0 B11R1.41 CCNc1c(cccn1)OC H51013 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.41 CCOc1ccccc1C#N H28012 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 CCOc1ccccc1C=O A15035 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.41 CCOc1ccccc1CO A15477 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.41 CCOc1cccnc1NC H51011 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.41 CCc1ccccc1N=C=O L15252 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.41 CCc1ccccc1N=C=S L09821 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.41 CNCc1ccccc1OC H63339 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.41 COc1ccccc1CC#N B24400 [0,0,0,0,0,0|0,0,2]=2 9 B11R1.41 COc1ccccc1N=C=O A18075 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.41 COc1ccccc1N=C=S L11799 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.41 CSc1ccccc1N=C=S L11421 [0,0,0,0,0,0|2,1,1]=4 12 B11R1.41 c1ccc(c(c1)CC#N)C#N L12419 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.4 C=CCc1ccccc1O A10755 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.4 CCCc1c(nccn1)C B22013 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCCc1ccccc1O A11088 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.4 CCNc1ccccc1C A11315 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 CCOc1ccccc1O B24755 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.4 CNCc1ccccc1Br H63390 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 CNCc1ccccc1Cl H54680 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.4 CNCc1ccccc1F H54439 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.4 Cc1ccccc1CC#N A14787 [1,0,0,0,0,0|0,0,2]=3 22 B10R1.4 Cc1ccccc1CCN H28320 [1,0,0,0,0,0|0,0,0]=1 23 B10R1.4 Cc1ccccc1CNC H63956 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.4 Cc1ccccc1N=C=O L12247 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.4 Cc1ccccc1N=C=S B22845 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.4 Cc1ccccc1NC=O B25134 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.20 CCc1c(nccn1)CC A13277 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.20 CCc1c(nccn1)OC A15817 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.20 CCc1ccccc1CC A19548 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.20 CCc1ccccc1CC L18775 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.20 CCc1ccccc1NN A16853 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.20 CNc1c(cccn1)OC H51012 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.20 COc1c(cccn1)C#N H52373 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.20 COc1c(cccn1)C=O H50087 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.20 COc1ccccc1C#N L01293 [1,0,0,0,0,0|0,0,2]=3 45 B10R1.20 COc1ccccc1C=O A10770 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.20 COc1ccccc1CN L02273 [1,0,0,0,0,0|0,0,0]=1 47 B10R1.20 COc1ccccc1CO A14016 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.20 COc1ccccc1C[Mg+] H54177 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.20 COc1ccccc1OC A11985 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.20 COc1cccnc1OC L19624 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.20 CSc1ccccc1C#N L06870 [1,0,0,0,0,0|0,1,2]=4 52 B10R1.20 c1ccc(c(c1)CBr)C#N B24278 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.20 c1ccc(c(c1)CBr)CBr A17241 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.20 c1ccc(c(c1)CCl)CCl A12500 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.20 c1ccc(c(c1)CO)CO B23008 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.75 CC(=O)Cc1ccccc1OC B24495 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.75 CC(=O)Oc1ccccc1OC B20242 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.75 CC(C)Cc1c(nccn1)OC A13680 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.75 COc1ccccc1CC(=O)O A15211 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.75 COc1ccccc1CC(=S)N H31541 [0,1,0,0,0,0|0,0,1]=2 61 B12R1.75 COc1ccccc1NC(=S)N L11840 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.77 CNC(=O)c1ccccc1OC H56836 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.77 COc1ccccc1C(=O)CBr L07696 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.77 COc1ccccc1C(=O)NN A13619 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.77 COc1ccccc1C(=O)OC A17703 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.112 CCc1cc(ccc1NCC)Br H50589 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.121 CCCOc1ccccc1C=O H50473 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.121 COc1ccccc1OCCBr H52382 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.121 COc1ccccc1OCCN H50251 [0,1,0,0,0,0|0,0,0]=1 70 B12R1.169 CCOc1ccccc1N=C=O L11299 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.169 CCOc1ccccc1OCC A17283 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.268 COc1ccc(cc1CC#N)F H31709 [0,1,0,0,0,0|0,0,2]=3 73 B12R1.268 COc1ccc(cc1CCN)Br L19875 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.268 COc1ccc(cc1N=C=O)Cl B22395 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.268 COc1ccc(cc1N=C=S)Cl L11769 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.268 Cc1ccc(c(c1)N=C=O)OC L16001 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.268 Cc1ccc(c(c1)N=C=S)OC L11085 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.283 B(c1ccccc1CCBr)(O)O H53185 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.283 CCOc1ccccc1C(=O)C B20113 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.542 COc1c(cccc1F)CC#N H31975 [0,1,0,0,0,0|0,0,2]=3 81 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 CC1CNc2ccccc2S1 H61005 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,0|2,0,1]=4 87 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,0,0,1,0,0|1,0,0]=2 88 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,1,0,0|2,0,1]=4 89 B12R2.41 c1ccc2c(c1)CNCCN2 H27843 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.41 c1ccc2c(c1)OCCCO2 H27374 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.315 COc1cccc2c1[nH]cc2 H63767 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.315 COc1cccc2c1cc[nH]2 L19069 [0,0,0,1,0,0|0,0,2]=3 93 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.1081 CC1c2ccccc2CCN1 H64191 [0,0,0,1,0,0|1,0,0]=2 95 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.8 C#CCc1ccccc1 H53500 [2,0,0,0,0,0|1,0,1]=4 100 B9R1.8 C=CCc1ccccc1 A12965 [2,0,0,0,0,0|1,0,1]=4 101 B9R1.8 CCCc1ccccc1 B21468 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.8 CCNc1ccccc1 A15060 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.8 CCOc1ccccc1 A15501 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.8 CCSc1ccccc1 A13987 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.8 CNCc1ccccc1 A13746 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.8 COCc1ccccc1 B23490 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.8 c1cc(cnc1)CCN L16311 [2,0,0,0,0,0|1,0,0]=3 108 B9R1.8 c1ccc(cc1)CC#N A10694 [2,0,0,0,0,0|0,0,2]=4 109 B9R1.8 c1ccc(cc1)CC=O A14263 [2,0,0,0,0,0|1,0,1]=4 110 B9R1.8 c1ccc(cc1)CCBr A12528 [2,0,0,0,0,0|1,0,0]=3 111 B9R1.8 c1ccc(cc1)CCCl L04891 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.8 c1ccc(cc1)CCN A13402 [2,0,0,0,0,0|0,0,0]=2 113 B9R1.8 c1ccc(cc1)CCO A15241 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.8 c1ccc(cc1)CNN H54916 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.8 c1ccc(cc1)CON A17393 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.8 c1ccc(cc1)CON L13601 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.8 c1ccnc(c1)CCN L05627 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.8 c1ccnc(c1)CCO B23579 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.8 c1cnccc1CCN H27545 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.8 c1cnccc1CCO L13780 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.15 CCc1c(nccn1)C A11092 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.15 CCc1ccccc1Br B23449 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.15 CCc1ccccc1C L02028 [2,0,0,0,0,0|0,0,0]=2 125 B9R1.15 CCc1ccccc1I A14509 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.15 CCc1ccccc1N A14984 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.15 CCc1ccccc1O L01637 [2,0,0,0,0,0|0,0,0]=2 128 B9R1.15 CCc1ccccc1S L11498 [2,0,0,0,0,0|0,1,0]=3 129 B9R1.15 CCc1ccccc1[Zn+] H58221 [2,0,0,0,0,0|1,0,0]=3 130 B9R1.15 CCc1cnccc1C B21406 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.15 CNc1ccccc1Br H55166 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.15 CNc1ccccc1Cl A14343 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.15 COc1c(cccn1)Br H27279 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.15 COc1c(cccn1)Cl H27526 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 COc1c(cccn1)F H31901 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.15 COc1c(cccn1)I H50059 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.15 COc1ccc[nH]c1=O L07080 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.15 COc1ccccc1Br A11692 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.15 COc1ccccc1Cl L06952 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.15 COc1ccccc1F A12380 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.15 COc1ccccc1I A10150 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.15 COc1ccccc1N A10288 [2,0,0,0,0,0|0,0,0]=2 143 B9R1.15 COc1ccccc1O A16319 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.15 COc1ccccc1S L09689 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.15 COc1ccccc1[Mg+] H54579 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.15 COc1ccccc1[Zn+] H58341 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.15 COc1cccnc1Cl L17696 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.15 COc1cccnc1I L19868 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 COc1ccncc1Br H64296 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 COc1ccncc1Cl H64298 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.15 COc1ccncc1F H64603 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 CSc1ccccc1Br A13632 [2,0,0,0,0,0|1,1,0]=4 153 B9R1.15 CSc1ccccc1I A14051 [2,0,0,0,0,0|1,1,0]=4 154 B9R1.15 CSc1ccccc1N A12762 [2,0,0,0,0,0|0,1,0]=3 155 B9R1.15 CSc1ccccc1O L10128 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.15 Cc1c(nccn1)OC L08067 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 Cc1ccccc1C#N B22231 [2,0,0,0,0,0|0,0,2]=4 158 B9R1.15 Cc1ccccc1C=C A12676 [2,0,0,0,0,0|0,0,2]=4 159 B9R1.15 Cc1ccccc1C=O A10172 [2,0,0,0,0,0|1,0,1]=4 160 B9R1.15 Cc1ccccc1CBr B21717 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.15 Cc1ccccc1CCl A13448 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.15 Cc1ccccc1CN L05243 [2,0,0,0,0,0|0,0,0]=2 163 B9R1.15 Cc1ccccc1CO A12696 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.15 Cc1ccccc1CS A15816 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.15 Cc1ccccc1C[Mg+] H54170 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.15 Cc1ccccc1NN A15767 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.15 Cc1ccccc1OC A13897 [2,0,0,0,0,0|0,0,0]=2 168 B9R1.15 c1cc(c(nc1)CBr)O L19525 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 c1ccc(c(c1)C#N)N A12286 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.15 c1ccc(c(c1)C#N)O A13606 [2,0,0,0,0,0|0,0,2]=4 171 B9R1.15 c1ccc(c(c1)C=O)O A13833 [2,0,0,0,0,0|1,0,1]=4 172 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.15 c1ccc(c(c1)CBr)F A12692 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.15 c1ccc(c(c1)CBr)I B21715 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.15 c1ccc(c(c1)CCl)F A11566 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.15 c1ccc(c(c1)CN)Br A12412 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.15 c1ccc(c(c1)CN)Br A18151 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.15 c1ccc(c(c1)CN)F A15623 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.15 c1ccc(c(c1)CO)Br A15700 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.15 c1ccc(c(c1)CO)F A14791 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.15 c1ccc(c(c1)CO)I L15126 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 c1ccc(c(c1)CO)N A13180 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 c1ccc(c(c1)CO)O A14410 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.15 c1ccc(c(c1)CO)S L11536 [2,0,0,0,0,0|1,1,0]=4 190 B9R1.15 c1ccc(c(c1)CS)Br H26247 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.15 c1ccc(c(c1)NN)Br B23966 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.15 c1ccc(c(c1)NN)F A13716 [2,0,0,0,0,0|2,0,0]=4 200 B11R1.13 Cc1c(cccc1F)CC#N H32846 [1,1,0,0,0,0|0,0,2]=4 201 B11R1.13 c1cc(c(c(c1)Cl)F)CCO H31742 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.13 c1cc(c(c(c1)F)F)CCO H32408 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.17 CCNCc1ccccc1F H56127 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.17 c1ccc(c(c1)CCCO)Br H63884 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.17 c1ccc(c(c1)OCCN)Cl H50704 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.17 c1ccc(c(c1)OCCN)F H50835 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.17 c1ccc(c(c1)OCCO)Cl L04368 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.81 Cc1cc(ccc1CC#N)F H32892 [1,1,0,0,0,0|0,0,2]=4 209 B11R1.81 c1cc(c(cc1Cl)Cl)CCO H64345 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.86 CC(C)Oc1ccccc1O L07360 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.86 CC(Cc1ccccc1F)N H50999 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.86 Cc1ccccc1CC(=O)O A15783 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.86 Cc1ccccc1CC(=S)N H33111 [1,1,0,0,0,0|0,0,1]=3 215 B11R1.86 Cc1ccccc1NC(=O)N B23086 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.86 Cc1ccccc1NC(=S)N B22350 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.86 c1ccc(c(c1)NC(=S)N)O L10519 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.182 CCNc1cc(ccc1C)O L12768 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.182 CCOc1cc(ccc1O)C L08898 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.182 Cc1ccc(c(c1)CC#N)C L01942 [1,1,0,0,0,0|0,0,2]=4 223 B11R1.182 c1cc(c(cc1F)CCO)F H32082 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.222 CCC(=O)c1ccccc1O B25442 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.222 CCC(C)c1ccccc1O A18461 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.222 CCC(c1ccccc1F)O H31929 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.222 Cc1ccccc1C(=O)NN L00668 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.605 CCCc1c(cccc1O)O H27024 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.37 COc1cc(ccc1C#N)F H26627 [1,1,0,0,0,0|0,0,2]=4 235 B11R1.37 COc1cc(ccc1C=O)Br H55545 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.37 COc1cc(ccc1C=O)F H26091 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.37 COc1cc(ccc1C=O)O A11127 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.37 COc1cc(ccc1CN)F H26796 [1,1,0,0,0,0|0,0,0]=2 239 B11R1.37 COc1cc(ccc1CN)F H51153 [1,1,0,0,0,0|0,0,0]=2 240 B11R1.37 COc1cc(ccc1CO)Br H27339 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.37 COc1cc(ccc1CO)Cl H27562 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.37 COc1ccc(cc1C#N)Br H50605 [1,1,0,0,0,0|0,0,2]=4 243 B11R1.37 COc1ccc(cc1C#N)Cl A15185 [1,1,0,0,0,0|0,0,2]=4 244 B11R1.37 COc1ccc(cc1C#N)F B25505 [1,1,0,0,0,0|0,0,2]=4 245 B11R1.37 COc1ccc(cc1C=O)Br A19396 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.37 COc1ccc(cc1C=O)Cl H31860 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.37 COc1ccc(cc1C=O)F B24684 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.37 COc1ccc(cc1C=O)I H66320 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.37 COc1ccc(cc1CBr)F H25957 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.37 COc1ccc(cc1CN)F H32897 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.37 COc1ccc(cc1CO)F H32256 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.37 COc1ccc(cc1OC)Br A11133 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.37 COc1ccc(cc1OC)F A17936 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.37 COc1ccc(cc1OC)N A13548 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.37 COc1ccc(cc1OC)O A11344 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.37 COc1ccc(cc1OC)S A14745 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.37 COc1ccc(cc1OC)[Mg+] H54654 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.37 Cc1ccc(c(c1)OC)OC A15558 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.53 B(c1ccccc1CC)(O)O L17719 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.53 B(c1ccccc1OC)(O)O B21071 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.53 CC(=O)c1ccccc1OC A11929 [1,1,0,0,0,0|0,0,1]=3 262 B11R1.53 CC(C)c1ccccc1OC H53383 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.53 COc1ccccc1C(=O)Cl B22784 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.53 COc1ccccc1C(=O)N A12520 [1,1,0,0,0,0|0,0,1]=3 265 B11R1.53 COc1ccccc1C(=O)O A13513 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.53 COc1ccccc1C(=S)N H32737 [1,1,0,0,0,0|0,0,1]=3 267 B11R1.53 COc1ccccc1[N+](=O)[O-] A19518 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.53 C[C@@H](c1ccccc1OC)N H26948 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.53 C[C@H](c1ccccc1OC)N H27669 [1,1,0,0,0,0|0,0,0]=2 270 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] A18900 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.265 COc1c(cccc1F)C#N H32284 [1,1,0,0,0,0|0,0,2]=4 272 B11R1.265 COc1c(cccc1F)C=O H32971 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.265 COc1c(cccc1F)CBr H32562 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.265 COc1c(cccc1F)CN H32293 [1,1,0,0,0,0|0,0,0]=2 275 B11R1.265 COc1c(cccc1F)CO H32416 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.265 COc1cccc(c1C#N)F A11064 [1,1,0,0,0,0|0,0,2]=4 277 B11R1.265 COc1cccc(c1C=O)F H26086 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.265 COc1cccc(c1C=O)O L13145 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.265 COc1cccc(c1CBr)F H26136 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.265 COc1cccc(c1CO)F H32878 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.265 COc1cccc(c1OC)Br H27835 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.265 COc1cccc(c1OC)O 44060 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.265 COc1ccnc(c1OC)Cl H33697 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.265 Cc1cccc(c1OC)OC A11617 [1,1,0,0,0,0|1,0,0]=3 285 B13R1.51 COc1cc(ccc1CC(=O)O)F H26430 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.115 COc1c(cccc1F)CC(=O)O H31678 [0,2,0,0,0,0|1,0,1]=4 287 B13R1.380 c1ccc(c(c1)CC#N)OC(F)F H50641 [0,2,0,0,0,0|0,0,2]=4 288 B13R1.3089 COc1ccc(cc1CC(=O)O)F H32757 [0,2,0,0,0,0|1,0,1]=4 289 B13R1.3089 COc1ccc(cc1NC(=S)N)Cl A13557 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.3089 Cc1ccc(c(c1)NC(=S)N)OC L12101 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.464 CCNC(=O)c1ccccc1OC H59445 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.464 CCOC(=O)c1ccccc1OC A11287 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.1249 CCOc1ccc(cc1OC)C=O A10897 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.1249 CCOc1ccc(cc1OC)CO H50343 [0,2,0,0,0,0|2,0,0]=4 295 B13R1.84 CNCCOc1ccccc1OC H50299 [0,2,0,0,0,0|0,0,0]=2 296 B13R1.84 COc1ccccc1OCCCN H52396 [0,2,0,0,0,0|0,0,0]=2 297 B13R1.90 COc1ccccc1CCC(=O)O A14314 [0,2,0,0,0,0|1,0,0]=3 298 B13R1.90 COc1ccccc1OCC(=O)O B20672 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.485 CCOc1ccccc1OCCBr L20300 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.355 CCOc1cc(ccc1OC)C=O B24762 [0,2,0,0,0,0|2,0,0]=4 301 B13R1.355 COc1ccc(c(c1)CCN)OC H60964 [0,2,0,0,0,0|0,0,0]=2 302 B13R1.381 c1ccc(c(c1)CCN)C(F)(F)F H64492 [0,2,0,0,0,0|2,0,0]=4 303 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [1,0,0,1,0,0|1,0,1]=4 304 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [1,0,0,1,0,0|1,0,1]=4 305 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [1,0,0,1,0,0|0,0,0]=2 306 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [1,0,0,1,0,0|0,0,0]=2 307 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [1,0,0,1,0,0|1,0,0]=3 308 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [1,0,0,1,0,0|1,0,1]=4 309 B11R2.20 c1ccc2c(c1)CCCC2 A14962 [1,0,0,1,0,0|1,0,0]=3 310 B11R2.20 c1ccc2c(c1)CCCN2 B22750 [1,0,0,1,0,0|2,0,0]=4 311 B11R2.20 c1ccc2c(c1)CCNC2 L08143 [1,0,0,1,0,0|0,0,0]=2 312 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [1,0,0,1,0,0|1,0,0]=3 313 B11R2.20 c1ccc2c(c1)NCCO2 H33641 [1,0,0,1,0,0|2,0,0]=4 314 B11R2.20 c1ccc2c(c1)OCCO2 A17558 [1,0,0,1,0,0|2,0,0]=4 315 B11R2.106 Cc1cccc2c1cn[nH]2 H37039 [1,0,0,1,0,0|1,0,1]=4 316 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 H25843 [1,0,0,1,0,0|2,0,0]=4 317 B11R2.106 c1cc2c(cc[nH]2)c(c1)O L14352 [1,0,0,1,0,0|0,0,2]=4 318 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [1,0,0,1,0,0|1,0,1]=4 319 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [1,0,0,1,0,0|2,0,0]=4 320 B11R2.1 c1ccc2c(c1)CCC2N A16585 [1,0,0,1,0,0|1,0,0]=3 321 B11R2.1 c1ccc2c(c1)CCC2O B24536 [1,0,0,1,0,0|2,0,0]=4 322 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [1,0,0,1,0,0|1,0,0]=3 323 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [1,0,0,1,0,0|1,0,0]=3 324 B13R2.581 COc1cccc2c1nc(s2)N L11358 [0,1,0,1,0,0|1,0,1]=4 325 B13R2.582 COc1cccc2c1C(=O)CC2 H66249 [0,1,0,1,0,0|1,0,1]=4 326 B13R2.582 COc1cccc2c1c(n[nH]2)N H33750 [0,1,0,1,0,0|1,0,1]=4 327 B13R2.2931 Cn1cc(c2c1cccc2)CN H34418 [0,1,0,1,0,0|1,0,1]=4 328 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCN A11030 [0,1,0,1,0,0|1,0,1]=4 329 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCN A11116 [0,1,0,1,0,0|1,0,1]=4 330 B13R2.57 c1ccc2c(c1)OCC(O2)CBr B22149 [0,1,0,1,0,0|1,0,0]=3 331 B13R2.57 c1ccc2c(c1)OCC(O2)CCl L04137 [0,1,0,1,0,0|1,0,0]=3 332 B13R2.57 c1ccc2c(c1)OCC(O2)CO A14170 [0,1,0,1,0,0|1,0,0]=3 333 B13R2.135 CC[n+]1c(oc2c1cccc2)C A18778 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.14 COc1cscc1OC H56674 [1,0,0,0,1,0|2,0,0]=4