0 B10R1.4 C=CCc1ccccc1O A10755 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.4 CCCc1c(nccn1)C B22013 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.4 CCCc1ccccc1O A11088 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.4 CCNc1ccccc1C A11315 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.4 CCOc1c(cccn1)Br H27690 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.4 CCOc1c(cccn1)I H50100 [0,0,0,0,0,0|3,1,0]=4 6 B10R1.4 CCOc1ccccc1O B24755 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.4 CNCc1ccccc1Br H63390 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.4 CNCc1ccccc1Cl H54680 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.4 CNCc1ccccc1F H54439 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.4 Cc1ccccc1CC#N A14787 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.4 Cc1ccccc1CCN H28320 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.4 Cc1ccccc1CNC H63956 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.4 Cc1ccccc1N=C=O L12247 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.4 Cc1ccccc1N=C=S B22845 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.4 Cc1ccccc1NC=O B25134 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [0,0,0,0,0,0|0,1,2]=3 17 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [0,0,0,0,0,0|0,0,2]=2 18 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [0,0,0,0,0,0|0,1,2]=3 19 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [0,0,0,0,0,0|0,1,2]=3 20 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [0,0,0,0,0,0|0,1,0]=1 22 B10R1.4 c1ccc(c(c1)CCO)F L19998 [0,0,0,0,0,0|1,1,0]=2 23 B10R1.4 c1ccc(c(c1)N=C=O)Br L12521 [0,0,0,0,0,0|2,1,1]=4 24 B10R1.4 c1ccc(c(c1)N=C=O)Cl B21489 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.4 c1ccc(c(c1)N=C=O)F A17466 [0,0,0,0,0,0|2,1,1]=4 26 B10R1.4 c1ccc(c(c1)N=C=S)Br L09971 [0,0,0,0,0,0|2,1,1]=4 27 B10R1.4 c1ccc(c(c1)N=C=S)Cl A18238 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.4 c1ccc(c(c1)N=C=S)F A18314 [0,0,0,0,0,0|2,1,1]=4 29 B10R1.4 c1ccc(c(c1)N=C=S)I L11012 [0,0,0,0,0,0|2,1,1]=4 30 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.4 c1ccc(c(c1)\C=N\O)Br B23023 [0,0,0,0,0,0|2,1,1]=4 32 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 c1cc(cnc1)CC#N B24964 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 c1cc[n+](cc1)CC#N A14327 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|0,0,2]=3 49 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,0,0,0,0|0,0,0]=1 53 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 c1ccnc(c1)CC#N A13087 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.8 c1ccnc(c1)CCO B23579 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 c1cnc(cn1)CCS A13045 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 c1cnccc1CC#N B25095 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.8 c1cnccc1CC#N H64588 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.8 c1cnccc1CCN H27545 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.8 c1cnccc1CCO L13780 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.15 C#Cc1ccccc1Cl H53441 [1,0,0,0,0,0|0,0,2]=3 75 B9R1.15 C#Cc1ccccc1F H60596 [1,0,0,0,0,0|0,1,2]=4 76 B9R1.15 C=Cc1ccccc1Br B24181 [1,0,0,0,0,0|0,1,2]=4 77 B9R1.15 C=Cc1ccccc1Cl B21551 [1,0,0,0,0,0|0,0,2]=3 78 B9R1.15 C=Cc1ccccc1F A17425 [1,0,0,0,0,0|0,1,2]=4 79 B9R1.15 CCc1c(nccn1)C A11092 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.15 CCc1ccccc1Br B23449 [1,0,0,0,0,0|0,1,0]=2 81 B9R1.15 CCc1ccccc1C L02028 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.15 CCc1ccccc1I A14509 [1,0,0,0,0,0|0,1,0]=2 83 B9R1.15 CCc1ccccc1N A14984 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.15 CCc1ccccc1O L01637 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.15 CCc1ccccc1S L11498 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.15 CCc1ccccc1[Zn+] H58221 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.15 CCc1cnccc1C B21406 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.15 CNc1ccccc1Br H55166 [1,0,0,0,0,0|1,1,0]=3 89 B9R1.15 CNc1ccccc1Cl A14343 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.15 COc1c(cccn1)Br H27279 [1,0,0,0,0,0|2,1,0]=4 91 B9R1.15 COc1c(cccn1)Cl H27526 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.15 COc1c(cccn1)F H31901 [1,0,0,0,0,0|2,1,0]=4 93 B9R1.15 COc1c(cccn1)I H50059 [1,0,0,0,0,0|2,1,0]=4 94 B9R1.15 COc1ccc[nH]c1=O L07080 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.15 COc1ccccc1Br A11692 [1,0,0,0,0,0|1,1,0]=3 96 B9R1.15 COc1ccccc1Cl L06952 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.15 COc1ccccc1F A12380 [1,0,0,0,0,0|1,1,0]=3 98 B9R1.15 COc1ccccc1I A10150 [1,0,0,0,0,0|1,1,0]=3 99 B9R1.15 COc1ccccc1N A10288 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.15 COc1ccccc1O A16319 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.15 COc1ccccc1S L09689 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 COc1ccccc1[Mg+] H54579 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.15 COc1ccccc1[Zn+] H58341 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.15 COc1cccnc1Cl L17696 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.15 COc1cccnc1I L19868 [1,0,0,0,0,0|2,1,0]=4 106 B9R1.15 COc1ccncc1Br H64296 [1,0,0,0,0,0|2,1,0]=4 107 B9R1.15 COc1ccncc1Cl H64298 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.15 COc1ccncc1F H64603 [1,0,0,0,0,0|2,1,0]=4 109 B9R1.15 CSc1ccccc1Br A13632 [1,0,0,0,0,0|1,1,0]=3 110 B9R1.15 CSc1ccccc1I A14051 [1,0,0,0,0,0|1,1,0]=3 111 B9R1.15 CSc1ccccc1N A12762 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.15 CSc1ccccc1O L10128 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.15 Cc1ccccc1C#N B22231 [1,0,0,0,0,0|1,0,2]=4 114 B9R1.15 Cc1ccccc1C=C A12676 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.15 Cc1ccccc1C=O A10172 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.15 Cc1ccccc1CBr B21717 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.15 Cc1ccccc1CCl A13448 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.15 Cc1ccccc1CN L05243 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.15 Cc1ccccc1CO A12696 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.15 Cc1ccccc1CS A15816 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.15 Cc1ccccc1C[Mg+] H54170 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.15 Cc1ccccc1NN A15767 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.15 Cc1ccccc1OC A13897 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.15 c1cc(c(nc1)Br)CBr H52311 [1,0,0,0,0,0|2,1,0]=4 125 B9R1.15 c1cc(c(nc1)Br)CCl H52313 [1,0,0,0,0,0|2,1,0]=4 126 B9R1.15 c1cc(c(nc1)Br)CO H52318 [1,0,0,0,0,0|2,1,0]=4 127 B9R1.15 c1cc(c(nc1)C#N)Cl H26932 [1,0,0,0,0,0|1,0,2]=4 128 B9R1.15 c1cc(c(nc1)CBr)O L19525 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.15 c1cc(c(nc1)Cl)C#N A14818 [1,0,0,0,0,0|1,0,2]=4 130 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.15 c1cc(c(nc1)N)CO H50010 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.15 c1ccc(c(c1)C#N)Br A10679 [1,0,0,0,0,0|0,1,2]=4 134 B9R1.15 c1ccc(c(c1)C#N)Cl B20451 [1,0,0,0,0,0|0,0,2]=3 135 B9R1.15 c1ccc(c(c1)C#N)F A14375 [1,0,0,0,0,0|0,1,2]=4 136 B9R1.15 c1ccc(c(c1)C#N)N A12286 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.15 c1ccc(c(c1)C#N)O A13606 [1,0,0,0,0,0|1,0,2]=4 138 B9R1.15 c1ccc(c(c1)C#N)[Zn+] H58272 [1,0,0,0,0,0|1,0,2]=4 139 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [1,0,0,0,0,0|1,1,1]=4 140 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.15 c1ccc(c(c1)C=O)F A13800 [1,0,0,0,0,0|1,1,1]=4 142 B9R1.15 c1ccc(c(c1)C=O)I L17446 [1,0,0,0,0,0|1,1,1]=4 143 B9R1.15 c1ccc(c(c1)C=O)O A13833 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [1,0,0,0,0,0|1,1,0]=3 145 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.15 c1ccc(c(c1)CBr)F A12692 [1,0,0,0,0,0|1,1,0]=3 147 B9R1.15 c1ccc(c(c1)CBr)I B21715 [1,0,0,0,0,0|1,1,0]=3 148 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [1,0,0,0,0,0|1,1,0]=3 149 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.15 c1ccc(c(c1)CCl)F A11566 [1,0,0,0,0,0|1,1,0]=3 151 B9R1.15 c1ccc(c(c1)CN)Br A12412 [1,0,0,0,0,0|0,1,0]=2 152 B9R1.15 c1ccc(c(c1)CN)Br A18151 [1,0,0,0,0,0|0,1,0]=2 153 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [1,0,0,0,0,0|0,0,0]=1 154 B9R1.15 c1ccc(c(c1)CN)F A15623 [1,0,0,0,0,0|0,1,0]=2 155 B9R1.15 c1ccc(c(c1)CO)Br A15700 [1,0,0,0,0,0|1,1,0]=3 156 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [1,0,0,0,0,0|1,0,0]=2 157 B9R1.15 c1ccc(c(c1)CO)F A14791 [1,0,0,0,0,0|1,1,0]=3 158 B9R1.15 c1ccc(c(c1)CO)I L15126 [1,0,0,0,0,0|1,1,0]=3 159 B9R1.15 c1ccc(c(c1)CO)N A13180 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.15 c1ccc(c(c1)CO)O A14410 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.15 c1ccc(c(c1)CO)S L11536 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.15 c1ccc(c(c1)CS)Br H26247 [1,0,0,0,0,0|1,1,0]=3 163 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [1,0,0,0,0,0|1,0,0]=2 164 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [1,0,0,0,0,0|1,1,0]=3 165 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [1,0,0,0,0,0|1,0,0]=2 166 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [1,0,0,0,0,0|1,1,0]=3 167 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [1,0,0,0,0,0|1,1,0]=3 168 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [1,0,0,0,0,0|1,1,0]=3 169 B9R1.15 c1ccc(c(c1)NN)Br B23966 [1,0,0,0,0,0|1,1,0]=3 170 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [1,0,0,0,0,0|1,0,0]=2 171 B9R1.15 c1ccc(c(c1)NN)F A13716 [1,0,0,0,0,0|1,1,0]=3 172 B9R1.15 c1cncc(c1C#N)Cl H27187 [1,0,0,0,0,0|1,0,2]=4 173 B9R1.15 c1cncc(c1C=O)Cl H55852 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.15 c1cncc(c1Cl)CO H66522 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.15 c1cncc(c1N)CO H50033 [1,0,0,0,0,0|3,0,0]=4 176 B11R1.13 Cc1c(cccc1F)CC#N H32846 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.13 c1cc(c(c(c1)Br)F)CC#N H32021 [0,1,0,0,0,0|0,1,2]=4 178 B11R1.13 c1cc(c(c(c1)Cl)Cl)N=C=O L14780 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.13 c1cc(c(c(c1)Cl)Cl)N=C=S B20930 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.13 c1cc(c(c(c1)Cl)F)CCO H31742 [0,1,0,0,0,0|1,1,0]=3 181 B11R1.13 c1cc(c(c(c1)F)F)CC#N A19934 [0,1,0,0,0,0|0,1,2]=4 182 B11R1.13 c1cc(c(c(c1)F)F)CCO H32408 [0,1,0,0,0,0|1,1,0]=3 183 B11R1.17 CCCOc1c(cccn1)I H50101 [0,1,0,0,0,0|2,1,0]=4 184 B11R1.17 CCNCc1ccccc1F H56127 [0,1,0,0,0,0|1,1,0]=3 185 B11R1.17 c1cc(c(nc1)NCCO)I H50104 [0,1,0,0,0,0|2,1,0]=4 186 B11R1.17 c1ccc(c(c1)CCCO)Br H63884 [0,1,0,0,0,0|1,1,0]=3 187 B11R1.17 c1ccc(c(c1)CN=C=S)Cl L10546 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.17 c1ccc(c(c1)OCC#N)Br A19354 [0,1,0,0,0,0|0,1,2]=4 189 B11R1.17 c1ccc(c(c1)OCC#N)Cl A11346 [0,1,0,0,0,0|0,0,2]=3 190 B11R1.17 c1ccc(c(c1)OCCN)Cl H50704 [0,1,0,0,0,0|0,0,0]=1 191 B11R1.17 c1ccc(c(c1)OCCN)F H50835 [0,1,0,0,0,0|0,1,0]=2 192 B11R1.17 c1ccc(c(c1)OCCO)Cl L04368 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.41 CCOc1ccccc1C#N H28012 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.41 CCOc1ccccc1C=O A15035 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.41 CCOc1ccccc1CO A15477 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.41 CNCc1ccccc1OC H63339 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.41 COc1ccccc1CC#N B24400 [0,1,0,0,0,0|1,0,2]=4 198 B11R1.41 c1ccc(c(c1)CC#N)C#N L12419 [0,1,0,0,0,0|1,0,2]=4 199 B11R1.41 c1ccc(c(c1)CCl)N=C=O L15995 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.81 CNCc1ccc(cc1Cl)Cl H63409 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.81 Cc1cc(ccc1CC#N)F H32892 [0,1,0,0,0,0|1,0,2]=4 202 B11R1.81 c1cc(c(cc1Br)Cl)N=C=S L10218 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N A12873 [0,1,0,0,0,0|0,0,2]=3 204 B11R1.81 c1cc(c(cc1Cl)Cl)CCO H64345 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.81 c1cc(c(cc1Cl)Cl)N=C=O L11089 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.81 c1cc(c(cc1Cl)Cl)N=C=S B20178 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.81 c1cc(c(cc1Cl)F)CC#N H32697 [0,1,0,0,0,0|0,1,2]=4 208 B11R1.81 c1cc(c(cc1F)Cl)CC#N B23132 [0,1,0,0,0,0|0,0,2]=3 209 B11R1.81 c1cc(c(cc1F)F)CC#N B20525 [0,1,0,0,0,0|0,1,2]=4 210 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,1,0,0,0,0|1,1,1]=4 212 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.86 CC(C)Oc1ccccc1Br B25688 [0,1,0,0,0,0|2,1,0]=4 214 B11R1.86 CC(C)Oc1ccccc1O L07360 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.86 CC(Cc1ccccc1F)N H50999 [0,1,0,0,0,0|0,1,0]=2 216 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.86 Cc1ccccc1CC(=S)N H33111 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.86 Cc1ccccc1NC(=S)N B22350 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,1,0,0,0,0|1,1,1]=4 222 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,1,0,0,0,0|1,1,1]=4 224 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,1,0,0,0,0|1,1,1]=4 225 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [0,1,0,0,0,0|0,0,1]=2 227 B11R1.86 c1ccc(c(c1)N)OC(F)F B20255 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,1,0,0,0,0|1,1,1]=4 229 B11R1.86 c1ccc(c(c1)NC(=S)N)Br L10098 [0,1,0,0,0,0|1,1,1]=4 230 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl L05711 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.86 c1ccc(c(c1)NC(=S)N)F B20883 [0,1,0,0,0,0|1,1,1]=4 232 B11R1.86 c1ccc(c(c1)NC(=S)N)O L10519 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.86 c1ccc(c(c1)OC(F)F)Br B23174 [0,1,0,0,0,0|2,1,0]=4 234 B11R1.182 CCNc1cc(ccc1C)O L12768 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.182 CCOc1cc(ccc1Br)N B24827 [0,1,0,0,0,0|2,1,0]=4 236 B11R1.182 CCOc1cc(ccc1O)C L08898 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.182 Cc1ccc(c(c1)CC#N)C L01942 [0,1,0,0,0,0|1,0,2]=4 238 B11R1.182 c1cc(c(cc1Br)CC#N)F H62213 [0,1,0,0,0,0|0,1,2]=4 239 B11R1.182 c1cc(c(cc1Cl)N=C=O)Cl L09735 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.182 c1cc(c(cc1F)CC#N)F B20246 [0,1,0,0,0,0|0,1,2]=4 241 B11R1.182 c1cc(c(cc1F)CCO)F H32082 [0,1,0,0,0,0|1,1,0]=3 242 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,1,0,0,0,0|1,1,1]=4 243 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.222 CCC(C)c1ccccc1O A18461 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.222 CCC(c1ccccc1F)O H31929 [0,1,0,0,0,0|1,1,0]=3 246 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.222 Cc1ccccc1C(=O)NN L00668 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,1,0,0,0,0|1,1,1]=4 252 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [0,1,0,0,0,0|1,1,1]=4 254 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [0,1,0,0,0,0|1,1,1]=4 256 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [0,1,0,0,0,0|0,1,0]=2 259 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.605 CCCc1c(cccc1O)O H27024 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.605 COCc1c(cccc1Cl)Cl B25359 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.605 Cc1cccc(c1N=C=O)Cl L11645 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.605 c1cc(c(c(c1)Br)CC#N)F H52341 [0,1,0,0,0,0|0,1,2]=4 264 B11R1.605 c1cc(c(c(c1)Cl)CC#N)Cl A19983 [0,1,0,0,0,0|0,0,2]=3 265 B11R1.605 c1cc(c(c(c1)Cl)CC#N)F A11023 [0,1,0,0,0,0|0,0,2]=3 266 B11R1.605 c1cc(c(c(c1)Cl)N=C=O)Cl L10421 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.605 c1cc(c(c(c1)Cl)N=C=S)Cl L12672 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.605 c1cc(c(c(c1)Cl)\C=N\O)Cl A11351 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.605 c1cc(c(c(c1)Cl)\C=N\O)F L14719 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.605 c1cc(c(c(c1)F)CC#N)F A19987 [0,1,0,0,0,0|0,1,2]=4 271 B11R2.10 CC1=Cc2ccccc2C1 H26875 [0,0,0,1,0,0|2,0,1]=4 272 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [0,0,0,1,0,0|2,0,1]=4 273 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [0,0,0,1,0,0|2,0,1]=4 275 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [0,0,0,1,0,0|2,0,1]=4 276 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [0,0,0,1,0,0|1,0,0]=2 277 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [0,0,0,1,0,0|1,0,0]=2 278 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [0,0,0,1,0,0|2,0,0]=3 279 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [0,0,0,1,0,0|2,0,1]=4 280 B11R2.10 c1ccc2c(c1)nc(s2)N A13521 [0,0,0,1,0,0|2,0,1]=4 281 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [0,0,0,1,0,0|2,0,0]=3 282 B11R2.20 c1ccc2c(c1)CCCC2 A14962 [0,0,0,1,0,0|2,0,0]=3 283 B11R2.20 c1ccc2c(c1)CCCN2 B22750 [0,0,0,1,0,0|2,0,0]=3 284 B11R2.20 c1ccc2c(c1)CCNC2 L08143 [0,0,0,1,0,0|1,0,0]=2 285 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.20 c1ccc2c(c1)NCCN2 H55473 [0,0,0,1,0,0|3,0,0]=4 287 B11R2.20 c1ccc2c(c1)NCCO2 H33641 [0,0,0,1,0,0|3,0,0]=4 288 B11R2.20 c1ccc2c(c1)NCCS2 H61045 [0,0,0,1,0,0|3,0,0]=4 289 B11R2.20 c1ccc2c(c1)OCCO2 A17558 [0,0,0,1,0,0|3,0,0]=4 290 B11R2.106 Cc1cccc2c1cn[nH]2 H37039 [0,0,0,1,0,0|2,0,1]=4 291 B11R2.106 c1c[nH]c2c1c(ccn2)Cl H56734 [0,0,0,1,0,0|1,0,2]=4 292 B11R2.106 c1cc(c2cc[nH]c2c1)N L17792 [0,0,0,1,0,0|1,0,2]=4 293 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 H25843 [0,0,0,1,0,0|3,0,0]=4 294 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br L19417 [0,0,0,1,0,0|0,1,2]=4 295 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl H66153 [0,0,0,1,0,0|0,0,2]=3 296 B11R2.106 c1cc2c(cc[nH]2)c(c1)F H56011 [0,0,0,1,0,0|0,1,2]=4 297 B11R2.106 c1cc2c(cc[nH]2)c(c1)O L14352 [0,0,0,1,0,0|1,0,2]=4 298 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br H64527 [0,0,0,1,0,0|1,1,1]=4 299 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl H37416 [0,0,0,1,0,0|1,0,1]=3 300 B11R2.106 c1cc2cc[nH]c2c(c1)Cl L17637 [0,0,0,1,0,0|2,0,1]=4 301 B11R2.106 c1cnc2c(c1Cl)cn[nH]2 H66767 [0,0,0,1,0,0|2,0,1]=4 302 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 303 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,2]=4 304 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,2]=4 305 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,0]=3 306 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,0]=2 307 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,0]=3 319 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 322 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|0,0,2]=4 326 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|0,0,2]=4 327 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|0,0,2]=4 328 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|1,0,1]=4 329 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|1,0,1]=4 330 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|1,0,1]=4 331 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,0]=3 332 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|0,0,0]=2 334 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|0,0,0]=2 335 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|0,0,0]=2 336 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 c1cnccc1CCl A12859 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.2 c1cncnc1CN H32582 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.5 BN1=C(C=CC=C1)C H66642 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.5 C[n+]1ccccc1Cl A12820 [2,0,0,0,0,0|1,0,0]=3 359 B8R1.5 Cc1c(cccn1)Br H27271 [2,0,0,0,0,0|1,1,0]=4 360 B8R1.5 Cc1c(cccn1)F H64705 [2,0,0,0,0,0|1,1,0]=4 361 B8R1.5 Cc1c(cccn1)N H27540 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.5 Cc1c(cccn1)O B24944 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.5 Cc1c(nccn1)Cl H61651 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.5 Cc1ccc[nH]c1=O A12700 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.5 Cc1cccc[n+]1[O-] L04488 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.5 Cc1ccccc1Br A12315 [2,0,0,0,0,0|0,1,0]=3 367 B8R1.5 Cc1ccccc1C 22902 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.5 Cc1ccccc1C 32471 [2,0,0,0,0,0|1,0,0]=3 369 B8R1.5 Cc1ccccc1C A11358 [2,0,0,0,0,0|1,0,0]=3 370 B8R1.5 Cc1ccccc1Cl B23596 [2,0,0,0,0,0|0,0,0]=2 371 B8R1.5 Cc1ccccc1F A16912 [2,0,0,0,0,0|0,1,0]=3 372 B8R1.5 Cc1ccccc1I B22697 [2,0,0,0,0,0|0,1,0]=3 373 B8R1.5 Cc1ccccc1N A13602 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.5 Cc1ccccc1O A12307 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.5 Cc1ccccc1S B22460 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.5 Cc1ccccc1[O-] 89454 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.5 Cc1ccccc1[Zn+] H58749 [2,0,0,0,0,0|1,0,0]=3 378 B8R1.5 Cc1cccnc1Br L19522 [2,0,0,0,0,0|1,1,0]=4 379 B8R1.5 Cc1cccnc1C L03697 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.5 Cc1cccnc1Cl L19861 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.5 Cc1cccnc1F L10701 [2,0,0,0,0,0|1,1,0]=4 382 B8R1.5 Cc1cccnc1I L20047 [2,0,0,0,0,0|1,1,0]=4 383 B8R1.5 Cc1cccnc1N A10224 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.5 Cc1ccncc1Br L19622 [2,0,0,0,0,0|1,1,0]=4 385 B8R1.5 Cc1ccncc1C L03489 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.5 Cc1ccncc1Cl H61626 [2,0,0,0,0,0|1,0,0]=3 387 B8R1.5 Cc1ccncc1F H64747 [2,0,0,0,0,0|1,1,0]=4 388 B8R1.5 Cc1ccncc1N L19730 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.5 Cc1cnccc1Cl L19558 [2,0,0,0,0,0|1,0,0]=3 390 B8R1.5 Cc1cnccc1O H32265 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.5 Cn1ccccc1=O B24244 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.5 c1c(c(ncn1)Cl)N H66671 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.5 c1cc(c(nc1)Br)Cl L20012 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.5 c1cc(c(nc1)Br)N L19839 [2,0,0,0,0,0|1,1,0]=4 395 B8R1.5 c1cc(c(nc1)Cl)Br B25206 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.5 c1cc(c(nc1)Cl)Cl A12241 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.5 c1cc(c(nc1)Cl)F L20022 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.5 c1cc(c(nc1)Cl)I L20028 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.5 c1cc(c(nc1)Cl)N A15830 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.5 c1cc(c(nc1)Cl)O A11376 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.5 c1cc(c(nc1)F)Cl H27755 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.5 c1cc(c(nc1)N)Br L20006 [2,0,0,0,0,0|1,1,0]=4 403 B8R1.5 c1cc(c(nc1)N)Cl H30166 [2,0,0,0,0,0|1,0,0]=3 404 B8R1.5 c1cc(c(nc1)N)F H31970 [2,0,0,0,0,0|1,1,0]=4 405 B8R1.5 c1cc(c(nc1)N)I H50001 [2,0,0,0,0,0|1,1,0]=4 406 B8R1.5 c1cc(c(nc1)N)N A14618 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.5 c1cc(c(nc1)N)O A10665 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.5 c1cc(c(nc1)O)Cl L20027 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.5 c1cc(c(nc1)O)N H64480 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.5 c1cc[n+](c(c1)Cl)[O-] H27280 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.5 c1cc[n+](c(c1)Cl)[O-] L20033 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.5 c1ccc(c(c1)Br)Br A14765 [2,0,0,0,0,0|1,1,0]=4 413 B8R1.5 c1ccc(c(c1)Br)I A17020 [2,0,0,0,0,0|1,1,0]=4 414 B8R1.5 c1ccc(c(c1)Cl)Br A11782 [2,0,0,0,0,0|1,0,0]=3 415 B8R1.5 c1ccc(c(c1)Cl)Cl 19385 [2,0,0,0,0,0|1,0,0]=3 416 B8R1.5 c1ccc(c(c1)Cl)Cl 32154 [2,0,0,0,0,0|1,0,0]=3 417 B8R1.5 c1ccc(c(c1)Cl)Cl A13881 [2,0,0,0,0,0|1,0,0]=3 418 B8R1.5 c1ccc(c(c1)Cl)I A18255 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.5 c1ccc(c(c1)Cl)[Zn+] H58383 [2,0,0,0,0,0|1,0,0]=3 420 B8R1.5 c1ccc(c(c1)F)Br A10635 [2,0,0,0,0,0|1,1,0]=4 421 B8R1.5 c1ccc(c(c1)F)Cl B21209 [2,0,0,0,0,0|1,0,0]=3 422 B8R1.5 c1ccc(c(c1)F)F A10377 [2,0,0,0,0,0|1,1,0]=4 423 B8R1.5 c1ccc(c(c1)F)I A12411 [2,0,0,0,0,0|1,1,0]=4 424 B8R1.5 c1ccc(c(c1)F)S B24995 [2,0,0,0,0,0|1,1,0]=4 425 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [2,0,0,0,0,0|1,1,0]=4 426 B8R1.5 c1ccc(c(c1)I)I B24425 [2,0,0,0,0,0|1,1,0]=4 427 B8R1.5 c1ccc(c(c1)N)Br A11788 [2,0,0,0,0,0|0,1,0]=3 428 B8R1.5 c1ccc(c(c1)N)Cl A15758 [2,0,0,0,0,0|0,0,0]=2 429 B8R1.5 c1ccc(c(c1)N)Cl L13483 [2,0,0,0,0,0|0,0,0]=2 430 B8R1.5 c1ccc(c(c1)N)F A12612 [2,0,0,0,0,0|0,1,0]=3 431 B8R1.5 c1ccc(c(c1)N)I A13059 [2,0,0,0,0,0|0,1,0]=3 432 B8R1.5 c1ccc(c(c1)N)N A11946 [2,0,0,0,0,0|1,0,0]=3 433 B8R1.5 c1ccc(c(c1)N)N J60354 [2,0,0,0,0,0|1,0,0]=3 434 B8R1.5 c1ccc(c(c1)N)O A13735 [2,0,0,0,0,0|1,0,0]=3 435 B8R1.5 c1ccc(c(c1)N)S A18952 [2,0,0,0,0,0|1,0,0]=3 436 B8R1.5 c1ccc(c(c1)O)Br A14112 [2,0,0,0,0,0|1,1,0]=4 437 B8R1.5 c1ccc(c(c1)O)Cl A10311 [2,0,0,0,0,0|1,0,0]=3 438 B8R1.5 c1ccc(c(c1)O)F A14979 [2,0,0,0,0,0|1,1,0]=4 439 B8R1.5 c1ccc(c(c1)O)I A13599 [2,0,0,0,0,0|1,1,0]=4 440 B8R1.5 c1ccc(c(c1)O)O A10164 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.5 c1ccc(c(c1)O)S L12519 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.5 c1ccc(c(c1)S)Br B25537 [2,0,0,0,0,0|1,1,0]=4 443 B8R1.5 c1ccc(c(c1)S)Cl A12014 [2,0,0,0,0,0|1,0,0]=3 444 B8R1.5 c1ccc(c(c1)S)S L11253 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.5 c1cnc(c(n1)N)Cl H27215 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.5 c1cncc(c1Cl)Cl H63749 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.5 c1cncc(c1Cl)F H27184 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.5 c1cncc(c1Cl)N L19726 [2,0,0,0,0,0|1,0,0]=3 449 B8R1.5 c1cncc(c1I)Cl H63866 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.5 c1cncc(c1I)N H50023 [2,0,0,0,0,0|1,1,0]=4 451 B8R1.5 c1cncc(c1N)Br L19521 [2,0,0,0,0,0|1,1,0]=4 452 B8R1.5 c1cncc(c1N)Cl H31093 [2,0,0,0,0,0|1,0,0]=3 453 B8R1.5 c1cncc(c1N)F H32949 [2,0,0,0,0,0|1,1,0]=4 454 B8R1.5 c1cncc(c1N)I H50027 [2,0,0,0,0,0|1,1,0]=4 455 B8R1.5 c1cncc(c1N)N A12465 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.5 c1cncc(c1N)O H35280 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.5 c1cncc(c1O)Cl H64783 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.5 c1cncc(c1O)N H27205 [2,0,0,0,0,0|2,0,0]=4 459 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.1 CCOc1ccc(cc1)I B21644 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.1 CCOc1ccc(cc1)N A10416 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.1 CCOc1ccc(cc1)O B20584 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.1 Cc1ccc(cc1)CC#N A12169 [1,1,0,0,0,0|0,0,2]=4 473 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.1 c1cc(ccc1CC#N)Br A10887 [1,1,0,0,0,0|0,0,2]=4 475 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [1,1,0,0,0,0|0,0,2]=4 476 B10R1.1 c1cc(ccc1CC#N)F A14290 [1,1,0,0,0,0|0,0,2]=4 477 B10R1.1 c1cc(ccc1CC#N)I L15119 [1,1,0,0,0,0|0,0,2]=4 478 B10R1.1 c1cc(ccc1CC#N)N A11304 [1,1,0,0,0,0|0,0,2]=4 479 B10R1.1 c1cc(ccc1CC#N)O A10971 [1,1,0,0,0,0|0,0,2]=4 480 B10R1.1 c1cc(ccc1CCCl)F L16719 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.1 c1cc(ccc1CCN)Br H63706 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.1 c1cc(ccc1CCN)Cl H63081 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.1 c1cc(ccc1CCN)F H61791 [1,1,0,0,0,0|0,0,0]=2 484 B10R1.1 c1cc(ccc1CCN)N L15782 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.1 c1cc(ccc1CCN)O A12220 [1,1,0,0,0,0|0,0,0]=2 486 B10R1.1 c1cc(ccc1CCO)Br A14143 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.1 c1cc(ccc1CCO)F L05618 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.1 c1cc(ccc1CCO)N L15223 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.1 c1cc(ccc1CCO)O A14891 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.10 CCCc1cccc(c1)O B21266 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.10 CCOc1cccc(c1)Br B21418 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.10 CCOc1cccc(c1)O B24266 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.10 CNCc1cccc(c1)Br H54294 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.10 CNCc1cccc(c1)F H56177 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.10 Cc1cccc(c1)CC#N A10558 [1,1,0,0,0,0|0,0,2]=4 497 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [1,1,0,0,0,0|0,0,2]=4 499 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [1,1,0,0,0,0|0,0,2]=4 500 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [1,1,0,0,0,0|0,0,2]=4 501 B10R1.10 c1cc(cc(c1)F)CCN H64762 [1,1,0,0,0,0|0,0,0]=2 502 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [1,1,0,0,0,0|0,0,2]=4 503 B10R1.15 C#CC(c1ccccc1)O L09549 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,1,0,0,0,0|0,0,2]=4 505 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.15 CC(CN)c1ccccc1 H36338 [1,1,0,0,0,0|0,0,0]=2 508 B10R1.15 CC(CO)c1ccccc1 B23473 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.15 CCC(C)c1ccccc1 B22962 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.15 CCC(c1ccccc1)O A10830 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|0,0,1]=3 521 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,1,0,0,0,0|0,0,2]=4 524 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|0,0,0]=2 527 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [1,1,0,0,0,0|0,0,2]=4 529 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|0,0,0]=2 530 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,1,0,0,0,0|0,0,2]=4 533 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|0,0,0]=2 534 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.17 C#CCCc1ccccc1 L12946 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.17 C#CCOc1ccccc1 43923 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.17 C#CCOc1ccccc1 A18272 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.17 C=CCNc1ccccc1 H55821 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.17 C=CCOc1ccccc1 L03359 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.17 C=CCSc1ccccc1 L04771 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.17 CCC#Cc1ccccc1 A11332 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.17 CCCC[n+]1ccccc1 19740 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.17 CCCCc1ccccc1 A10910 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.17 CCNCc1ccccc1 L05651 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.17 CCNCc1cccnc1 H51120 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.17 CCNCc1ccncc1 L13714 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.17 CNCCc1ccccn1 H50190 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.17 c1ccc(cc1)C#CCCl H53510 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,1,0,0,0,0|0,0,1]=3 554 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.17 c1ccc(cc1)CCCI H53420 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.17 c1ccc(cc1)CCCN L03023 [1,1,0,0,0,0|0,0,0]=2 559 B10R1.17 c1ccc(cc1)CCCO A13022 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.17 c1ccc(cc1)COC=O L13405 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.17 c1ccc(cc1)COCCl H60207 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,1,0,0,0,0|0,0,2]=4 568 B10R1.17 c1ccc(cc1)NCCN L03786 [1,1,0,0,0,0|0,0,0]=2 569 B10R1.17 c1ccc(cc1)NCCO B22131 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,1,0,0,0,0|0,0,2]=4 571 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.17 c1ccc(cc1)OCCN A12225 [1,1,0,0,0,0|0,0,0]=2 574 B10R1.17 c1ccc(cc1)OCCO A10786 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,1,0,0,0,0|0,0,2]=4 576 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.17 c1ccc(cc1)SCCO A10861 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.18 CC(C)Cc1ccccn1 B22349 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.18 CC(C)Cc1cccnc1 B22080 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,1,0,0,0,0|1,1,0]=4 589 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [1,1,0,0,0,0|1,0,1]=4 591 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,1,0,0,0,0|0,0,1]=3 593 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,1,0,0,0,0|0,0,1]=3 595 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.18 c1cnccc1CC(=O)N B24734 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.2 CCc1cccc(c1I)C A10839 [1,1,0,0,0,0|0,1,0]=3 602 B10R1.2 CCc1cccc(c1N)C A12796 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.2 CCc1cccc(c1O)C B25213 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.2 COc1cccc(c1Cl)Cl A12257 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.2 COc1cccc(c1F)Cl H26560 [1,1,0,0,0,0|1,1,0]=4 606 B10R1.2 COc1cccc(c1F)F B22916 [1,1,0,0,0,0|1,1,0]=4 607 B10R1.2 COc1cccc(c1N)N H35286 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.2 COc1cccc(c1O)Br B25535 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.2 COc1cccc(c1O)F H26471 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.2 COc1cccc(c1O)O B20006 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.2 Cc1c(cccc1Cl)OC B22203 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.2 Cc1c(cccc1F)CBr H26784 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.2 Cc1c(cccc1F)CN H26237 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.2 Cc1cccc(c1C)NN A16526 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.2 Cc1cccc(c1C)OC A19992 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.2 Cc1cccc(c1F)CBr B20538 [1,1,0,0,0,0|1,1,0]=4 617 B10R1.2 c1cc(c(c(c1)Br)F)CBr H32228 [1,1,0,0,0,0|1,1,0]=4 618 B10R1.2 c1cc(c(c(c1)Br)F)CO H64371 [1,1,0,0,0,0|1,1,0]=4 619 B10R1.2 c1cc(c(c(c1)Cl)Cl)C#N A14809 [1,1,0,0,0,0|0,0,2]=4 620 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O A10118 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN L11884 [1,1,0,0,0,0|0,0,0]=2 622 B10R1.2 c1cc(c(c(c1)Cl)Cl)C[Mg+] H54858 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN A10717 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.2 c1cc(c(c(c1)Cl)F)CBr A13114 [1,1,0,0,0,0|1,1,0]=4 625 B10R1.2 c1cc(c(c(c1)Cl)F)CN L19227 [1,1,0,0,0,0|0,1,0]=3 626 B10R1.2 c1cc(c(c(c1)Cl)F)C[Mg+] H54639 [1,1,0,0,0,0|1,1,0]=4 627 B10R1.2 c1cc(c(c(c1)F)Br)CBr H63632 [1,1,0,0,0,0|1,1,0]=4 628 B10R1.2 c1cc(c(c(c1)F)Cl)C#N H33130 [1,1,0,0,0,0|0,0,2]=4 629 B10R1.2 c1cc(c(c(c1)F)Cl)C=O H34238 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.2 c1cc(c(c(c1)F)F)CBr B20214 [1,1,0,0,0,0|1,1,0]=4 631 B10R1.2 c1cc(c(c(c1)F)F)CN B20420 [1,1,0,0,0,0|0,1,0]=3 632 B10R1.2 c1cc(c(c(c1)F)F)CO B20980 [1,1,0,0,0,0|1,1,0]=4 633 B10R1.2 c1cc(c(c(c1)F)F)C[Mg+] H54671 [1,1,0,0,0,0|1,1,0]=4 634 B10R1.20 CCc1ccccc1CC A19548 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.20 CCc1ccccc1CC L18775 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.20 CCc1ccccc1NN A16853 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.20 COc1ccccc1C#N L01293 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.20 COc1ccccc1C=O A10770 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.20 COc1ccccc1CN L02273 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.20 COc1ccccc1CO A14016 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.20 COc1ccccc1C[Mg+] H54177 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.20 COc1ccccc1OC A11985 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.20 CSc1ccccc1C#N L06870 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.20 c1ccc(c(c1)CBr)C#N B24278 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.20 c1ccc(c(c1)CBr)CBr A17241 [1,1,0,0,0,0|1,1,0]=4 646 B10R1.20 c1ccc(c(c1)CCl)CCl A12500 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.20 c1ccc(c(c1)CO)CO B23008 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.25 CCc1ccc(cc1O)O B21575 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.25 CCc1ccc(nc1N)C A19048 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.25 CNc1ccc(cc1F)F A15778 [1,1,0,0,0,0|1,1,0]=4 651 B10R1.25 COc1c(cc(cn1)Br)Cl H54522 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.25 COc1ccc(cc1Br)Br A16200 [1,1,0,0,0,0|1,1,0]=4 653 B10R1.25 COc1ccc(cc1Br)F A11040 [1,1,0,0,0,0|1,1,0]=4 654 B10R1.25 COc1ccc(cc1Cl)Cl B20042 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.25 COc1ccc(cc1Cl)F B25136 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.25 COc1ccc(cc1F)Br A10948 [1,1,0,0,0,0|1,1,0]=4 657 B10R1.25 COc1ccc(cc1F)F B21509 [1,1,0,0,0,0|1,1,0]=4 658 B10R1.25 COc1ccc(cc1F)N A18606 [1,1,0,0,0,0|1,1,0]=4 659 B10R1.25 COc1ccc(cc1F)[Mg+] H54027 [1,1,0,0,0,0|1,1,0]=4 660 B10R1.25 COc1ccc(cc1I)Cl A13840 [1,1,0,0,0,0|1,1,0]=4 661 B10R1.25 COc1ccc(cc1N)Br B25693 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 COc1ccc(cc1N)Cl A12887 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.25 COc1ccc(cc1N)Cl A14244 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 COc1ccc(cc1N)F H32525 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.25 COc1ccc(cc1N)I B25557 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 COc1ccc(cc1O)N L10234 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 COc1ccc(cc1[Mg+])Cl H54501 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 COc1ccc(cc1[Mg+])F H54083 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 COc1ccc(cc1[Zn+])Cl H58435 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.25 Cc1cc(ccc1CBr)F H26849 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 Cc1cc(ccc1CN)F H26624 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 Cc1cc(ccc1CO)F H32364 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.25 Cc1cc(ccc1OC)Br B21621 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 Cc1cc(ccc1OC)F A16031 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.25 Cc1cc(ccc1SC)O L07353 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.25 Cc1ccc(c(c1)C)CCl L02810 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.25 Cc1ccc(c(c1)C)NN B21009 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.25 Cc1ccc(c(c1)F)CBr H26440 [1,1,0,0,0,0|1,1,0]=4 682 B10R1.25 Cc1ccc(c(c1)F)CN H26267 [1,1,0,0,0,0|0,1,0]=3 683 B10R1.25 Cc1ccc(c(c1)F)OC H26194 [1,1,0,0,0,0|1,1,0]=4 684 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.25 c1cc(c(cc1Br)Br)CO H64741 [1,1,0,0,0,0|1,1,0]=4 686 B10R1.25 c1cc(c(cc1Br)Cl)C#N L10602 [1,1,0,0,0,0|0,0,2]=4 687 B10R1.25 c1cc(c(cc1Br)Cl)C=O H27418 [1,1,0,0,0,0|1,0,1]=4 688 B10R1.25 c1cc(c(cc1Br)F)CBr B21331 [1,1,0,0,0,0|1,1,0]=4 689 B10R1.25 c1cc(c(cc1Br)F)CCl L18680 [1,1,0,0,0,0|1,1,0]=4 690 B10R1.25 c1cc(c(cc1Br)F)CN A15654 [1,1,0,0,0,0|0,1,0]=3 691 B10R1.25 c1cc(c(cc1Br)F)CO L18679 [1,1,0,0,0,0|1,1,0]=4 692 B10R1.25 c1cc(c(cc1Br)F)C[Mg+] H54540 [1,1,0,0,0,0|1,1,0]=4 693 B10R1.25 c1cc(c(cc1Br)F)C[Zn+] H58746 [1,1,0,0,0,0|1,1,0]=4 694 B10R1.25 c1cc(c(cc1Cl)Cl)C#N A10113 [1,1,0,0,0,0|0,0,2]=4 695 B10R1.25 c1cc(c(cc1Cl)Cl)C=O A12525 [1,1,0,0,0,0|1,0,1]=4 696 B10R1.25 c1cc(c(cc1Cl)Cl)CCl A11435 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.25 c1cc(c(cc1Cl)Cl)CN A13207 [1,1,0,0,0,0|0,0,0]=2 698 B10R1.25 c1cc(c(cc1Cl)Cl)CO A13338 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.25 c1cc(c(cc1Cl)Cl)CS B24999 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.25 c1cc(c(cc1Cl)Cl)C[Mg+] H54159 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.25 c1cc(c(cc1Cl)Cl)NN A10943 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.25 c1cc(c(cc1Cl)F)CBr H26814 [1,1,0,0,0,0|1,1,0]=4 703 B10R1.25 c1cc(c(cc1Cl)F)CN H26352 [1,1,0,0,0,0|0,1,0]=3 704 B10R1.25 c1cc(c(cc1Cl)F)CN L13488 [1,1,0,0,0,0|0,1,0]=3 705 B10R1.25 c1cc(c(cc1Cl)F)C[Mg+] H54480 [1,1,0,0,0,0|1,1,0]=4 706 B10R1.25 c1cc(c(cc1F)Br)CBr H62157 [1,1,0,0,0,0|1,1,0]=4 707 B10R1.25 c1cc(c(cc1F)Br)CN H62200 [1,1,0,0,0,0|0,1,0]=3 708 B10R1.25 c1cc(c(cc1F)Br)CO H61850 [1,1,0,0,0,0|1,1,0]=4 709 B10R1.25 c1cc(c(cc1F)Cl)C#N A15478 [1,1,0,0,0,0|0,0,2]=4 710 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.25 c1cc(c(cc1F)Cl)CBr B23565 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.25 c1cc(c(cc1F)Cl)CCl L13850 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.25 c1cc(c(cc1F)Cl)CN L12957 [1,1,0,0,0,0|0,0,0]=2 714 B10R1.25 c1cc(c(cc1F)Cl)C[Mg+] H54799 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.25 c1cc(c(cc1F)F)CBr A15213 [1,1,0,0,0,0|1,1,0]=4 716 B10R1.25 c1cc(c(cc1F)F)CCl H26783 [1,1,0,0,0,0|1,1,0]=4 717 B10R1.25 c1cc(c(cc1F)F)CN B20985 [1,1,0,0,0,0|0,1,0]=3 718 B10R1.25 c1cc(c(cc1F)F)CO A19945 [1,1,0,0,0,0|1,1,0]=4 719 B10R1.25 c1cc(c(cc1F)F)C[Mg+] H54966 [1,1,0,0,0,0|1,1,0]=4 720 B10R1.25 c1cc(c(cc1F)F)C[Zn+] H58036 [1,1,0,0,0,0|1,1,0]=4 721 B10R1.25 c1cc(c(cc1F)F)NN A11625 [1,1,0,0,0,0|1,1,0]=4 722 B10R1.25 c1cc(c(cc1N)Cl)C#N L15924 [1,1,0,0,0,0|0,0,2]=4 723 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.25 c1cc(nc(c1CO)Cl)Cl H33971 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.30 CCc1cc(ccc1Br)Br B25446 [1,1,0,0,0,0|0,1,0]=3 726 B10R1.30 CCc1cc(ccc1Cl)Br B25613 [1,1,0,0,0,0|0,0,0]=2 727 B10R1.30 CCc1cc(ccc1I)Br B20052 [1,1,0,0,0,0|0,1,0]=3 728 B10R1.30 CCc1cc(ccc1N)Br A13077 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.30 CCc1cc(ccc1N)Br L12725 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.30 COc1cc(ccc1Br)Cl B25512 [1,1,0,0,0,0|1,1,0]=4 731 B10R1.30 COc1cc(ccc1Br)F H26325 [1,1,0,0,0,0|1,1,0]=4 732 B10R1.30 COc1cc(ccc1Br)N B25541 [1,1,0,0,0,0|1,1,0]=4 733 B10R1.30 COc1cc(ccc1Br)O H28116 [1,1,0,0,0,0|1,1,0]=4 734 B10R1.30 COc1cc(ccc1Cl)Br H55533 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.30 COc1cc(ccc1Cl)Cl L13497 [1,1,0,0,0,0|1,0,0]=3 736 B10R1.30 COc1cc(ccc1Cl)N H28331 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.30 COc1cc(ccc1F)Br H61892 [1,1,0,0,0,0|1,1,0]=4 738 B10R1.30 COc1cc(ccc1F)F A14255 [1,1,0,0,0,0|1,1,0]=4 739 B10R1.30 COc1cc(ccc1N)Br H61454 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.30 COc1cc(ccc1N)F H61965 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.30 COc1cc(ccc1O)Br L08801 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.30 COc1cc(ccc1O)Cl A14806 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.30 COc1cc(ccc1O)F B22211 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.30 COc1cc(ccc1O)O A12847 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.30 COc1cc(cnc1Cl)N H64033 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.30 Cc1ccc(c(c1)CBr)F H26871 [1,1,0,0,0,0|1,1,0]=4 747 B10R1.30 Cc1ccc(c(c1)CCl)C L01303 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.30 Cc1ccc(c(c1)CN)F H26652 [1,1,0,0,0,0|0,1,0]=3 749 B10R1.30 Cc1ccc(c(c1)CO)C L01624 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.30 Cc1ccc(c(c1)NN)C L12496 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [1,1,0,0,0,0|1,1,0]=4 753 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.30 Cc1ccc(cc1CBr)F H26853 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.30 Cc1ccc(cc1CCl)F H32355 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.30 Cc1ccc(cc1CN)F H26613 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.30 Cc1ccc(cc1CO)F H32648 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.30 Cc1ccc(cc1NN)F L09362 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.30 Cc1ccc(cc1OC)Br H30391 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.30 Cc1ccc(cc1OC)F B25629 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.30 Cc1ccc(cc1OC)N H50362 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.30 c1cc(c(cc1Br)C=O)Cl H64438 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.30 c1cc(c(cc1Br)CN)F B25176 [1,1,0,0,0,0|0,1,0]=3 764 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.30 c1cc(c(cc1Cl)C#N)Cl A14141 [1,1,0,0,0,0|0,0,2]=4 766 B10R1.30 c1cc(c(cc1Cl)C=O)Cl A13525 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.30 c1cc(c(cc1Cl)CBr)Cl L13775 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.30 c1cc(c(cc1Cl)CBr)F L19147 [1,1,0,0,0,0|1,1,0]=4 769 B10R1.30 c1cc(c(cc1Cl)CCl)Cl L07506 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.30 c1cc(c(cc1Cl)CN)Cl L11972 [1,1,0,0,0,0|0,0,0]=2 771 B10R1.30 c1cc(c(cc1Cl)CN)F L19145 [1,1,0,0,0,0|0,1,0]=3 772 B10R1.30 c1cc(c(cc1Cl)CO)Cl L07734 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.30 c1cc(c(cc1Cl)CO)N H30531 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.30 c1cc(c(cc1Cl)C[Mg+])Cl H54707 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.30 c1cc(c(cc1Cl)NN)Cl A15279 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.30 c1cc(c(cc1Cl)NN)Cl L06708 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.30 c1cc(c(cc1F)C#N)Cl H26817 [1,1,0,0,0,0|0,0,2]=4 779 B10R1.30 c1cc(c(cc1F)CBr)Br L09553 [1,1,0,0,0,0|1,1,0]=4 780 B10R1.30 c1cc(c(cc1F)CBr)Cl H61259 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.30 c1cc(c(cc1F)CBr)F B20752 [1,1,0,0,0,0|1,1,0]=4 782 B10R1.30 c1cc(c(cc1F)CCl)F H26735 [1,1,0,0,0,0|1,1,0]=4 783 B10R1.30 c1cc(c(cc1F)CN)Cl H26810 [1,1,0,0,0,0|0,0,0]=2 784 B10R1.30 c1cc(c(cc1F)CN)F A16530 [1,1,0,0,0,0|0,1,0]=3 785 B10R1.30 c1cc(c(cc1F)CO)Br H61596 [1,1,0,0,0,0|1,1,0]=4 786 B10R1.30 c1cc(c(cc1F)CO)Cl B24431 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.30 c1cc(c(cc1F)CO)F A19932 [1,1,0,0,0,0|1,1,0]=4 788 B10R1.30 c1cc(c(cc1F)C[Mg+])F H54749 [1,1,0,0,0,0|1,1,0]=4 789 B10R1.30 c1cc(c(cc1F)C[Zn+])F H58867 [1,1,0,0,0,0|1,1,0]=4 790 B10R1.30 c1cc(c(cc1F)NN)F B21259 [1,1,0,0,0,0|1,1,0]=4 791 B10R1.30 c1cc(c(cc1F)NN)F L10359 [1,1,0,0,0,0|1,1,0]=4 792 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.61 CC(=O)c1ccccc1Br A11982 [1,1,0,0,0,0|0,1,1]=4 794 B10R1.61 CC(=O)c1ccccc1Cl A15232 [1,1,0,0,0,0|0,0,1]=3 795 B10R1.61 CC(=O)c1ccccc1F A15128 [1,1,0,0,0,0|0,1,1]=4 796 B10R1.61 CC(=O)c1ccccc1I B25345 [1,1,0,0,0,0|0,1,1]=4 797 B10R1.61 CC(=O)c1ccccc1N A10895 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.61 CC(=O)c1ccccc1O A12550 [1,1,0,0,0,0|1,0,1]=4 799 B10R1.61 CC(C)c1ccccc1Br L00941 [1,1,0,0,0,0|0,1,0]=3 800 B10R1.61 CC(C)c1ccccc1I L01533 [1,1,0,0,0,0|0,1,0]=3 801 B10R1.61 CC(C)c1ccccc1N A14671 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.61 CC(C)c1ccccc1O A12027 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.61 CC(c1ccccc1Cl)O B24800 [1,1,0,0,0,0|0,0,0]=2 804 B10R1.61 CC(c1ccccc1F)O H31900 [1,1,0,0,0,0|0,1,0]=3 805 B10R1.61 CN(C)c1ccccc1Br B25564 [1,1,0,0,0,0|1,1,0]=4 806 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [1,1,0,0,0,0|0,0,0]=2 807 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [1,1,0,0,0,0|0,1,0]=3 808 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [1,1,0,0,0,0|0,0,0]=2 809 B10R1.61 Cc1ccccc1C(=C)C H26073 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.61 Cc1ccccc1C(=O)C A11695 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.61 Cc1ccccc1C(=S)N H51790 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.61 Cc1ccccc1C(C)O L08065 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.61 c1cc(c(nc1)Cl)C(=S)N H52252 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [1,1,0,0,0,0|1,0,1]=4 816 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [1,1,0,0,0,0|0,1,1]=4 817 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [1,1,0,0,0,0|0,0,1]=3 818 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [1,1,0,0,0,0|0,1,1]=4 819 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [1,1,0,0,0,0|1,0,1]=4 820 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [1,1,0,0,0,0|1,0,1]=4 821 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [1,1,0,0,0,0|1,0,1]=4 822 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [1,1,0,0,0,0|0,1,1]=4 823 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [1,1,0,0,0,0|0,0,1]=3 824 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [1,1,0,0,0,0|1,1,0]=4 826 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [1,1,0,0,0,0|1,1,0]=4 827 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.61 c1cncc(c1C(F)F)Cl H34426 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.245 C=Cc1c(cccc1Cl)Cl L07860 [1,1,0,0,0,0|0,0,2]=4 830 B10R1.245 COc1c(cccc1Cl)Cl B25302 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.245 COc1c(cccc1Cl)F B24294 [1,1,0,0,0,0|1,0,0]=3 832 B10R1.245 COc1c(cccc1F)F B23750 [1,1,0,0,0,0|1,1,0]=4 833 B10R1.245 COc1c(cccc1F)N H32214 [1,1,0,0,0,0|1,1,0]=4 834 B10R1.245 Cc1cccc(c1C#N)Cl L00706 [1,1,0,0,0,0|0,0,2]=4 835 B10R1.245 Cc1cccc(c1C=O)Cl H26023 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.245 Cc1cccc(c1CN)Cl L11249 [1,1,0,0,0,0|0,0,0]=2 837 B10R1.245 Cc1cccc(c1CO)C H61409 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.245 Cc1cccc(c1OC)C B20365 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl H64605 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.245 c1cc(c(c(c1)Br)CN)F H62086 [1,1,0,0,0,0|0,1,0]=3 841 B10R1.245 c1cc(c(c(c1)Br)CO)F H64649 [1,1,0,0,0,0|1,1,0]=4 842 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl A14986 [1,1,0,0,0,0|0,0,2]=4 843 B10R1.245 c1cc(c(c(c1)Cl)C#N)F B21662 [1,1,0,0,0,0|0,0,2]=4 844 B10R1.245 c1cc(c(c(c1)Cl)C#N)N L06883 [1,1,0,0,0,0|0,0,2]=4 845 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl A13295 [1,1,0,0,0,0|1,0,1]=4 846 B10R1.245 c1cc(c(c(c1)Cl)C=O)F A10513 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.245 c1cc(c(c(c1)Cl)CBr)Cl L01710 [1,1,0,0,0,0|1,0,0]=3 848 B10R1.245 c1cc(c(c(c1)Cl)CBr)F B24196 [1,1,0,0,0,0|1,0,0]=3 849 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl A13310 [1,1,0,0,0,0|1,0,0]=3 850 B10R1.245 c1cc(c(c(c1)Cl)CCl)F A11758 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl H29274 [1,1,0,0,0,0|0,0,0]=2 852 B10R1.245 c1cc(c(c(c1)Cl)CN)F L19144 [1,1,0,0,0,0|0,0,0]=2 853 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl A12196 [1,1,0,0,0,0|1,0,0]=3 854 B10R1.245 c1cc(c(c(c1)Cl)CO)F A11978 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.245 c1cc(c(c(c1)Cl)C[Mg+])Cl H54087 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.245 c1cc(c(c(c1)Cl)C[Mg+])F H54643 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.245 c1cc(c(c(c1)Cl)N=O)Cl B22830 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl A11968 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.245 c1cc(c(c(c1)F)CBr)F A17434 [1,1,0,0,0,0|1,1,0]=4 860 B10R1.245 c1cc(c(c(c1)F)CCl)F A19472 [1,1,0,0,0,0|1,1,0]=4 861 B10R1.245 c1cc(c(c(c1)F)CN)F A17169 [1,1,0,0,0,0|0,1,0]=3 862 B10R1.245 c1cc(c(c(c1)F)CO)F A18336 [1,1,0,0,0,0|1,1,0]=4 863 B10R1.245 c1cc(c(c(c1)F)C[Mg+])F H54189 [1,1,0,0,0,0|1,1,0]=4 864 B10R1.245 c1cc(c(c(c1)F)C[Zn+])F H58825 [1,1,0,0,0,0|1,1,0]=4 865 B10R1.245 c1cnc(c(c1I)CO)Cl H50052 [1,1,0,0,0,0|2,0,0]=4 866 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=O)O H32763 [0,2,0,0,0,0|1,0,1]=4 867 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=S)N H34058 [0,2,0,0,0,0|0,0,1]=3 868 B12R1.497 CCOc1c(ccc(c1F)N)Cl H33541 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.497 c1cc(c(c(c1Cl)CC#N)F)Cl H32471 [0,2,0,0,0,0|0,0,2]=4 870 B12R1.497 c1cc(c(c(c1F)F)CC#N)Cl H33296 [0,2,0,0,0,0|0,0,2]=4 871 B12R1.544 c1cc(c(c(c1CCO)F)F)F H32227 [0,2,0,0,0,0|1,1,0]=4 872 B12R1.69 CCCOc1ccc(cc1F)Br H31660 [0,2,0,0,0,0|1,1,0]=4 873 B12R1.69 c1cc(c(cc1Cl)Cl)OCC#N L10869 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.69 c1cc(c(cc1Cl)Cl)OCCBr H52367 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.121 CCCOc1ccccc1C=O H50473 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.121 COc1ccccc1OCCBr H52382 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.121 COc1ccccc1OCCN H50251 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.125 CC(C)NCc1ccccc1F H56639 [0,2,0,0,0,0|1,1,0]=4 879 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,2,0,0,0,0|1,1,0]=4 881 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,2,0,0,0,0|1,1,0]=4 883 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,2,0,0,0,0|0,0,1]=3 885 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,2,0,0,0,0|1,0,1]=4 886 B12R1.267 CCCNCc1ccccc1F H56513 [0,2,0,0,0,0|1,1,0]=4 887 B12R1.267 c1ccc(c(c1)CSCCN)Cl H33983 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,2,0,0,0,0|1,0,1]=4 890 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl A13611 [0,2,0,0,0,0|0,0,2]=4 891 B12R1.371 c1ccc(c(c1)NC(=S)NN)Cl L12249 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.1631 C#CCOc1c(cccc1Cl)Cl L12678 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.75 COc1ccccc1CC(=S)N H31541 [0,2,0,0,0,0|1,0,1]=4 894 B12R1.268 COc1ccc(cc1CCN)Br L19875 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.283 B(c1ccccc1CCBr)(O)O H53185 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.283 CCOc1ccccc1C(=O)Cl L17686 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.114 COc1ccc(c(c1)Cl)CC#N H26021 [0,2,0,0,0,0|0,0,2]=4 898 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O A11791 [0,2,0,0,0,0|1,0,1]=4 899 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=S)N H26672 [0,2,0,0,0,0|0,0,1]=3 900 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=S)N L11314 [0,2,0,0,0,0|1,0,1]=4 901 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O B22872 [0,2,0,0,0,0|1,0,1]=4 902 B12R1.1095 CCOc1c(cc(cc1Cl)N)F H32000 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.1095 CCOc1c(cc(cc1Cl)O)F H32653 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.1095 Cc1cc(c(c(c1)C)CCO)C L08032 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.1123 c1c(c(cc(c1F)F)F)CCO H32686 [0,2,0,0,0,0|1,1,0]=4 906 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl A11252 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr H59615 [0,2,0,0,0,0|1,0,1]=4 908 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl A10835 [0,2,0,0,0,0|1,0,1]=4 909 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN A12803 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl B25518 [0,2,0,0,0,0|1,0,1]=4 911 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl B21525 [0,2,0,0,0,0|1,0,1]=4 912 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl H61152 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl L19586 [0,2,0,0,0,0|1,0,1]=4 914 B12R1.127 c1cc(c(cc1Cl)NC(=S)N)Cl L11984 [0,2,0,0,0,0|1,0,1]=4 915 B12R1.127 c1cc(c(cc1F)CC(=O)O)Cl H26803 [0,2,0,0,0,0|1,0,1]=4 916 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl B21354 [0,2,0,0,0,0|1,0,1]=4 917 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F A10460 [0,2,0,0,0,0|1,0,1]=4 918 B12R1.1009 c1cc(c(c(c1)Cl)CC(=S)N)Cl H26746 [0,2,0,0,0,0|0,0,1]=3 919 B12R1.1009 c1cc(c(c(c1)Cl)NC(=S)N)Cl A18117 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.1009 c1cc(c(c(c1)Cl)OC(F)F)F H33151 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)Cl A14778 [0,2,0,0,0,0|1,0,1]=4 922 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|1,0,0]=3 923 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|1,0,0]=3 924 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,1,0,0|2,0,0]=4 925 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,1,0,0|1,0,0]=3 926 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|1,0,1]=4 927 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|1,0,1]=4 928 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|1,0,0]=3 929 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|0,0,0]=2 930 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,0]=3 931 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|2,0,0]=4 932 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|2,0,0]=4 933 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|2,0,0]=4 934 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 935 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,1,0,0|1,0,1]=4 936 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,1,0,0|2,0,0]=4 937 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|0,0,2]=4 938 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|1,0,1]=4 939 B12R2.202 Cc1cccc2c1CC(=O)N2 H66430 [0,1,0,1,0,0|1,0,1]=4 940 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N A18160 [0,1,0,1,0,0|1,0,1]=4 941 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N L05440 [0,1,0,1,0,0|1,0,1]=4 942 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.1081 CC1c2ccccc2CCN1 H64191 [0,1,0,1,0,0|1,0,0]=3 944 B12R2.1081 c1cc2c(c(c1)Br)OCCO2 H27709 [0,1,0,1,0,0|1,1,0]=4 945 B12R2.1081 c1cc2c(c(c1)O)CCCC2 L02416 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,1,0,1,0,0|2,0,0]=4 948 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [0,1,0,1,0,0|2,0,0]=4 949 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [0,1,0,1,0,0|2,0,0]=4 950 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [0,1,0,1,0,0|2,0,0]=4 951 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,1,0,1,0,0|2,0,0]=4 952 B12R2.24 CC1CNc2ccccc2S1 H61005 [0,1,0,1,0,0|2,0,0]=4 953 B12R2.24 Cc1ccc2c(c1)CCCN2 A15245 [0,1,0,1,0,0|2,0,0]=4 954 B12R2.24 c1cc2c(cc1Br)CCNC2 H63527 [0,1,0,1,0,0|1,0,0]=3 955 B12R2.24 c1cc2c(cc1Br)CNCC2 B25712 [0,1,0,1,0,0|1,0,0]=3 956 B12R2.24 c1cc2c(cc1Br)CNCC2 H63278 [0,1,0,1,0,0|1,0,0]=3 957 B12R2.24 c1cc2c(cc1Cl)CCNC2 H63786 [0,1,0,1,0,0|1,0,0]=3 958 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63456 [0,1,0,1,0,0|1,0,0]=3 959 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63693 [0,1,0,1,0,0|1,0,0]=3 960 B12R2.24 c1cc2c(cc1F)CCCN2 H35364 [0,1,0,1,0,0|2,0,0]=4 961 B12R2.24 c1cc2c(cc1N)CCNC2 H66983 [0,1,0,1,0,0|1,0,0]=3 962 B12R2.24 c1cc2c(cc1O)CCCC2 L10164 [0,1,0,1,0,0|2,0,0]=4 963 B12R2.24 c1cc2c(cc1O)CCNC2 H64512 [0,1,0,1,0,0|1,0,0]=3 964 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,1,0,1,0,0|2,0,0]=4 965 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,1,0,1,0,0|1,0,0]=3 968 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,1,0,1,0,0|2,0,0]=4 969 B12R2.32 c1ccc2c(c1)CC(C2)CN H66610 [0,1,0,1,0,0|1,0,0]=3 970 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO H27711 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN L07440 [0,1,0,1,0,0|1,0,1]=4 972 B12R2.32 c1ccc2c(c1)cc([nH]2)CN H54281 [0,1,0,1,0,0|1,0,1]=4 973 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,1,0,1,0,0|1,1,0]=4 974 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,1,0,1,0,0|1,1,0]=4 975 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,1,0,0|2,0,0]=4 976 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,1,0,1,0,0|2,0,0]=4 977 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,1,0,1,0,0|2,0,0]=4 978 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,1,0,1,0,0|2,0,0]=4 979 B12R2.221 Cc1ccc(c2c1CCC2)O B20343 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)I H36741 [0,1,0,1,0,0|1,0,1]=4 981 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N H34143 [0,1,0,1,0,0|1,0,1]=4 982 B8R1.8 CCCc1ccco1 B21703 [1,0,0,0,1,0|2,0,0]=4 983 B8R1.8 CCCc1cccs1 L03052 [1,0,0,0,1,0|2,0,0]=4 984 B8R1.8 c1c(nc[nH]1)CCN L09198 [1,0,0,0,1,0|2,0,0]=4 985 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,0,1,0|1,0,0]=3 986 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,1,0|2,0,0]=4 987 B8R1.8 c1cscc1CCO L15138 [1,0,0,0,1,0|2,0,0]=4 988 B8R1.11 Cc1ccsc1CN L18094 [1,0,0,0,1,0|2,0,0]=4 989 B8R1.11 c1csc(c1CN)Br H66245 [1,0,0,0,1,0|1,1,0]=4