ccc(cc1)C#N)N TS08058 [1,1,0,0,0,0|1,0,1]=4 584 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [1,1,0,0,0,0|1,0,1]=4 586 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [1,1,0,0,0,0|1,0,1]=4 587 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [1,1,0,0,0,0|1,0,1]=4 588 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.3 c1cc(ccc1C=O)C(=N)N TS15395 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] TS09745 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] TS44773 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] TS39596 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.3 c1cc(ccc1CI)N(=O)=O TS29871 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] TS33122 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.279 CNc1ccc(cc1N)OC TS10200 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.279 COc1ccc(c(c1)Cl)C#N TS09276 [1,1,0,0,0,0|1,0,1]=4 613 B11R1.279 COc1ccc(c(c1)Cl)CBr TS16533 [1,1,0,0,0,0|1,0,1]=4 614 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.279 COc1ccc(c(c1)F)C#N TS55335 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [1,1,0,0,0,0|0,0,0]=2 617 B11R1.279 COc1ccc(c(c1)F)CCl TS13601 [1,1,0,0,0,0|1,0,1]=4 618 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [1,1,0,0,0,0|0,0,2]=4 619 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.279 COc1ccc(c(c1)N)C#N TS47403 [1,1,0,0,0,0|1,0,1]=4 622 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [1,1,0,0,0,0|0,0,0]=2 624 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [1,1,0,0,0,0|0,0,2]=4 625 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.279 COc1ccc(cc1Br)C#N TS09329 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [1,1,0,0,0,0|0,0,0]=2 629 B11R1.279 COc1ccc(cc1Br)CN TS21977 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.279 COc1ccc(cc1Br)CO TS59850 [1,1,0,0,0,0|0,0,2]=4 631 B11R1.279 COc1ccc(cc1Cl)C#N TS32933 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [1,1,0,0,0,0|0,0,0]=2 633 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [1,1,0,0,0,0|1,0,1]=4 634 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [1,1,0,0,0,0|1,0,1]=4 635 B11R1.279 COc1ccc(cc1F)C#N TS40985 [1,1,0,0,0,0|1,0,1]=4 636 B11R1.279 COc1ccc(cc1F)CBr TS65514 [1,1,0,0,0,0|1,0,1]=4 637 B11R1.279 COc1ccc(cc1F)CN TS41508 [1,1,0,0,0,0|1,0,1]=4 638 B11R1.279 COc1ccc(cc1F)CO TS41603 [1,1,0,0,0,0|0,0,2]=4 639 B11R1.279 COc1ccc(cc1F)[Mg]Br TS52886 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.279 COc1ccc(cc1I)C=O TS08986 [1,1,0,0,0,0|0,0,0]=2 641 B11R1.279 COc1ccc(cc1O)C#N TS70607 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.279 COc1ccc(cc1O)C=O TS70606 [1,1,0,0,0,0|0,0,0]=2 643 B11R1.279 COc1ccc(cc1O)CN TS16250 [1,1,0,0,0,0|1,0,1]=4 644 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|0,0,2]=4 645 B11R1.279 Cc1cc(ccc1C#C)OC TS07228 [1,1,0,0,0,0|1,0,1]=4 646 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [1,1,0,0,0,0|0,0,0]=2 647 B11R1.279 Cc1cc(ccc1NN)OC TS16092 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [1,1,0,0,0,0|0,0,0]=2 649 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [1,1,0,0,0,0|0,0,2]=4 651 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.279 c1cc(c(cc1C#N)F)C=O TS71087 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.279 c1cc(c(cc1C=O)F)C#N TS39660 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [1,1,0,0,0,0|1,0,1]=4 657 B11R1.124 CCOc1ccc(o1)C(=O)O TS10661 [0,1,0,0,1,0|1,0,0]=3 658 B13R1.4 CC(C)(C)Oc1ccc(cc1)C=C TS13900 [0,2,0,0,0,0|1,0,0]=3 659 B13R1.4 CC(C)(C)Oc1ccc(cc1)C=O TS14218 [0,2,0,0,0,0|0,0,0]=2 660 B13R1.4 CC(C)(C)Oc1ccc(cc1)CN TS14458 [0,2,0,0,0,0|1,0,1]=4 661 B13R1.4 CC(C)(C)Oc1ccc(cc1)CO TS16753 [0,2,0,0,0,0|0,0,2]=4 662 B13R1.4 CC(C)(C)Sc1ccc(cc1)C=O TS17935 [0,2,0,0,0,0|0,1,0]=3 663 B13R1.4 C[Si](C)(C)Oc1ccc(cc1)C=O TS51903 [0,2,0,0,0,0|0,1,0]=3 664 B13R1.4 c1cc(ccc1C=O)OC(F)(F)F TS01658 [0,2,0,0,0,0|1,0,0]=3 665 B13R1.4 c1cc(ccc1C=O)SC(F)(F)F TS38956 [0,2,0,0,0,0|1,1,0]=4 666 B13R1.5 CCC(=O)Oc1ccc(cc1)C=O TS47509 [0,2,0,0,0,0|0,0,0]=2 667 B13R1.5 CCC(=O)Oc1ccc(cc1)OC TS47912 [0,2,0,0,0,0|2,0,0]=4 668 B13R1.142 CCCc1ccc(cc1)CC(=O)O TS47571 [0,2,0,0,0,0|1,0,0]=3 669 B13R1.142 CCCc1ccc(cc1)NC(=O)C TS14071 [0,2,0,0,0,0|1,0,0]=3 670 B13R1.142 CCCc1ccc(cc1)NC(=S)N TS17940 [0,2,0,0,0,0|1,1,0]=4 671 B13R1.142 CCOc1ccc(cc1)CC(=O)O TS14599 [0,2,0,0,0,0|0,0,0]=2 672 B13R1.142 CCOc1ccc(cc1)NC(=O)C TS14397 [0,2,0,0,0,0|0,0,0]=2 673 B13R1.142 CCOc1ccc(cc1)NC(=O)N TS47930 [0,2,0,0,0,0|0,0,0]=2 674 B13R1.142 CCOc1ccc(cc1)NC(=S)N TS46716 [0,2,0,0,0,0|0,1,0]=3 675 B13R1.142 c1cc(ccc1CCN)CC(=O)O TS47720 [0,2,0,0,0,0|2,0,0]=4 676 B13R1.585 B(c1ccc(cc1)OC(C)C)(O)O TS09728 [0,2,0,0,0,0|1,0,1]=4 677 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)O TS47507 [0,2,0,0,0,0|1,0,1]=4 678 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)Cl TS53916 [0,2,0,0,0,0|1,0,1]=4 679 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)O TS14377 [0,2,0,0,0,0|1,0,1]=4 680 B13R1.585 CC(=O)Oc1ccc(cc1)C(=O)O TS47850 [0,2,0,0,0,0|0,0,1]=3 681 B13R1.585 CC(=O)Oc1ccc(cc1)[N+](=O)[O-] TS14749 [0,2,0,0,0,0|1,0,1]=4 682 B13R1.585 CC(=O)c1ccc(cc1)NC(=O)C TS14017 [0,2,0,0,0,0|1,0,1]=4 683 B13R1.585 CC(=O)c1ccc(cc1)OC(=O)C TS14186 [0,2,0,0,0,0|0,0,1]=3 684 B13R1.585 CC(=O)c1ccc(cc1)OC(F)F TS16905 [0,2,0,0,0,0|1,0,0]=3 685 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)C TS46162 [0,2,0,0,0,0|1,0,0]=3 686 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)O TS01855 [0,2,0,0,0,0|1,0,0]=3 687 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)O TS09727 [0,2,0,0,0,0|0,0,0]=2 688 B13R1.585 CC(C)Oc1ccc(cc1)[N+](=O)[O-] TS48085 [0,2,0,0,0,0|1,0,0]=3 689 B13R1.585 CC(C)Oc1ccc(cn1)C(=O)O TS14778 [0,2,0,0,0,0|1,0,0]=3 690 B13R1.585 CC(C)Oc1ccc(cn1)[N+](=O)[O-] TS48240 [0,2,0,0,0,0|2,0,0]=4 691 B13R1.585 c1cc(ccc1C(=O)Cl)OC(F)F TS22784 [0,2,0,0,0,0|1,0,0]=3 692 B13R1.585 c1cc(ccc1C(=O)O)OC(F)F TS16907 [0,2,0,0,0,0|1,0,0]=3 693 B13R1.585 c1cc(ccc1N(=O)=O)OC(F)F TS16120 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.653 c1cc(c(cc1C=O)O)OC(F)F TS03075 [0,2,0,0,0,0|1,0,0]=3 695 B13R1.39 CCN(CC)c1ccc(cc1)C=O TS14059 [0,2,0,0,0,0|1,0,0]=3 696 B13R1.39 CCN(CC)c1ccc(cn1)C=O TS47582 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.139 CCCc1ccc(cc1)C(=NO)C TS46309 [0,2,0,0,0,0|1,0,1]=4 698 B13R1.139 CCOc1ccc(cc1)C(=O)C#N TS45946 [0,2,0,0,0,0|0,0,0]=2 699 B13R1.139 CCOc1ccc(cc1)C(=O)C=O TS47524 [0,2,0,0,0,0|0,0,0]=2 700 B13R1.139 CCOc1ccc(cc1)C(=O)NN TS16667 [0,2,0,0,0,0|0,0,0]=2 701 B13R1.139 CCOc1ccc(cc1)C(=O)OC TS47891 [0,2,0,0,0,0|0,0,0]=2 702 B13R1.139 COC(=O)c1ccc(cc1)CCN TS14403 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.139 COC(=O)c1ccc(cc1)CCN TS44747 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.187 CCC(C)(C)c1ccc(cc1)C=O TS46157 [0,2,0,0,0,0|1,0,0]=3 705 B13R1.452 CCOC(=O)c1ccc(cc1)C#N TS45940 [0,2,0,0,0,0|1,0,1]=4 706 B13R1.452 CCOC(=O)c1ccc(cc1)C=C TS13858 [0,2,0,0,0,0|1,0,0]=3 707 B13R1.452 CCOC(=O)c1ccc(cc1)CBr TS57821 [0,2,0,0,0,0|1,0,1]=4 708 B13R1.452 CCOC(=O)c1ccc(cc1)CCl TS54124 [0,2,0,0,0,0|1,0,1]=4 709 B13R1.452 CCOC(=O)c1ccc(cc1)CN TS47748 [0,2,0,0,0,0|1,0,1]=4 710 B13R1.452 CCOC(=O)c1ccc(cc1)OC TS47900 [0,2,0,0,0,0|2,0,0]=4 711 B13R1.452 CCc1ccc(cc1)C(=O)OCC TS47569 [0,2,0,0,0,0|1,0,1]=4 712 B13R1.452 CN(CCCl)c1ccc(cc1)C=O TS18523 [0,2,0,0,0,0|1,0,0]=3 713 B13R1.452 CN(CCO)c1ccc(cc1)C=O TS47738 [0,2,0,0,0,0|1,0,0]=3 714 B13R1.537 CC(=O)c1ccc(cc1)C(=O)OC TS08589 [0,2,0,0,0,0|2,0,0]=4 715 B13R1.537 CCC(=O)c1ccc(cc1)[N+](=O)[O-] TS14365 [0,2,0,0,0,0|2,0,0]=4 716 B13R1.537 CCC(C)c1ccc(cc1)[N+](=O)[O-] TS14393 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.537 COC(=O)c1ccc(cc1)C(=O)Cl TS56229 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[O-] TS22400 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.537 c1cc(ccc1C(=O)CBr)C(=O)O TS70726 [0,2,0,0,0,0|2,0,0]=4 720 B13R1.3 CC(=O)COc1ccc(cc1)OC TS14584 [0,2,0,0,0,0|2,0,0]=4 721 B13R1.3 CC(=O)OCc1ccc(cc1)C=C TS13864 [0,2,0,0,0,0|1,0,1]=4 722 B13R1.3 CC(C)COc1ccc(cc1)C=O TS02235 [0,2,0,0,0,0|0,0,0]=2 723 B13R1.3 CC(COc1ccc(cc1)OC)O TS14974 [0,2,0,0,0,0|2,0,0]=4 724 B13R1.3 c1cc(ccc1C=O)OCC(=O)O TS14543 [0,2,0,0,0,0|0,0,1]=3 725 B13R1.3 c1cc(ccc1CCC(=O)O)C=O TS65686 [0,2,0,0,0,0|1,0,1]=4 726 B13R1.74 B(c1ccc(cc1)OCCC)(O)O TS71287 [0,2,0,0,0,0|1,0,1]=4 727 B13R1.74 CC(=O)c1ccc(cc1)OCC#C TS13494 [0,2,0,0,0,0|0,0,1]=3 728 B13R1.74 CCCCc1ccc(cc1)C(=N)N TS13911 [0,2,0,0,0,0|2,0,0]=4 729 B13R1.74 CCCCc1ccc(cc1)C(=N)N TS44276 [0,2,0,0,0,0|2,0,0]=4 730 B13R1.74 CCCCc1ccc(cc1)C(=O)C TS13903 [0,2,0,0,0,0|1,0,0]=3 731 B13R1.74 CCCCc1ccc(cc1)C(=O)Cl TS18382 [0,2,0,0,0,0|1,0,0]=3 732 B13R1.74 CCCCc1ccc(cc1)C(=O)N TS46317 [0,2,0,0,0,0|1,0,0]=3 733 B13R1.74 CCCCc1ccc(cc1)C(=O)O TS14239 [0,2,0,0,0,0|1,0,0]=3 734 B13R1.74 CCCCc1ccc(nc1)C(=O)O TS47741 [0,2,0,0,0,0|2,0,0]=4 735 B13R1.74 CCCOc1ccc(cc1)C(=O)C TS14225 [0,2,0,0,0,0|0,0,0]=2 736 B13R1.74 CCCOc1ccc(cc1)C(=O)Cl TS54125 [0,2,0,0,0,0|0,0,0]=2 737 B13R1.74 CCCOc1ccc(cc1)C(=O)O TS47896 [0,2,0,0,0,0|0,0,0]=2 738 B13R1.74 CCCOc1ccc(cc1)N(=O)=O TS14775 [0,2,0,0,0,0|1,0,0]=3 739 B13R1.74 CCOCc1ccc(cc1)C(=O)O TS47892 [0,2,0,0,0,0|0,0,0]=2 740 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] TS49185 [0,2,0,0,0,0|2,0,0]=4 741 B13R1.74 c1cc(ccc1NCCN)N(=O)=O TS14782 [0,2,0,0,0,0|2,0,0]=4 742 B13R1.74 c1cc(ccc1[N+](=O)[O-])OCC#N TS47479 [0,2,0,0,0,0|1,0,1]=4 743 B13R1.74 c1cc(ccc1[N+](=O)[O-])OCCBr TS62243 [0,2,0,0,0,0|1,0,0]=3 744 B13R1.74 c1cc(ccc1[N+](=O)[O-])OCCCl TS55276 [0,2,0,0,0,0|1,0,0]=3 745 B13R1.74 c1cc(ccc1[N+](=O)[O-])OCCO TS15110 [0,2,0,0,0,0|1,0,0]=3 746 B13R1.74 c1cc(ccc1[N+](=O)[O-])SCCO TS37734 [0,2,0,0,0,0|1,1,0]=4 747 B13R1.77 CCCCc1ccc(cc1)CC=C TS45845 [0,2,0,0,0,0|2,0,0]=4 748 B13R1.77 CCCCc1ccc(cc1)N=C=O TS45990 [0,2,0,0,0,0|1,0,1]=4 749 B13R1.371 CCCCCc1ccc(cc1)C=O TS46156 [0,2,0,0,0,0|1,0,0]=3 750 B13R1.371 CCCCOc1ccc(cc1)C#C TS13533 [0,2,0,0,0,0|1,0,1]=4 751 B13R1.371 CCCCOc1ccc(cc1)C#N TS13716 [0,2,0,0,0,0|1,0,1]=4 752 B13R1.371 CCCCOc1ccc(cc1)C=O TS77177 [0,2,0,0,0,0|0,0,0]=2 753 B13R1.371 CCCCOc1ccc(cc1)CBr TS57828 [0,2,0,0,0,0|1,0,1]=4 754 B13R1.371 CCCCOc1ccc(cc1)CN TS44762 [0,2,0,0,0,0|1,0,1]=4 755 B13R1.371 CCCCOc1ccc(cc1)CO TS47954 [0,2,0,0,0,0|0,0,2]=4 756 B13R1.371 c1cc(ccc1C=O)OCCCBr TS57814 [0,2,0,0,0,0|0,0,0]=2 757 B13R1.371 c1cc(ccc1C=O)OCCCO TS14615 [0,2,0,0,0,0|0,0,0]=2 758 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)Cl TS49876 [0,2,0,0,0,0|1,0,0]=3 759 B13R1.140 [B-](c1ccc(cc1)OCC)(F)(F)F TS52580 [0,2,0,0,0,0|2,0,0]=4 760 B13R1.144 B(c1ccc(c(c1)C)OCC)(O)O TS07659 [0,2,0,0,0,0|1,0,1]=4 761 B13R1.144 B(c1ccc(c(c1)Cl)OCC)(O)O TS19093 [0,2,0,0,0,0|1,0,1]=4 762 B13R1.144 CCCc1ccc(cc1Br)C(=O)O TS26966 [0,2,0,0,0,0|1,0,0]=3 763 B13R1.144 CCCc1ccc(cc1I)C(=O)O TS58063 [0,2,0,0,0,0|1,0,0]=3 764 B13R1.144 CCNc1ccc(cc1Br)C(=O)O TS61960 [0,2,0,0,0,0|1,0,0]=3 765 B13R1.144 CCNc1ccc(cc1I)C(=O)O TS58139 [0,2,0,0,0,0|1,0,0]=3 766 B13R1.144 CCOc1c(cc(cn1)[N+](=O)[O-])Br TS62390 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.144 CCOc1ccc(cc1Br)C(=O)O TS27259 [0,2,0,0,0,0|0,0,0]=2 768 B13R1.144 CCOc1ccc(cc1I)C(=O)O TS58251 [0,2,0,0,0,0|0,0,0]=2 769 B13R1.385 B(c1ccc(cc1C)OCC)(O)O TS07657 [0,2,0,0,0,0|1,0,1]=4 770 B13R1.385 B(c1ccc(cc1Cl)OCC)(O)O TS46503 [0,2,0,0,0,0|1,0,1]=4 771 B13R1.385 CCOc1ccc(c(c1)F)[N+](=O)[O-] TS48711 [0,2,0,0,0,0|1,0,0]=3 772 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C TS14611 [0,2,0,0,0,0|0,0,0]=2 773 B13R1.385 CCOc1ccc(c(c1)O)C(=O)O TS48228 [0,2,0,0,0,0|0,0,0]=2 774 B13R1.388 CCOc1ccc(c(c1)Cl)OCC TS38008 [0,2,0,0,0,0|1,0,1]=4 775 B13R1.388 CCOc1ccc(c(c1)N)OCC TS48111 [0,2,0,0,0,0|1,0,1]=4 776 B13R1.388 CCOc1ccc(c(c1)S)OCC TS18668 [0,2,0,0,0,0|1,0,1]=4 777 B13R1.388 CCOc1ccc(cc1O)C=CC TS47560 [0,2,0,0,0,0|1,0,0]=3 778 B13R1.1249 CCOc1ccc(cc1OC)C=O TS14604 [0,2,0,0,0,0|0,0,0]=2 779 B13R1.1249 CCOc1ccc(cc1OC)CO TS14976 [0,2,0,0,0,0|0,0,2]=4 780 B13R1.1254 CCOc1ccc(c(c1F)F)C#N TS15099 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.13 CCOc1cccc(c1F)F TS59507 [0,0,1,1,0,0|2,0,0]=4 782 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [1,0,0,1,0,0|1,0,1]=4 783 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,0,0,1,0,0|1,0,1]=4 784 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [1,0,0,1,0,0|2,0,0]=4 785 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,0,0,1,0,0|1,0,0]=3 786 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [1,0,0,1,0,0|2,0,0]=4 787 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [1,0,0,1,0,0|2,0,0]=4 788 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [1,0,0,1,0,0|2,0,0]=4 789 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,0,0,1,0,0|1,0,0]=3 790 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [1,0,0,1,0,0|2,0,0]=4 791 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [1,0,0,1,0,0|2,0,0]=4 792 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,0,0,1,0,0|1,0,0]=3 793 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [1,0,0,1,0,0|2,0,0]=4 794 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,0,0,1,0,0|1,0,1]=4 795 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,0,0,1,0,0|0,0,1]=3 796 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [1,0,0,1,0,0|1,0,1]=4 797 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [1,0,0,1,0,0|0,0,2]=4 798 B13R2.2121 Cn1cc2cc(ccc2n1)C=O TS89433 [0,1,0,1,0,0|2,0,0]=4 799 B13R2.2121 Cn1cc2ccc(cc2n1)C=O TS85890 [0,1,0,1,0,0|2,0,0]=4 800 B13R2.57 COc1ccc2c(c1)NCCO2 TS12016 [0,1,0,1,0,0|2,0,0]=4 801 B13R2.57 [C-]#[N+]c1ccc2c(c1)OCCO2 TS11366 [0,1,0,1,0,0|2,0,0]=4 802 B13R2.57 c1c(cnc2c1OCCO2)C=O TS22982 [0,1,0,1,0,0|1,0,0]=3 803 B13R2.57 c1c(ncc2c1OCCO2)C=O TS60231 [0,1,0,1,0,0|1,0,0]=3 804 B13R2.57 c1cc2c(cc1C#N)OCCO2 TS11365 [0,1,0,1,0,0|1,0,1]=4 805 B13R2.57 c1cc2c(cc1C=O)CCCC2 TS42183 [0,1,0,1,0,0|1,0,0]=3 806 B13R2.57 c1cc2c(cc1C=O)OCCO2 TS39994 [0,1,0,1,0,0|0,0,0]=2 807 B13R2.57 c1cc2c(cc1CN)CCCO2 TS11733 [0,1,0,1,0,0|1,0,1]=4 808 B13R2.57 c1cc2c(cc1CN)OCCO2 TS65768 [0,1,0,1,0,0|1,0,1]=4 809 B13R2.57 c1cc2c(cc1CO)OCCO2 TS08780 [0,1,0,1,0,0|0,0,2]=4 810 B13R2.57 c1cc2c(cc1NN)OCCO2 TS00562 [0,1,0,1,0,0|2,0,0]=4 811 B13R2.57 c1cc2c(nc1C=O)OCCO2 TS16352 [0,1,0,1,0,0|1,0,0]=3 812 B13R2.669 COc1ccc2c(c1)C(CO2)N TS19279 [0,1,0,1,0,0|2,0,0]=4 813 B13R2.669 Cn1c2cc(ccc2cn1)C=O TS91664 [0,1,0,1,0,0|2,0,0]=4 814 B13R2.669 Cn1cnc2c1cc(cc2)C=O TS11245 [0,1,0,1,0,0|1,0,1]=4 815 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O TS47158 [0,1,0,1,0,0|1,0,1]=4 816 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 TS42186 [0,1,0,1,0,0|1,0,0]=3 817 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 TS42442 [0,1,0,1,0,0|0,0,0]=2 818 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 TS11822 [0,1,0,1,0,0|1,0,0]=3 819 B13R2.430 C[C@H](c1ccc2c(c1)CCO2)N TS11724 [0,1,0,1,0,0|1,0,1]=4 820 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 TS19113 [0,1,0,1,0,0|2,0,0]=4 821 B13R2.430 c1cc2c(cc1C(=O)Cl)CCO2 TS07694 [0,1,0,1,0,0|0,0,0]=2 822 B13R2.430 c1cc2c(cc1C(=O)Cl)OCO2 TS15369 [0,1,0,1,0,0|1,0,0]=3 823 B13R2.430 c1cc2c(cc1C(=O)N)OCO2 TS11998 [0,1,0,1,0,0|1,0,0]=3 824 B13R2.430 c1cc2c(cc1C(=O)O)CCN2 TS42558 [0,1,0,1,0,0|1,0,0]=3 825 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 TS47159 [0,1,0,1,0,0|0,0,0]=2 826 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 TS90031 [0,1,0,1,0,0|2,0,0]=4 827 B13R2.430 c1cc2c(cc1C(=O)O)NCC2 TS11708 [0,1,0,1,0,0|2,0,0]=4 828 B13R2.430 c1cc2c(cc1C(=O)O)OCC2 TS11817 [0,1,0,1,0,0|2,0,0]=4 829 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 TS12139 [0,1,0,1,0,0|1,0,0]=3 830 B13R2.430 c1cc2c(cc1C(=S)N)CCO2 TS47769 [0,1,0,1,0,0|0,1,0]=3 831 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 TS39219 [0,1,0,1,0,0|1,1,0]=4 832 B13R2.430 c1cc2c(cc1N(=O)=O)CCC2 TS11691 [0,1,0,1,0,0|2,0,0]=4 833 B13R2.430 c1cc2c(cc1N(=O)=O)OCO2 TS33189 [0,1,0,1,0,0|2,0,0]=4 834 B13R2.430 c1cc2c(cc1[N+](=O)[O-])CCN2 TS11827 [0,1,0,1,0,0|2,0,0]=4 835 B13R2.430 c1cc2c(cco2)cc1C(=O)Cl TS47996 [0,1,0,1,0,0|0,0,2]=4 836 B13R2.430 c1cc2c(cco2)cc1C(=O)O TS01364 [0,1,0,1,0,0|0,0,2]=4 837 B13R2.654 c1c(cc2c(c1O)OCO2)C=O TS12136 [0,1,0,1,0,0|1,0,0]=3 838 B13R2.449 C=CCc1ccc2c(c1)OCO2 TS42437 [0,1,0,1,0,0|2,0,0]=4 839 B13R2.449 CC=Cc1ccc2c(c1)OCO2 TS11542 [0,1,0,1,0,0|2,0,0]=4 840 B13R2.449 CCOc1ccc2c(c1)cn[nH]2 TS11565 [0,1,0,1,0,0|2,0,0]=4 841 B13R2.449 CCOc1ccc2cc[nH]c2c1 TS59622 [0,1,0,1,0,0|1,0,0]=3 842 B13R2.449 c1cc2c(cc1C=NO)OCO2 TS11997 [0,1,0,1,0,0|1,0,1]=4 843 B13R2.449 c1cc2c(cc1CCBr)CCO2 TS71310 [0,1,0,1,0,0|1,0,1]=4 844 B13R2.449 c1cc2c(cc1CCCl)CCO2 TS94253 [0,1,0,1,0,0|1,0,1]=4 845 B13R2.449 c1cc2c(cc1N=C=O)CCO2 TS08756 [0,1,0,1,0,0|0,0,1]=3 846 B13R2.599 c1c(c(cc2c1OCO2)Br)C=O TS55554 [0,1,0,1,0,0|1,0,0]=3 847 B13R2.599 c1c(c(cc2c1OCO2)Cl)C=O TS15370 [0,1,0,1,0,0|1,0,0]=3 848 B9R0.34 CCOC(=O)C=C(C)C=O TS37563 [0,0,1,0,1,0|1,0,1]=4 849 B9R1.7 CCOC1=CC(=O)CC1 TS36121 [1,0,0,0,1,0|0,0,2]=4 850 B9R1.7 CCOC1C=CC(=O)O1 TS36280 [1,0,0,0,1,0|1,0,1]=4 851 B9R1.21 CCc1[nH]cc(n1)C=O TS05022 [1,0,0,0,1,0|2,0,0]=4 852 B9R1.21 CCc1ccc(o1)C=O TS32598 [1,0,0,0,1,0|1,0,0]=3 853 B9R1.21 CCc1ccc(s1)C=O TS06487 [1,0,0,0,1,0|1,0,0]=3 854 B9R1.21 CCc1csc(n1)C=O TS71101 [1,0,0,0,1,0|2,0,0]=4 855 B9R1.21 CCn1cc(cn1)C=O TS77176 [1,0,0,0,1,0|2,0,0]=4 856 B9R1.21 CSc1ccc([nH]1)C=O TS37496 [1,0,0,0,1,0|1,1,0]=4 857 B9R1.21 CSc1ccc(s1)C=O TS11041 [1,0,0,0,1,0|1,1,0]=4 858 B9R1.21 c1cc(oc1CCl)C=O TS40262 [1,0,0,0,1,0|2,0,0]=4 859 B9R1.21 c1cc(oc1CO)C=O TS71320 [1,0,0,0,1,0|2,0,0]=4