0 B9R1.1 C#Cc1ccc(cc1)Br L19082 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.1 C#Cc1ccc(cc1)Cl H51058 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 C#Cc1ccc(cc1)F H26269 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.1 C=Cc1ccc(cc1)Br A17896 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.1 C=Cc1ccc(cc1)F A14775 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.1 C=Cc1ccc(cc1)N L11845 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.1 C=Cc1ccc(cc1)O L10902 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.1 CCc1ccc(cc1)Br A13013 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.1 CCc1ccc(cc1)C L02120 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.1 CCc1ccc(cc1)Cl L07931 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.1 CCc1ccc(cc1)F L05940 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.1 CCc1ccc(cc1)I A14138 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.1 CCc1ccc(cc1)N B24652 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.1 CCc1ccc(cc1)O B23433 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.1 CCc1ccc(cc1)S B25026 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.1 CCc1ccc(nc1)C L06901 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.1 CCc1cnc(nc1)Cl H26856 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.1 CNc1ccc(cc1)Br H55273 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.1 CNc1ccc(cc1)Cl B23962 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.1 CNc1ccc(cc1)F H55105 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.1 CNc1ccc(cc1)O 36674 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.1 CNc1ccc(cc1)O A16236 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.1 COc1cc[n+](cc1)[O-] L04709 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.1 COc1cc[n+](cc1)[O-] L17830 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.1 COc1ccc(cc1)Br A11824 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.1 COc1ccc(cc1)Cl A11377 [0,0,0,0,0,0|1,0,0]=1 29 B9R1.1 COc1ccc(cc1)F B23048 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.1 COc1ccc(cc1)I A12144 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.1 COc1ccc(cc1)N A10946 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.1 COc1ccc(cc1)O A14845 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.1 COc1ccc(cc1)O B23530 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.1 COc1ccc(cc1)S A16009 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [0,0,0,0,0,0|1,0,0]=1 36 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.1 COc1ccc(cn1)Br L20017 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.1 COc1ccc(cn1)Cl H59376 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.1 COc1ccc(cn1)F H30991 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.1 COc1ccc(cn1)I H50135 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.1 COc1ccc(cn1)N H27528 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.1 COc1ccc(nn1)Cl A14173 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.1 COc1cnc(nc1)Cl H60155 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.1 COc1cnc(nc1)N H66799 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.1 COc1ncc(cn1)Br H31918 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.1 CSc1ccc(cc1)Br A15504 [0,0,0,0,0,0|1,1,0]=2 49 B9R1.1 CSc1ccc(cc1)Cl A11025 [0,0,0,0,0,0|1,1,0]=2 50 B9R1.1 CSc1ccc(cc1)F L04979 [0,0,0,0,0,0|1,1,0]=2 51 B9R1.1 CSc1ccc(cc1)N L04950 [0,0,0,0,0,0|1,1,0]=2 52 B9R1.1 CSc1ccc(cc1)O H26225 [0,0,0,0,0,0|1,1,0]=2 53 B9R1.1 CSc1ccc(cc1)S L09580 [0,0,0,0,0,0|1,1,0]=2 54 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [0,0,0,0,0,0|1,1,0]=2 55 B9R1.1 CSc1ccc(cn1)Br H27596 [0,0,0,0,0,0|2,1,0]=3 56 B9R1.1 Cc1ccc(cc1)C#C B24812 [0,0,0,0,0,0|1,0,1]=2 57 B9R1.1 Cc1ccc(cc1)C#N B23029 [0,0,0,0,0,0|2,0,0]=2 58 B9R1.1 Cc1ccc(cc1)C=C L01480 [0,0,0,0,0,0|1,0,1]=2 59 B9R1.1 Cc1ccc(cc1)C=O A11384 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.1 Cc1ccc(cc1)CBr A13297 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.1 Cc1ccc(cc1)CCl A17183 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.1 Cc1ccc(cc1)CN A13768 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.1 Cc1ccc(cc1)CO A15315 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.1 Cc1ccc(cc1)CS A10467 [0,0,0,0,0,0|2,0,0]=2 65 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.1 Cc1ccc(cc1)NN A14220 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.1 Cc1ccc(cc1)OC A11572 [0,0,0,0,0,0|0,0,0]=0 68 B9R1.1 Cc1ccc(cc1)SC L02933 [0,0,0,0,0,0|0,1,0]=1 69 B9R1.1 Cc1ccc(cn1)C#N L09875 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.1 Cc1ccc(cn1)C=O H66926 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.1 Cc1ccc(nc1)C#N H64539 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.1 c1cc(ccc1C#N)Br A10914 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.1 c1cc(ccc1C#N)Cl A14524 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.1 c1cc(ccc1C#N)F A13028 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.1 c1cc(ccc1C#N)I B25104 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.1 c1cc(ccc1C#N)N A13794 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.1 c1cc(ccc1C#N)O A15803 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.1 c1cc(ccc1C#N)[Zn+] H58211 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.1 c1cc(ccc1C=O)Br A14237 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.1 c1cc(ccc1C=O)Cl A12757 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.1 c1cc(ccc1C=O)F A15383 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.1 c1cc(ccc1C=O)I L17448 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.1 c1cc(ccc1C=O)O A13580 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.1 c1cc(ccc1CBr)Br A10892 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.1 c1cc(ccc1CBr)Cl B22858 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.1 c1cc(ccc1CBr)F A10208 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.1 c1cc(ccc1CBr)I A18200 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.1 c1cc(ccc1CCl)Br L11486 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.1 c1cc(ccc1CCl)Cl A14696 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.1 c1cc(ccc1CCl)F A14686 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.1 c1cc(ccc1CN)Br A10979 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.1 c1cc(ccc1CN)Cl A13984 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.1 c1cc(ccc1CN)F A15486 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.1 c1cc(ccc1CN)I L17450 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.1 c1cc(ccc1CN)I L19967 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.1 c1cc(ccc1CO)Br A13197 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.1 c1cc(ccc1CO)Cl A11504 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.1 c1cc(ccc1CO)F A12336 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.1 c1cc(ccc1CO)I L19278 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.1 c1cc(ccc1CO)N A14130 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.1 c1cc(ccc1CO)O A13132 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.1 c1cc(ccc1CS)Br H26299 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.1 c1cc(ccc1CS)Cl A19876 [0,0,0,0,0,0|3,0,0]=3 104 B9R1.1 c1cc(ccc1CS)F A10126 [0,0,0,0,0,0|3,0,0]=3 105 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [0,0,0,0,0,0|3,0,0]=3 106 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [0,0,0,0,0,0|3,0,0]=3 108 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [0,0,0,0,0,0|3,0,0]=3 110 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [0,0,0,0,0,0|3,0,0]=3 111 B9R1.1 c1cc(ccc1NN)Br A15590 [0,0,0,0,0,0|3,0,0]=3 112 B9R1.1 c1cc(ccc1NN)Cl A14518 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.1 c1cc(ccc1NN)F A15624 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.1 c1cc(ccc1NN)I L14806 [0,0,0,0,0,0|3,0,0]=3 115 B9R1.1 c1cc(ccc1[N+]#N)Br B25670 [0,0,0,0,0,0|3,0,0]=3 116 B9R1.1 c1cc(ncc1Br)C#N L19621 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.1 c1cc(ncc1Br)C=O H50154 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.1 c1cc(ncc1C#N)Br H66177 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.1 c1cc(ncc1C#N)Cl A13291 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.1 c1cc(ncc1C#N)F H64278 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.1 c1cc(ncc1C#N)N L19282 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.1 c1cc(ncc1C=O)Br H63867 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.1 c1cc(ncc1C=O)Cl H55550 [0,0,0,0,0,0|4,0,0]=4 124 B9R1.1 c1cc(ncc1CCl)Cl L19284 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.1 c1cc(ncc1CN)Cl L19283 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.1 c1cc(ncc1CO)Br H61375 [0,0,0,0,0,0|4,0,0]=4 127 B9R1.1 c1cc(ncc1CO)Cl L19285 [0,0,0,0,0,0|4,0,0]=4 128 B9R1.1 c1cc(ncc1CO)N H33416 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.1 c1cc(ncc1Cl)C#N H64846 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.1 c1cc(ncc1F)C#N H25956 [0,0,0,0,0,0|4,0,0]=4 131 B9R1.1 c1cc(ncc1N)C#N H28960 [0,0,0,0,0,0|4,0,0]=4 132 B8R1.2 C#Cc1ccccc1 A12139 [1,0,0,0,0,0|1,0,1]=3 133 B8R1.2 C#Cc1ccccn1 L11274 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.2 C#Cc1cccnc1 H53465 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.2 C#Cc1ccncc1 H53455 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.2 C=Cc1ccccc1 16199 [1,0,0,0,0,0|1,0,1]=3 137 B8R1.2 C=Cc1ccccc1 A18481 [1,0,0,0,0,0|1,0,1]=3 138 B8R1.2 C=Cc1ccccn1 A14056 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.2 C=Cc1ccncc1 H36621 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.2 C=Cc1ccncc1 L13316 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.2 CC[n+]1ccccc1 A17911 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.2 CCc1ccccc1 L05908 [1,0,0,0,0,0|1,0,0]=2 143 B8R1.2 CCc1ccccn1 A17352 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.2 CCc1cccnc1 B20318 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.2 CCc1ccncc1 A12883 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.2 CCc1cnccn1 A12759 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.2 CNc1ccccc1 L13873 [1,0,0,0,0,0|1,0,0]=2 148 B8R1.2 CNc1ccccn1 B23589 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.2 CNc1cccnc1 H63602 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.2 CNc1ccncc1 L19626 [1,0,0,0,0,0|2,0,0]=3 151 B8R1.2 CNc1ncccn1 H65564 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.2 COc1ccccc1 A12997 [1,0,0,0,0,0|0,0,0]=1 153 B8R1.2 COc1ccccn1 A13675 [1,0,0,0,0,0|1,0,0]=2 154 B8R1.2 COc1ccncc1 L19625 [1,0,0,0,0,0|1,0,0]=2 155 B8R1.2 COc1cnccn1 A10297 [1,0,0,0,0,0|2,0,0]=3 156 B8R1.2 CSc1ccccc1 A14846 [1,0,0,0,0,0|0,1,0]=2 157 B8R1.2 CSc1cnccn1 B25279 [1,0,0,0,0,0|2,1,0]=4 158 B8R1.2 C[NH2+]c1ccccc1 A17781 [1,0,0,0,0,0|1,0,0]=2 159 B8R1.2 [2H]Oc1ccccc1 H51100 [1,0,0,0,0,0|1,0,0]=2 160 B8R1.2 [C-]#Cc1ccccc1 17538 [1,0,0,0,0,0|1,0,1]=3 161 B8R1.2 c1cc(cnc1)C#N A14850 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.2 c1cc(cnc1)C=O A14607 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.2 c1cc(cnc1)CCl A13279 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.2 c1cc(cnc1)CN B23634 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.2 c1cc(cnc1)CO A10381 [1,0,0,0,0,0|3,0,0]=4 166 B8R1.2 c1ccc(cc1)C#N 10004 [1,0,0,0,0,0|2,0,0]=3 167 B8R1.2 c1ccc(cc1)C#N 10006 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.2 c1ccc(cc1)C#N A11173 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.2 c1ccc(cc1)C=O 30749 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.2 c1ccc(cc1)C=O A10348 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.2 c1ccc(cc1)C=O L19475 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.2 c1ccc(cc1)CBr A13535 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.2 c1ccc(cc1)CCl A12481 [1,0,0,0,0,0|2,0,0]=3 174 B8R1.2 c1ccc(cc1)CN A10997 [1,0,0,0,0,0|2,0,0]=3 175 B8R1.2 c1ccc(cc1)CN L04102 [1,0,0,0,0,0|2,0,0]=3 176 B8R1.2 c1ccc(cc1)CN L19471 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.2 c1ccc(cc1)CO 41218 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.2 c1ccc(cc1)CO L03292 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.2 c1ccc(cc1)CO L19592 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.2 c1ccc(cc1)CS 44466 [1,0,0,0,0,0|2,0,0]=3 181 B8R1.2 c1ccc(cc1)CS B20081 [1,0,0,0,0,0|2,0,0]=3 182 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [1,0,0,0,0,0|2,0,0]=3 183 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.2 c1ccc(cc1)I=O B24531 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.2 c1ccc(cc1)NN A11246 [1,0,0,0,0,0|2,0,0]=3 187 B8R1.2 c1ccc(cc1)NN A14645 [1,0,0,0,0,0|2,0,0]=3 188 B8R1.2 c1ccc(cc1)[As]=O A14674 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.2 c1ccc(cc1)[Se]Br A11906 [1,0,0,0,0,0|1,1,0]=3 190 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [1,0,0,0,0,0|1,1,0]=3 191 B8R1.2 c1ccnc(c1)C#N A12900 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.2 c1ccnc(c1)C=O A11391 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.2 c1ccnc(c1)CCl A10226 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.2 c1ccnc(c1)CN B23208 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.2 c1ccnc(c1)CO A15005 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.2 c1cnccc1C#N A10286 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.2 c1cnccc1C=O A10656 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.2 c1cnccc1CCl A12859 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.2 c1cnccc1CN L06345 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.2 c1cnccc1CO A14698 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.3 C1=CC(=O)C=CC1=O A13162 [1,0,0,0,0,0|1,0,1]=3 202 B8R1.3 Cc1cc[n+](cc1)[O-] A17330 [1,0,0,0,0,0|1,0,1]=3 203 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [1,0,0,0,0,0|2,0,1]=4 204 B8R1.3 Cc1ccc(cc1)Br A15843 [1,0,0,0,0,0|1,0,0]=2 205 B8R1.3 Cc1ccc(cc1)C A10534 [1,0,0,0,0,0|0,0,0]=1 206 B8R1.3 Cc1ccc(cc1)Cl L04672 [1,0,0,0,0,0|1,0,0]=2 207 B8R1.3 Cc1ccc(cc1)F A10365 [1,0,0,0,0,0|1,0,0]=2 208 B8R1.3 Cc1ccc(cc1)I A15631 [1,0,0,0,0,0|1,0,0]=2 209 B8R1.3 Cc1ccc(cc1)N A13698 [1,0,0,0,0,0|1,0,0]=2 210 B8R1.3 Cc1ccc(cc1)O A13531 [1,0,0,0,0,0|0,0,0]=1 211 B8R1.3 Cc1ccc(cc1)S B24970 [1,0,0,0,0,0|0,1,0]=2 212 B8R1.3 Cc1ccc(cc1)[S-] H55095 [1,0,0,0,0,0|0,1,0]=2 213 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [1,0,0,0,0,0|1,0,0]=2 214 B8R1.3 Cc1ccc(cn1)Br H27085 [1,0,0,0,0,0|2,0,0]=3 215 B8R1.3 Cc1ccc(cn1)N H27431 [1,0,0,0,0,0|2,0,0]=3 216 B8R1.3 Cc1ccc(cn1)O B25014 [1,0,0,0,0,0|1,0,0]=2 217 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [1,0,0,0,0,0|2,0,0]=3 218 B8R1.3 Cc1ccc(nc1)Br B25083 [1,0,0,0,0,0|2,0,0]=3 219 B8R1.3 Cc1ccc(nc1)Cl H59145 [1,0,0,0,0,0|2,0,0]=3 220 B8R1.3 Cc1ccc(nc1)F L12241 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.3 Cc1ccc(nc1)N A13330 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.3 Cc1ccc(nc1)O L19528 [1,0,0,0,0,0|1,0,0]=2 223 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [1,0,0,0,0,0|2,0,0]=3 224 B8R1.3 Cc1ccc(nn1)Cl A13480 [1,0,0,0,0,0|3,0,0]=4 225 B8R1.3 Cc1cnc(cn1)C A12352 [1,0,0,0,0,0|2,0,0]=3 226 B8R1.3 Cc1cnc(cn1)N H61286 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.3 Cc1cnc(nc1)Br H66877 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.3 Cc1cnc(nc1)Cl H64773 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.3 Cc1ncc(cn1)Br H66467 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.3 c1c(cnc(n1)O)Br L18347 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.3 c1cc(ccc1Br)Br A10517 [1,0,0,0,0,0|2,0,0]=3 232 B8R1.3 c1cc(ccc1Br)I A13859 [1,0,0,0,0,0|2,0,0]=3 233 B8R1.3 c1cc(ccc1Cl)Br A12160 [1,0,0,0,0,0|2,0,0]=3 234 B8R1.3 c1cc(ccc1Cl)Cl A16290 [1,0,0,0,0,0|2,0,0]=3 235 B8R1.3 c1cc(ccc1Cl)I A13459 [1,0,0,0,0,0|2,0,0]=3 236 B8R1.3 c1cc(ccc1Cl)[Zn+] H58740 [1,0,0,0,0,0|2,0,0]=3 237 B8R1.3 c1cc(ccc1F)Br A11630 [1,0,0,0,0,0|2,0,0]=3 238 B8R1.3 c1cc(ccc1F)Cl A13690 [1,0,0,0,0,0|2,0,0]=3 239 B8R1.3 c1cc(ccc1F)F A16217 [1,0,0,0,0,0|2,0,0]=3 240 B8R1.3 c1cc(ccc1F)I A12008 [1,0,0,0,0,0|2,0,0]=3 241 B8R1.3 c1cc(ccc1F)S A17600 [1,0,0,0,0,0|1,1,0]=3 242 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [1,0,0,0,0,0|2,0,0]=3 243 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [1,0,0,0,0,0|2,0,0]=3 244 B8R1.3 c1cc(ccc1I)I A15335 [1,0,0,0,0,0|2,0,0]=3 245 B8R1.3 c1cc(ccc1N)Br A15126 [1,0,0,0,0,0|2,0,0]=3 246 B8R1.3 c1cc(ccc1N)Cl A12879 [1,0,0,0,0,0|2,0,0]=3 247 B8R1.3 c1cc(ccc1N)Cl L13744 [1,0,0,0,0,0|2,0,0]=3 248 B8R1.3 c1cc(ccc1N)F A15597 [1,0,0,0,0,0|2,0,0]=3 249 B8R1.3 c1cc(ccc1N)I B21936 [1,0,0,0,0,0|2,0,0]=3 250 B8R1.3 c1cc(ccc1N)N A10638 [1,0,0,0,0,0|2,0,0]=3 251 B8R1.3 c1cc(ccc1N)N A12659 [1,0,0,0,0,0|2,0,0]=3 252 B8R1.3 c1cc(ccc1N)N A15680 [1,0,0,0,0,0|2,0,0]=3 253 B8R1.3 c1cc(ccc1N)O A13581 [1,0,0,0,0,0|1,0,0]=2 254 B8R1.3 c1cc(ccc1N)S A14082 [1,0,0,0,0,0|1,1,0]=3 255 B8R1.3 c1cc(ccc1O)Br A14873 [1,0,0,0,0,0|1,0,0]=2 256 B8R1.3 c1cc(ccc1O)Cl A15602 [1,0,0,0,0,0|1,0,0]=2 257 B8R1.3 c1cc(ccc1O)F A11945 [1,0,0,0,0,0|1,0,0]=2 258 B8R1.3 c1cc(ccc1O)I A13455 [1,0,0,0,0,0|1,0,0]=2 259 B8R1.3 c1cc(ccc1O)O A11411 [1,0,0,0,0,0|1,0,0]=2 260 B8R1.3 c1cc(ccc1O)O A16681 [1,0,0,0,0,0|1,0,0]=2 261 B8R1.3 c1cc(ccc1O)S L04429 [1,0,0,0,0,0|1,0,0]=2 262 B8R1.3 c1cc(ccc1S)Br A10555 [1,0,0,0,0,0|1,1,0]=3 263 B8R1.3 c1cc(ccc1S)Cl B23838 [1,0,0,0,0,0|1,1,0]=3 264 B8R1.3 c1cc(ccc1S)S L19440 [1,0,0,0,0,0|1,1,0]=3 265 B8R1.3 c1cc(ccc1[Mg+])Cl H51163 [1,0,0,0,0,0|2,0,0]=3 266 B8R1.3 c1cc(ccc1[Zn+])Br H58429 [1,0,0,0,0,0|2,0,0]=3 267 B8R1.3 c1cc(ncc1Br)Br A10937 [1,0,0,0,0,0|3,0,0]=4 268 B8R1.3 c1cc(ncc1Br)Cl B24862 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.3 c1cc(ncc1Br)F L19537 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.3 c1cc(ncc1Br)I L19610 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.3 c1cc(ncc1Br)N A14280 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.3 c1cc(ncc1Br)O B25267 [1,0,0,0,0,0|2,0,0]=3 273 B8R1.3 c1cc(ncc1Cl)Br H64367 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.3 c1cc(ncc1Cl)Cl A15442 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.3 c1cc(ncc1Cl)F H26945 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.3 c1cc(ncc1Cl)I H64339 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.3 c1cc(ncc1Cl)N A12063 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.3 c1cc(ncc1Cl)O A11914 [1,0,0,0,0,0|2,0,0]=3 279 B8R1.3 c1cc(ncc1F)Br L19536 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.3 c1cc(ncc1F)Cl H27462 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.3 c1cc(ncc1F)F H31130 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.3 c1cc(ncc1F)N L20010 [1,0,0,0,0,0|3,0,0]=4 283 B8R1.3 c1cc(ncc1I)Br L20016 [1,0,0,0,0,0|3,0,0]=4 284 B8R1.3 c1cc(ncc1I)Cl B25271 [1,0,0,0,0,0|3,0,0]=4 285 B8R1.3 c1cc(ncc1I)F L20041 [1,0,0,0,0,0|3,0,0]=4 286 B8R1.3 c1cc(ncc1I)I L20118 [1,0,0,0,0,0|3,0,0]=4 287 B8R1.3 c1cc(ncc1I)N B25175 [1,0,0,0,0,0|3,0,0]=4 288 B8R1.3 c1cc(ncc1I)O L20044 [1,0,0,0,0,0|2,0,0]=3 289 B8R1.3 c1cc(ncc1N)Br L20008 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.3 c1cc(ncc1N)Cl B25336 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.3 c1cc(ncc1N)F H30872 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.3 c1cc(ncc1N)I H27793 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.3 c1cc(ncc1N)N L05599 [1,0,0,0,0,0|3,0,0]=4 294 B8R1.3 c1cc(ncc1N)O H27961 [1,0,0,0,0,0|2,0,0]=3 295 B8R1.3 c1cc(ncc1O)Br H27228 [1,0,0,0,0,0|2,0,0]=3 296 B8R1.3 c1cc(ncc1O)Cl L17701 [1,0,0,0,0,0|2,0,0]=3 297 B8R1.3 c1cc(ncc1O)F H27741 [1,0,0,0,0,0|2,0,0]=3 298 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.1 CCCc1ccc(cc1)Br H26236 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.1 CCCc1ccc(cc1)I L05767 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.1 CCCc1ccc(cc1)N L03880 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.1 CCCc1ccc(cc1)O A15342 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.1 CCOc1ccc(cc1)Br B21398 [0,1,0,0,0,0|1,0,0]=2 305 B10R1.1 CCOc1ccc(cc1)I B21644 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.1 CCOc1ccc(cc1)N A10416 [0,1,0,0,0,0|1,0,0]=2 307 B10R1.1 CCOc1ccc(cc1)O B20584 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.1 CCOc1ccc(cn1)Br H27197 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.1 CCOc1ccc(cn1)I H50156 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.1 CCSc1ccc(cc1)Br L13718 [0,1,0,0,0,0|1,1,0]=3 311 B10R1.1 CNCc1ccc(cc1)Br H54506 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.1 CNCc1ccc(cc1)Cl H63294 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.1 CNCc1ccc(cc1)F H54369 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.1 Cc1ccc(cc1)CC#N A12169 [0,1,0,0,0,0|1,0,1]=3 315 B10R1.1 Cc1ccc(cc1)CCO B20918 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.1 Cc1ccc(cc1)N=C=O A13577 [0,1,0,0,0,0|1,0,1]=3 317 B10R1.1 Cc1ccc(cc1)N=C=S A11499 [0,1,0,0,0,0|1,0,1]=3 318 B10R1.1 c1cc(ccc1CC#N)Br A10887 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.1 c1cc(ccc1CC#N)F A14290 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.1 c1cc(ccc1CC#N)I L15119 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.1 c1cc(ccc1CC#N)N A11304 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.1 c1cc(ccc1CC#N)O A10971 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.1 c1cc(ccc1CCCl)F L16719 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.1 c1cc(ccc1CCN)Br H63706 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.1 c1cc(ccc1CCN)Cl H63081 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.1 c1cc(ccc1CCN)F H61791 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.1 c1cc(ccc1CCN)N L15782 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.1 c1cc(ccc1CCN)O A12220 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.1 c1cc(ccc1CCO)Br A14143 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.1 c1cc(ccc1CCO)F L05618 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.1 c1cc(ccc1CCO)N L15223 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.1 c1cc(ccc1CCO)O A14891 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.1 c1cc(ccc1N=C=O)Br L10834 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.1 c1cc(ccc1N=C=O)Cl A14966 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.1 c1cc(ccc1N=C=O)F A12576 [0,1,0,0,0,0|2,0,1]=4 337 B10R1.1 c1cc(ccc1N=C=O)I L16000 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.1 c1cc(ccc1N=C=S)Br L11101 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.1 c1cc(ccc1N=C=S)Cl A12693 [0,1,0,0,0,0|2,0,1]=4 340 B10R1.1 c1cc(ccc1N=C=S)F A15561 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.1 c1cc(ccc1N=C=S)I L12583 [0,1,0,0,0,0|2,0,1]=4 342 B10R1.3 C#Cc1ccc(cc1)C#N H61244 [0,1,0,0,0,0|1,0,2]=4 343 B10R1.3 C1=CC(=NO)C=CC1=NO A17532 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.3 C=Cc1ccc(cc1)C#N B24395 [0,1,0,0,0,0|1,0,2]=4 345 B10R1.3 CCc1ccc(cc1)C#C H26313 [0,1,0,0,0,0|1,0,1]=3 346 B10R1.3 CCc1ccc(cc1)C#N L07921 [0,1,0,0,0,0|1,0,1]=3 347 B10R1.3 CCc1ccc(cc1)C=O B20645 [0,1,0,0,0,0|1,0,1]=3 348 B10R1.3 CCc1ccc(cc1)CC A13343 [0,1,0,0,0,0|1,0,0]=2 349 B10R1.3 CCc1ccc(cc1)CCl H27900 [0,1,0,0,0,0|1,0,0]=2 350 B10R1.3 CCc1ccc(cc1)CO H30459 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.3 CCc1ccc(cc1)OC A10391 [0,1,0,0,0,0|0,0,0]=1 352 B10R1.3 CNc1ccc(cc1)C#N H65148 [0,1,0,0,0,0|1,0,1]=3 353 B10R1.3 CNc1ccc(cc1)OC H65272 [0,1,0,0,0,0|0,0,0]=1 354 B10R1.3 COc1ccc(cc1)C#C H26283 [0,1,0,0,0,0|0,0,1]=2 355 B10R1.3 COc1ccc(cc1)C#N A15945 [0,1,0,0,0,0|0,0,1]=2 356 B10R1.3 COc1ccc(cc1)C=C B22353 [0,1,0,0,0,0|0,0,1]=2 357 B10R1.3 COc1ccc(cc1)C=O A15364 [0,1,0,0,0,0|0,0,1]=2 358 B10R1.3 COc1ccc(cc1)CN A14999 [0,1,0,0,0,0|0,0,0]=1 359 B10R1.3 COc1ccc(cc1)CO A15559 [0,1,0,0,0,0|0,0,0]=1 360 B10R1.3 COc1ccc(cc1)CS B22542 [0,1,0,0,0,0|0,0,0]=1 361 B10R1.3 COc1ccc(cc1)C[Mg+] H54078 [0,1,0,0,0,0|0,0,0]=1 362 B10R1.3 COc1ccc(cc1)NN L06076 [0,1,0,0,0,0|1,0,0]=2 363 B10R1.3 COc1ccc(cc1)OC A12822 [0,1,0,0,0,0|0,0,0]=1 364 B10R1.3 COc1ccc(cc1)[N+]#N H55827 [0,1,0,0,0,0|1,0,0]=2 365 B10R1.3 COc1ccc(cn1)C=O H26515 [0,1,0,0,0,0|1,0,1]=3 366 B10R1.3 CSc1ccc(cc1)C#N L08979 [0,1,0,0,0,0|0,1,1]=3 367 B10R1.3 CSc1ccc(cc1)C=O B25427 [0,1,0,0,0,0|0,1,1]=3 368 B10R1.3 CSc1ccc(cc1)CCl L19877 [0,1,0,0,0,0|0,1,0]=2 369 B10R1.3 CSc1ccc(cc1)CO B22455 [0,1,0,0,0,0|0,1,0]=2 370 B10R1.3 c1cc(ccc1C#N)C#N B23137 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.3 c1cc(ccc1C#N)NN B22157 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.3 c1cc(ccc1C=O)C#N A14914 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.3 c1cc(ccc1C=O)C=O A14930 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.3 c1cc(ccc1CBr)C#N B20641 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.3 c1cc(ccc1CBr)CBr A13939 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.3 c1cc(ccc1CCl)C#N B22138 [0,1,0,0,0,0|2,0,0]=3 377 B10R1.3 c1cc(ccc1CCl)CCl A13976 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.3 c1cc(ccc1CN)C#N H27473 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.3 c1cc(ccc1CN)CN L02995 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.3 c1cc(ccc1CO)C#N H54283 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.3 c1cc(ccc1CO)CO A14405 [0,1,0,0,0,0|2,0,0]=3 382 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.13 B(c1ccc(cn1)C)(O)O H52517 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.13 B(c1ccc(nc1)C)(O)O H66327 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,1,0,0,0,0|2,0,0]=3 393 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,1,0,0,0,0|2,0,0]=3 395 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,1,0,0,0,0|2,0,0]=3 399 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [0,1,0,0,0,0|2,0,0]=3 401 B10R1.13 CC(C)c1ccc(cc1)I B25476 [0,1,0,0,0,0|2,0,0]=3 402 B10R1.13 CC(C)c1ccc(cc1)N A14646 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.13 CC(C)c1ccc(cc1)O B22620 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.13 CC(C)c1ccc(cc1)S A16038 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.13 CC(c1ccc(cc1)F)N L04575 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,1,0,0,0,0|2,0,0]=3 412 B10R1.13 CC(c1ccc(cc1)O)N H63700 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.13 CN(C)c1ccc(cc1)N A10343 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.13 CN(C)c1ccc(cc1)N A14175 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.13 CN(C)c1ccc(cc1)N A15962 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,1,0,0,0,0|1,0,0]=2 427 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,1,0,0,0,0|1,0,0]=2 428 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,1,0,0,0,0|2,0,0]=3 430 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,1,0,0,0,0|2,0,0]=3 431 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,1,0,0,0,0|2,0,0]=3 432 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,1,0,0,0,0|1,0,0]=2 433 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [0,1,0,0,0,0|1,0,0]=2 435 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [0,1,0,0,0,0|1,1,0]=3 436 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,1,0,0,0,0|1,0,0]=2 437 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,1,0,0,0,0|1,0,0]=2 438 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,1,0,0,0,0|2,0,0]=3 440 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,1,0,0,0,0|3,0,0]=4 441 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] H61750 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [0,1,0,0,0,0|2,1,0]=4 472 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [0,1,0,0,0,0|2,1,0]=4 474 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [0,1,0,0,0,0|2,1,0]=4 475 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.25 CCc1c(nc(cn1)C)C H27383 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.25 CCc1ccc(cc1O)O B21575 [0,1,0,0,0,0|2,0,0]=3 483 B10R1.25 CCc1ccc(nc1N)C A19048 [0,1,0,0,0,0|2,0,0]=3 484 B10R1.25 CNc1ccc(cc1F)F A15778 [0,1,0,0,0,0|2,0,0]=3 485 B10R1.25 COc1c(cc(cn1)Br)Cl H54522 [0,1,0,0,0,0|2,0,0]=3 486 B10R1.25 COc1c(cc(cn1)Br)F H64752 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.25 COc1c(cc(cn1)Br)I H50061 [0,1,0,0,0,0|2,0,0]=3 488 B10R1.25 COc1c(cc(cn1)Br)N H54299 [0,1,0,0,0,0|2,0,0]=3 489 B10R1.25 COc1c(cc(cn1)Cl)F H34151 [0,1,0,0,0,0|2,0,0]=3 490 B10R1.25 COc1c(cc(cn1)F)Br H64915 [0,1,0,0,0,0|2,0,0]=3 491 B10R1.25 COc1c(cc(cn1)F)F H32938 [0,1,0,0,0,0|2,0,0]=3 492 B10R1.25 COc1ccc(cc1Br)Br A16200 [0,1,0,0,0,0|1,0,0]=2 493 B10R1.25 COc1ccc(cc1Br)F A11040 [0,1,0,0,0,0|1,0,0]=2 494 B10R1.25 COc1ccc(cc1Cl)Cl B20042 [0,1,0,0,0,0|1,0,0]=2 495 B10R1.25 COc1ccc(cc1Cl)F B25136 [0,1,0,0,0,0|1,0,0]=2 496 B10R1.25 COc1ccc(cc1F)Br A10948 [0,1,0,0,0,0|1,0,0]=2 497 B10R1.25 COc1ccc(cc1F)F B21509 [0,1,0,0,0,0|1,0,0]=2 498 B10R1.25 COc1ccc(cc1F)N A18606 [0,1,0,0,0,0|1,0,0]=2 499 B10R1.25 COc1ccc(cc1F)[Mg+] H54027 [0,1,0,0,0,0|1,0,0]=2 500 B10R1.25 COc1ccc(cc1I)Cl A13840 [0,1,0,0,0,0|1,0,0]=2 501 B10R1.25 COc1ccc(cc1N)Br B25693 [0,1,0,0,0,0|1,0,0]=2 502 B10R1.25 COc1ccc(cc1N)Cl A12887 [0,1,0,0,0,0|1,0,0]=2 503 B10R1.25 COc1ccc(cc1N)Cl A14244 [0,1,0,0,0,0|1,0,0]=2 504 B10R1.25 COc1ccc(cc1N)F H32525 [0,1,0,0,0,0|1,0,0]=2 505 B10R1.25 COc1ccc(cc1N)I B25557 [0,1,0,0,0,0|1,0,0]=2 506 B10R1.25 COc1ccc(cc1O)N L10234 [0,1,0,0,0,0|1,0,0]=2 507 B10R1.25 COc1ccc(cc1[Mg+])Cl H54501 [0,1,0,0,0,0|1,0,0]=2 508 B10R1.25 COc1ccc(cc1[Mg+])F H54083 [0,1,0,0,0,0|1,0,0]=2 509 B10R1.25 COc1ccc(cc1[Zn+])Cl H58435 [0,1,0,0,0,0|1,0,0]=2 510 B10R1.25 COc1cnc(nc1Cl)Cl H56153 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.25 Cc1cc(ccc1C#N)Br L10526 [0,1,0,0,0,0|3,0,0]=4 512 B10R1.25 Cc1cc(ccc1C#N)Cl H55261 [0,1,0,0,0,0|3,0,0]=4 513 B10R1.25 Cc1cc(ccc1C#N)F H26641 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.25 Cc1cc(ccc1C=O)Br H61314 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.25 Cc1cc(ccc1C=O)F H26266 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.25 Cc1cc(ccc1CBr)F H26849 [0,1,0,0,0,0|3,0,0]=4 517 B10R1.25 Cc1cc(ccc1CN)F H26624 [0,1,0,0,0,0|3,0,0]=4 518 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [0,1,0,0,0,0|3,0,0]=4 519 B10R1.25 Cc1cc(ccc1CO)F H32364 [0,1,0,0,0,0|3,0,0]=4 520 B10R1.25 Cc1cc(ccc1OC)Br B21621 [0,1,0,0,0,0|1,0,0]=2 521 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [0,1,0,0,0,0|1,0,0]=2 522 B10R1.25 Cc1cc(ccc1OC)F A16031 [0,1,0,0,0,0|1,0,0]=2 523 B10R1.25 Cc1cc(ccc1SC)O L07353 [0,1,0,0,0,0|1,1,0]=3 524 B10R1.25 Cc1cc(cnc1NC)Br H54360 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.25 Cc1cc(cnc1NC)I H27718 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.25 Cc1cc(cnc1OC)Br H50113 [0,1,0,0,0,0|2,0,0]=3 527 B10R1.25 Cc1ccc(c(=O)[nH]1)C#N B20188 [0,1,0,0,0,0|3,0,0]=4 528 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [0,1,0,0,0,0|2,0,0]=3 529 B10R1.25 Cc1ccc(c(c1)C)C=C A14286 [0,1,0,0,0,0|1,0,1]=3 530 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.25 Cc1ccc(c(c1)C)CCl L02810 [0,1,0,0,0,0|2,0,0]=3 532 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.25 Cc1ccc(c(c1)C)NN B21009 [0,1,0,0,0,0|2,0,0]=3 534 B10R1.25 Cc1ccc(c(c1)F)C#N H26415 [0,1,0,0,0,0|2,0,0]=3 535 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [0,1,0,0,0,0|2,0,0]=3 536 B10R1.25 Cc1ccc(c(c1)F)CBr H26440 [0,1,0,0,0,0|2,0,0]=3 537 B10R1.25 Cc1ccc(c(c1)F)CN H26267 [0,1,0,0,0,0|2,0,0]=3 538 B10R1.25 Cc1ccc(c(c1)F)OC H26194 [0,1,0,0,0,0|0,0,0]=1 539 B10R1.25 Cc1ccc(c(c1)N)C#N 43260 [0,1,0,0,0,0|2,0,0]=3 540 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [0,1,0,0,0,0|2,0,0]=3 541 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [0,1,0,0,0,0|0,0,0]=1 542 B10R1.25 Cc1ccc(c(n1)Cl)C#N A15648 [0,1,0,0,0,0|3,0,0]=4 543 B10R1.25 c1cc(c(cc1Br)Br)CO H64741 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.25 c1cc(c(cc1Br)Cl)C#N L10602 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.25 c1cc(c(cc1Br)Cl)C=O H27418 [0,1,0,0,0,0|3,0,0]=4 546 B10R1.25 c1cc(c(cc1Br)F)C#N A13086 [0,1,0,0,0,0|3,0,0]=4 547 B10R1.25 c1cc(c(cc1Br)F)C=O A16112 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.25 c1cc(c(cc1Br)F)CBr B21331 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.25 c1cc(c(cc1Br)F)CCl L18680 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.25 c1cc(c(cc1Br)F)CN A15654 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.25 c1cc(c(cc1Br)F)CO L18679 [0,1,0,0,0,0|3,0,0]=4 552 B10R1.25 c1cc(c(cc1Br)F)C[Mg+] H54540 [0,1,0,0,0,0|3,0,0]=4 553 B10R1.25 c1cc(c(cc1Br)F)C[Zn+] H58746 [0,1,0,0,0,0|3,0,0]=4 554 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.25 c1cc(c(cc1Cl)Cl)C#N A10113 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.25 c1cc(c(cc1Cl)Cl)C=O A12525 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.25 c1cc(c(cc1Cl)Cl)CCl A11435 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.25 c1cc(c(cc1Cl)Cl)CN A13207 [0,1,0,0,0,0|3,0,0]=4 559 B10R1.25 c1cc(c(cc1Cl)Cl)CO A13338 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.25 c1cc(c(cc1Cl)Cl)CS B24999 [0,1,0,0,0,0|3,0,0]=4 561 B10R1.25 c1cc(c(cc1Cl)Cl)C[Mg+] H54159 [0,1,0,0,0,0|3,0,0]=4 562 B10R1.25 c1cc(c(cc1Cl)Cl)NN A10943 [0,1,0,0,0,0|3,0,0]=4 563 B10R1.25 c1cc(c(cc1Cl)F)C#N L20160 [0,1,0,0,0,0|3,0,0]=4 564 B10R1.25 c1cc(c(cc1Cl)F)C=O A16110 [0,1,0,0,0,0|3,0,0]=4 565 B10R1.25 c1cc(c(cc1Cl)F)CBr H26814 [0,1,0,0,0,0|3,0,0]=4 566 B10R1.25 c1cc(c(cc1Cl)F)CN H26352 [0,1,0,0,0,0|3,0,0]=4 567 B10R1.25 c1cc(c(cc1Cl)F)CN L13488 [0,1,0,0,0,0|3,0,0]=4 568 B10R1.25 c1cc(c(cc1Cl)F)C[Mg+] H54480 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.25 c1cc(c(cc1Cl)N)C#N B25120 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.25 c1cc(c(cc1F)Br)C#N L20115 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.25 c1cc(c(cc1F)Br)CBr H62157 [0,1,0,0,0,0|3,0,0]=4 572 B10R1.25 c1cc(c(cc1F)Br)CN H62200 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.25 c1cc(c(cc1F)Br)CO H61850 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.25 c1cc(c(cc1F)Cl)C#N A15478 [0,1,0,0,0,0|3,0,0]=4 575 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [0,1,0,0,0,0|3,0,0]=4 576 B10R1.25 c1cc(c(cc1F)Cl)CBr B23565 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.25 c1cc(c(cc1F)Cl)CCl L13850 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.25 c1cc(c(cc1F)Cl)CN L12957 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.25 c1cc(c(cc1F)Cl)C[Mg+] H54799 [0,1,0,0,0,0|3,0,0]=4 580 B10R1.25 c1cc(c(cc1F)F)C#N A14113 [0,1,0,0,0,0|3,0,0]=4 581 B10R1.25 c1cc(c(cc1F)F)C=O A17052 [0,1,0,0,0,0|3,0,0]=4 582 B10R1.25 c1cc(c(cc1F)F)CBr A15213 [0,1,0,0,0,0|3,0,0]=4 583 B10R1.25 c1cc(c(cc1F)F)CCl H26783 [0,1,0,0,0,0|3,0,0]=4 584 B10R1.25 c1cc(c(cc1F)F)CN B20985 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.25 c1cc(c(cc1F)F)CO A19945 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.25 c1cc(c(cc1F)F)C[Mg+] H54966 [0,1,0,0,0,0|3,0,0]=4 587 B10R1.25 c1cc(c(cc1F)F)C[Zn+] H58036 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.25 c1cc(c(cc1F)F)NN A11625 [0,1,0,0,0,0|3,0,0]=4 589 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [0,1,0,0,0,0|3,0,0]=4 590 B10R1.25 c1cc(c(cc1I)F)C#N H61973 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.25 c1cc(c(cc1N)Br)C#N H61247 [0,1,0,0,0,0|3,0,0]=4 592 B10R1.25 c1cc(c(cc1N)Cl)C#N L15924 [0,1,0,0,0,0|3,0,0]=4 593 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.25 c1cc(c(cc1O)F)C#N B21535 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.25 c1cc(c(cc1O)F)C=O H26218 [0,1,0,0,0,0|3,0,0]=4 596 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [0,1,0,0,0,0|3,0,0]=4 597 B10R1.176 CCc1ccc(c(c1)O)O A12048 [0,1,0,0,0,0|2,0,0]=3 598 B10R1.176 CNc1ccc(c(c1)Cl)Cl L10631 [0,1,0,0,0,0|2,0,0]=3 599 B10R1.176 COc1ccc(c(c1)Br)Cl A18660 [0,1,0,0,0,0|1,0,0]=2 600 B10R1.176 COc1ccc(c(c1)Cl)Cl A17242 [0,1,0,0,0,0|1,0,0]=2 601 B10R1.176 COc1ccc(c(c1)Cl)F B22425 [0,1,0,0,0,0|1,0,0]=2 602 B10R1.176 COc1ccc(c(c1)Cl)O A16652 [0,1,0,0,0,0|1,0,0]=2 603 B10R1.176 COc1ccc(c(c1)F)Br H27319 [0,1,0,0,0,0|1,0,0]=2 604 B10R1.176 COc1ccc(c(c1)F)F A12474 [0,1,0,0,0,0|1,0,0]=2 605 B10R1.176 COc1ccc(c(c1)F)N H32885 [0,1,0,0,0,0|1,0,0]=2 606 B10R1.176 COc1ccc(c(c1)N)Cl L13490 [0,1,0,0,0,0|1,0,0]=2 607 B10R1.176 COc1ccc(c(c1)N)Cl L20162 [0,1,0,0,0,0|1,0,0]=2 608 B10R1.176 COc1ccc(c(c1)N)N A12363 [0,1,0,0,0,0|1,0,0]=2 609 B10R1.176 COc1ccc(c(c1)N)N A15557 [0,1,0,0,0,0|1,0,0]=2 610 B10R1.176 COc1ccc(c(c1)N)O H33724 [0,1,0,0,0,0|1,0,0]=2 611 B10R1.176 COc1ccc(c(n1)N)N H26472 [0,1,0,0,0,0|2,0,0]=3 612 B10R1.176 Cc1c(ccc(n1)OC)Br H61962 [0,1,0,0,0,0|2,0,0]=3 613 B10R1.176 Cc1cc(ccc1Br)C#N B25377 [0,1,0,0,0,0|3,0,0]=4 614 B10R1.176 Cc1cc(ccc1Br)OC A12318 [0,1,0,0,0,0|1,0,0]=2 615 B10R1.176 Cc1cc(ccc1Cl)OC B23825 [0,1,0,0,0,0|1,0,0]=2 616 B10R1.176 Cc1cc(ccc1F)C#N H26658 [0,1,0,0,0,0|3,0,0]=4 617 B10R1.176 Cc1cc(ccc1F)C=O B23526 [0,1,0,0,0,0|3,0,0]=4 618 B10R1.176 Cc1cc(ccc1F)CBr H26681 [0,1,0,0,0,0|3,0,0]=4 619 B10R1.176 Cc1cc(ccc1F)CN H26598 [0,1,0,0,0,0|3,0,0]=4 620 B10R1.176 Cc1cc(ccc1F)OC A18694 [0,1,0,0,0,0|1,0,0]=2 621 B10R1.176 Cc1cc(ccc1N)C#N L17868 [0,1,0,0,0,0|3,0,0]=4 622 B10R1.176 Cc1cc(ccc1N)OC L14910 [0,1,0,0,0,0|1,0,0]=2 623 B10R1.176 Cc1cc(ccc1[Mg+])OC H54554 [0,1,0,0,0,0|1,0,0]=2 624 B10R1.176 Cc1ccc(cc1Br)C#N H27806 [0,1,0,0,0,0|2,0,0]=3 625 B10R1.176 Cc1ccc(cc1C)C#N A14379 [0,1,0,0,0,0|2,0,0]=3 626 B10R1.176 Cc1ccc(cc1C)C=O A15388 [0,1,0,0,0,0|2,0,0]=3 627 B10R1.176 Cc1ccc(cc1C)CN H50280 [0,1,0,0,0,0|2,0,0]=3 628 B10R1.176 Cc1ccc(cc1C)CO B24926 [0,1,0,0,0,0|2,0,0]=3 629 B10R1.176 Cc1ccc(cc1C)NN A13027 [0,1,0,0,0,0|2,0,0]=3 630 B10R1.176 Cc1ccc(cc1C)OC B22735 [0,1,0,0,0,0|0,0,0]=1 631 B10R1.176 Cc1ccc(cc1Cl)C#N H55833 [0,1,0,0,0,0|2,0,0]=3 632 B10R1.176 Cc1ccc(cc1Cl)CO 43819 [0,1,0,0,0,0|2,0,0]=3 633 B10R1.176 Cc1ccc(cc1Cl)NN B22053 [0,1,0,0,0,0|2,0,0]=3 634 B10R1.176 Cc1ccc(cc1Cl)OC H27401 [0,1,0,0,0,0|0,0,0]=1 635 B10R1.176 Cc1ccc(cc1F)C#N B20764 [0,1,0,0,0,0|2,0,0]=3 636 B10R1.176 Cc1ccc(cc1F)C=O B23736 [0,1,0,0,0,0|2,0,0]=3 637 B10R1.176 Cc1ccc(cc1F)CBr H26349 [0,1,0,0,0,0|2,0,0]=3 638 B10R1.176 Cc1ccc(cc1F)CN L19171 [0,1,0,0,0,0|2,0,0]=3 639 B10R1.176 Cc1ccc(cc1F)CO L19170 [0,1,0,0,0,0|2,0,0]=3 640 B10R1.176 Cc1ccc(cc1F)OC H32472 [0,1,0,0,0,0|0,0,0]=1 641 B10R1.176 Cc1ccc(cc1N)OC H60177 [0,1,0,0,0,0|0,0,0]=1 642 B10R1.176 c1cc(c(cc1C#N)Br)F A13318 [0,1,0,0,0,0|3,0,0]=4 643 B10R1.176 c1cc(c(cc1C#N)Br)N H55483 [0,1,0,0,0,0|3,0,0]=4 644 B10R1.176 c1cc(c(cc1C#N)Br)O A19400 [0,1,0,0,0,0|3,0,0]=4 645 B10R1.176 c1cc(c(cc1C#N)Cl)Cl A12338 [0,1,0,0,0,0|3,0,0]=4 646 B10R1.176 c1cc(c(cc1C#N)Cl)F A15987 [0,1,0,0,0,0|3,0,0]=4 647 B10R1.176 c1cc(c(cc1C#N)Cl)N A12154 [0,1,0,0,0,0|3,0,0]=4 648 B10R1.176 c1cc(c(cc1C#N)Cl)O H50434 [0,1,0,0,0,0|3,0,0]=4 649 B10R1.176 c1cc(c(cc1C#N)F)Br H61939 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.176 c1cc(c(cc1C#N)F)Cl L19883 [0,1,0,0,0,0|3,0,0]=4 651 B10R1.176 c1cc(c(cc1C#N)F)F A15600 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.176 c1cc(c(cc1C#N)F)I H55141 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.176 c1cc(c(cc1C#N)F)N H26170 [0,1,0,0,0,0|3,0,0]=4 654 B10R1.176 c1cc(c(cc1C#N)F)O H26107 [0,1,0,0,0,0|3,0,0]=4 655 B10R1.176 c1cc(c(cc1C#N)I)N H55400 [0,1,0,0,0,0|3,0,0]=4 656 B10R1.176 c1cc(c(cc1C#N)N)F H34336 [0,1,0,0,0,0|3,0,0]=4 657 B10R1.176 c1cc(c(cc1C#N)N)N H66954 [0,1,0,0,0,0|3,0,0]=4 658 B10R1.176 c1cc(c(cc1C#N)N)O H33856 [0,1,0,0,0,0|3,0,0]=4 659 B10R1.176 c1cc(c(cc1C#N)O)O A14783 [0,1,0,0,0,0|3,0,0]=4 660 B10R1.176 c1cc(c(cc1C=O)Br)Br L13762 [0,1,0,0,0,0|3,0,0]=4 661 B10R1.176 c1cc(c(cc1C=O)Br)F A15198 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.176 c1cc(c(cc1C=O)Br)O B24729 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.176 c1cc(c(cc1C=O)Cl)Cl B24706 [0,1,0,0,0,0|3,0,0]=4 664 B10R1.176 c1cc(c(cc1C=O)Cl)F A19923 [0,1,0,0,0,0|3,0,0]=4 665 B10R1.176 c1cc(c(cc1C=O)Cl)O A17515 [0,1,0,0,0,0|3,0,0]=4 666 B10R1.176 c1cc(c(cc1C=O)F)Br H57833 [0,1,0,0,0,0|3,0,0]=4 667 B10R1.176 c1cc(c(cc1C=O)F)Cl 41365 [0,1,0,0,0,0|3,0,0]=4 668 B10R1.176 c1cc(c(cc1C=O)F)F A14028 [0,1,0,0,0,0|3,0,0]=4 669 B10R1.176 c1cc(c(cc1C=O)F)O L19325 [0,1,0,0,0,0|3,0,0]=4 670 B10R1.176 c1cc(c(cc1C=O)I)F H33615 [0,1,0,0,0,0|3,0,0]=4 671 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [0,1,0,0,0,0|3,0,0]=4 672 B10R1.176 c1cc(c(cc1CBr)Br)F H61399 [0,1,0,0,0,0|3,0,0]=4 673 B10R1.176 c1cc(c(cc1CBr)Cl)Cl L05254 [0,1,0,0,0,0|3,0,0]=4 674 B10R1.176 c1cc(c(cc1CBr)Cl)F L19146 [0,1,0,0,0,0|3,0,0]=4 675 B10R1.176 c1cc(c(cc1CBr)F)Br H59275 [0,1,0,0,0,0|3,0,0]=4 676 B10R1.176 c1cc(c(cc1CBr)F)Cl H26391 [0,1,0,0,0,0|3,0,0]=4 677 B10R1.176 c1cc(c(cc1CBr)F)F A19965 [0,1,0,0,0,0|3,0,0]=4 678 B10R1.176 c1cc(c(cc1CCl)Cl)Cl A17672 [0,1,0,0,0,0|3,0,0]=4 679 B10R1.176 c1cc(c(cc1CCl)F)F B20367 [0,1,0,0,0,0|3,0,0]=4 680 B10R1.176 c1cc(c(cc1CN)Br)F A19280 [0,1,0,0,0,0|3,0,0]=4 681 B10R1.176 c1cc(c(cc1CN)Cl)Cl L04899 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.176 c1cc(c(cc1CN)Cl)F L12881 [0,1,0,0,0,0|3,0,0]=4 683 B10R1.176 c1cc(c(cc1CN)F)Cl H26780 [0,1,0,0,0,0|3,0,0]=4 684 B10R1.176 c1cc(c(cc1CN)F)F A18448 [0,1,0,0,0,0|3,0,0]=4 685 B10R1.176 c1cc(c(cc1CN)O)O B21833 [0,1,0,0,0,0|3,0,0]=4 686 B10R1.176 c1cc(c(cc1CO)Br)F H30604 [0,1,0,0,0,0|3,0,0]=4 687 B10R1.176 c1cc(c(cc1CO)Br)O H32461 [0,1,0,0,0,0|3,0,0]=4 688 B10R1.176 c1cc(c(cc1CO)Cl)Cl A13236 [0,1,0,0,0,0|3,0,0]=4 689 B10R1.176 c1cc(c(cc1CO)Cl)F B23080 [0,1,0,0,0,0|3,0,0]=4 690 B10R1.176 c1cc(c(cc1CO)F)Br H59557 [0,1,0,0,0,0|3,0,0]=4 691 B10R1.176 c1cc(c(cc1CO)F)F A18051 [0,1,0,0,0,0|3,0,0]=4 692 B10R1.176 c1cc(c(cc1CO)O)Br H66253 [0,1,0,0,0,0|3,0,0]=4 693 B10R1.176 c1cc(c(cc1CS)Cl)Cl L03226 [0,1,0,0,0,0|3,0,0]=4 694 B10R1.176 c1cc(c(cc1C[Mg+])Cl)Cl H54133 [0,1,0,0,0,0|3,0,0]=4 695 B10R1.176 c1cc(c(cc1C[Mg+])Cl)F H54242 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.176 c1cc(c(cc1C[Mg+])F)F H54312 [0,1,0,0,0,0|3,0,0]=4 697 B10R1.176 c1cc(c(cc1C[Zn+])F)F H58167 [0,1,0,0,0,0|3,0,0]=4 698 B10R1.176 c1cc(c(cc1NN)Cl)Cl A13906 [0,1,0,0,0,0|3,0,0]=4 699 B10R1.176 c1cc(c(cc1NN)Cl)F A10175 [0,1,0,0,0,0|3,0,0]=4 700 B10R1.176 c1cc(c(cc1NN)F)F H26186 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.9 CC(C)\C=C\C(=O)OC L20191 [0,0,1,0,0,0|1,0,2]=4 702 B8R1.1 CCc1[nH]cc(n1)C A15798 [0,0,0,0,1,0|3,0,0]=4 703 B8R1.1 CCc1ccc(s1)C B22640 [0,0,0,0,1,0|2,0,0]=3 704 B8R1.1 CCc1nc(cs1)C A15642 [0,0,0,0,1,0|3,0,0]=4 705 B8R1.1 CCn1cc[n+](c1)C H26901 [0,0,0,0,1,0|3,0,0]=4 706 B8R1.1 CCn1cc[n+](c1)C H26913 [0,0,0,0,1,0|3,0,0]=4 707 B8R1.1 CCn1cc[n+](c1)C H27232 [0,0,0,0,1,0|3,0,0]=4 708 B8R1.1 CCn1cc[n+](c1)C H27571 [0,0,0,0,1,0|3,0,0]=4 709 B8R1.1 CCn1cc[n+](c1)C H27651 [0,0,0,0,1,0|3,0,0]=4 710 B8R1.1 CCn1cc[n+](c1)C H59277 [0,0,0,0,1,0|3,0,0]=4 711 B8R1.1 CCn1cc[n+](c1)C H59404 [0,0,0,0,1,0|3,0,0]=4 712 B8R1.1 CCn1cc[n+](c1)C H59448 [0,0,0,0,1,0|3,0,0]=4 713 B8R1.1 CCn1cc[n+](c1)C H59480 [0,0,0,0,1,0|3,0,0]=4 714 B8R1.1 CCn1cc[n+](c1)C H59493 [0,0,0,0,1,0|3,0,0]=4 715 B8R1.1 CCn1cc[n+](c1)C L19761 [0,0,0,0,1,0|3,0,0]=4 716 B8R1.1 CCn1cc[n+](c1)C L19762 [0,0,0,0,1,0|3,0,0]=4 717 B8R1.1 CCn1cc[n+](c1)C L19763 [0,0,0,0,1,0|3,0,0]=4 718 B8R1.1 CCn1cc[n+](c1)C L19764 [0,0,0,0,1,0|3,0,0]=4 719 B8R1.1 COC1=CC(=O)NC1 L19344 [0,0,0,0,1,0|2,0,1]=4 720 B8R1.1 Cc1ccc(o1)C=O A13264 [0,0,0,0,1,0|3,0,0]=4 721 B8R1.1 Cc1ccc(o1)SC B21998 [0,0,0,0,1,0|1,1,0]=3 722 B8R1.1 Cc1ccc(s1)C=O A11119 [0,0,0,0,1,0|3,0,0]=4 723 B7R0.6 CC(=C)CCC(=C)C B21781 [1,0,1,0,0,0|0,0,2]=4 724 B7R0.6 CC(=CC=C(C)C)C B21635 [1,0,1,0,0,0|0,0,2]=4 725 B7R0.6 CC(=O)\C=C\C(=O)O L02185 [1,0,1,0,0,0|2,0,0]=4 726 B7R1.3 CC1=CCC=CC1 B20298 [2,0,0,0,0,0|0,0,2]=4 727 B7R1.3 Cc1ccccc1 16371 [2,0,0,0,0,0|0,0,0]=2 728 B7R1.3 Cc1ccccc1 19376 [2,0,0,0,0,0|0,0,0]=2 729 B7R1.3 Cc1ccccc1 19399 [2,0,0,0,0,0|0,0,0]=2 730 B7R1.3 Cc1ccccc1 19402 [2,0,0,0,0,0|0,0,0]=2 731 B7R1.3 Cc1ccccc1 22903 [2,0,0,0,0,0|0,0,0]=2 732 B7R1.3 Cc1ccccc1 31755 [2,0,0,0,0,0|0,0,0]=2 733 B7R1.3 Cc1ccccc1 41464 [2,0,0,0,0,0|0,0,0]=2 734 B7R1.3 Cc1ccccc1 41841 [2,0,0,0,0,0|0,0,0]=2 735 B7R1.3 Cc1ccccc1 43061 [2,0,0,0,0,0|0,0,0]=2 736 B7R1.3 Cc1ccccc1 47136 [2,0,0,0,0,0|0,0,0]=2 737 B7R1.3 Cc1ccccc1 L10967 [2,0,0,0,0,0|0,0,0]=2 738 B7R1.3 Cc1ccccc1 L13317 [2,0,0,0,0,0|0,0,0]=2 739 B7R1.3 Cc1ccccn1 A10847 [2,0,0,0,0,0|1,0,0]=3 740 B7R1.3 Cc1cccnc1 A14012 [2,0,0,0,0,0|1,0,0]=3 741 B7R1.3 Cc1cccnn1 A14097 [2,0,0,0,0,0|2,0,0]=4 742 B7R1.3 Cc1ccncc1 A15595 [2,0,0,0,0,0|1,0,0]=3 743 B7R1.3 Cc1ccncn1 A13170 [2,0,0,0,0,0|2,0,0]=4 744 B7R1.3 Cc1ccnnc1 L09749 [2,0,0,0,0,0|2,0,0]=4 745 B7R1.3 Cc1cnccn1 A14146 [2,0,0,0,0,0|2,0,0]=4 746 B7R1.3 Cc1cncnc1 L19638 [2,0,0,0,0,0|2,0,0]=4 747 B7R1.3 [Li]c1ccccc1 45770 [2,0,0,0,0,0|1,0,0]=3 748 B7R1.3 [Li]c1ccccc1 47286 [2,0,0,0,0,0|1,0,0]=3 749 B7R1.3 c1cc(cnc1)Br A12894 [2,0,0,0,0,0|2,0,0]=4 750 B7R1.3 c1cc(cnc1)Cl B24316 [2,0,0,0,0,0|2,0,0]=4 751 B7R1.3 c1cc(cnc1)F A11693 [2,0,0,0,0,0|2,0,0]=4 752 B7R1.3 c1cc(cnc1)I B23225 [2,0,0,0,0,0|2,0,0]=4 753 B7R1.3 c1cc(cnc1)N A13216 [2,0,0,0,0,0|2,0,0]=4 754 B7R1.3 c1cc(cnc1)O A13910 [2,0,0,0,0,0|1,0,0]=3 755 B7R1.3 c1cc(cnc1)[Zn+] H58498 [2,0,0,0,0,0|2,0,0]=4 756 B7R1.3 c1cc[n+](cc1)N B25703 [2,0,0,0,0,0|2,0,0]=4 757 B7R1.3 c1cc[n+](cc1)[O-] A10419 [2,0,0,0,0,0|1,0,1]=4 758 B7R1.3 c1ccc(cc1)Br A11407 [2,0,0,0,0,0|1,0,0]=3 759 B7R1.3 c1ccc(cc1)Cl 22921 [2,0,0,0,0,0|1,0,0]=3 760 B7R1.3 c1ccc(cc1)Cl 22922 [2,0,0,0,0,0|1,0,0]=3 761 B7R1.3 c1ccc(cc1)Cl 36401 [2,0,0,0,0,0|1,0,0]=3 762 B7R1.3 c1ccc(cc1)Cl B21052 [2,0,0,0,0,0|1,0,0]=3 763 B7R1.3 c1ccc(cc1)Cl H27688 [2,0,0,0,0,0|1,0,0]=3 764 B7R1.3 c1ccc(cc1)F A14384 [2,0,0,0,0,0|1,0,0]=3 765 B7R1.3 c1ccc(cc1)I A12788 [2,0,0,0,0,0|1,0,0]=3 766 B7R1.3 c1ccc(cc1)N 36238 [2,0,0,0,0,0|1,0,0]=3 767 B7R1.3 c1ccc(cc1)N A13024 [2,0,0,0,0,0|1,0,0]=3 768 B7R1.3 c1ccc(cc1)N A14443 [2,0,0,0,0,0|1,0,0]=3 769 B7R1.3 c1ccc(cc1)N A15563 [2,0,0,0,0,0|1,0,0]=3 770 B7R1.3 c1ccc(cc1)O 33213 [2,0,0,0,0,0|0,0,0]=2 771 B7R1.3 c1ccc(cc1)O 44526 [2,0,0,0,0,0|0,0,0]=2 772 B7R1.3 c1ccc(cc1)O A15760 [2,0,0,0,0,0|0,0,0]=2 773 B7R1.3 c1ccc(cc1)O L19594 [2,0,0,0,0,0|0,0,0]=2 774 B7R1.3 c1ccc(cc1)P 30155 [2,0,0,0,0,0|1,0,0]=3 775 B7R1.3 c1ccc(cc1)S A15916 [2,0,0,0,0,0|0,1,0]=3 776 B7R1.3 c1ccc(cc1)[Hg+] 37113 [2,0,0,0,0,0|1,0,0]=3 777 B7R1.3 c1ccc(cc1)[Hg+] 37125 [2,0,0,0,0,0|1,0,0]=3 778 B7R1.3 c1ccc(cc1)[Mg+] 42859 [2,0,0,0,0,0|1,0,0]=3 779 B7R1.3 c1ccc(cc1)[Mg+] 87326 [2,0,0,0,0,0|1,0,0]=3 780 B7R1.3 c1ccc(cc1)[Mg+] H51157 [2,0,0,0,0,0|1,0,0]=3 781 B7R1.3 c1ccc(cc1)[Mg+] H54729 [2,0,0,0,0,0|1,0,0]=3 782 B7R1.3 c1ccc(cc1)[O-] 51120 [2,0,0,0,0,0|0,0,1]=3 783 B7R1.3 c1ccc(cc1)[O-] B25002 [2,0,0,0,0,0|0,0,1]=3 784 B7R1.3 c1ccc(cc1)[SeH] A12876 [2,0,0,0,0,0|0,1,0]=3 785 B7R1.3 c1ccc(cc1)[SiH3] A17901 [2,0,0,0,0,0|0,1,0]=3 786 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [2,0,0,0,0,0|1,0,0]=3 787 B7R1.3 c1ccc(cc1)[Zn+] H58343 [2,0,0,0,0,0|1,0,0]=3 788 B7R1.3 c1ccc(cc1)[Zn+] H58659 [2,0,0,0,0,0|1,0,0]=3 789 B7R1.3 c1ccnc(c1)Br A13241 [2,0,0,0,0,0|2,0,0]=4 790 B7R1.3 c1ccnc(c1)Cl A14866 [2,0,0,0,0,0|2,0,0]=4 791 B7R1.3 c1ccnc(c1)F A11627 [2,0,0,0,0,0|2,0,0]=4 792 B7R1.3 c1ccnc(c1)I H63062 [2,0,0,0,0,0|2,0,0]=4 793 B7R1.3 c1ccnc(c1)N A12374 [2,0,0,0,0,0|2,0,0]=4 794 B7R1.3 c1ccnc(c1)O A14522 [2,0,0,0,0,0|1,0,0]=3 795 B7R1.3 c1ccnc(c1)S A11741 [2,0,0,0,0,0|1,1,0]=4 796 B7R1.3 c1ccnc(c1)[Zn+] H58544 [2,0,0,0,0,0|2,0,0]=4 797 B7R1.3 c1cnc(nc1)O A13732 [2,0,0,0,0,0|2,0,0]=4 798 B7R1.3 c1cnccc1Br L07052 [2,0,0,0,0,0|2,0,0]=4 799 B7R1.3 c1cnccc1Cl A15628 [2,0,0,0,0,0|2,0,0]=4 800 B7R1.3 c1cnccc1I B25459 [2,0,0,0,0,0|2,0,0]=4 801 B7R1.3 c1cnccc1N A12405 [2,0,0,0,0,0|2,0,0]=4 802 B7R1.3 c1cnccc1O A14586 [2,0,0,0,0,0|1,0,0]=3 803 B9R1.2 C#Cc1cccc(c1)N L20124 [1,1,0,0,0,0|1,0,1]=4 804 B9R1.2 C#Cc1cccc(c1)O L11523 [1,1,0,0,0,0|1,0,1]=4 805 B9R1.2 C=Cc1cccc(c1)Br B24497 [1,1,0,0,0,0|1,0,1]=4 806 B9R1.2 C=Cc1cccc(c1)Cl B23806 [1,1,0,0,0,0|1,0,1]=4 807 B9R1.2 C=Cc1cccc(c1)F A12406 [1,1,0,0,0,0|1,0,1]=4 808 B9R1.2 CC[n+]1cccc(c1)O H55169 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.2 CCc1cccc(c1)Br A12258 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.2 CCc1cccc(c1)C L18788 [1,1,0,0,0,0|1,0,0]=3 811 B9R1.2 CCc1cccc(c1)O B23470 [1,1,0,0,0,0|1,0,0]=3 812 B9R1.2 CCc1cccc(n1)N A19146 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.2 CCc1ccnc(c1)N A18754 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.2 CNc1cccc(c1)Br H55464 [1,1,0,0,0,0|1,0,0]=3 815 B9R1.2 CNc1cccc(c1)Cl A12418 [1,1,0,0,0,0|1,0,0]=3 816 B9R1.2 CNc1cccc(c1)F B22565 [1,1,0,0,0,0|1,0,0]=3 817 B9R1.2 COc1cc(ccn1)Br H64026 [1,1,0,0,0,0|1,0,0]=3 818 B9R1.2 COc1cc(cnc1)Br H27728 [1,1,0,0,0,0|1,0,0]=3 819 B9R1.2 COc1cccc(c1)Br A15625 [1,1,0,0,0,0|0,0,0]=2 820 B9R1.2 COc1cccc(c1)Cl A17327 [1,1,0,0,0,0|0,0,0]=2 821 B9R1.2 COc1cccc(c1)F A10931 [1,1,0,0,0,0|0,0,0]=2 822 B9R1.2 COc1cccc(c1)I A14208 [1,1,0,0,0,0|0,0,0]=2 823 B9R1.2 COc1cccc(c1)N A10815 [1,1,0,0,0,0|0,0,0]=2 824 B9R1.2 COc1cccc(c1)O A12826 [1,1,0,0,0,0|0,0,0]=2 825 B9R1.2 COc1cccc(c1)S A10648 [1,1,0,0,0,0|0,0,0]=2 826 B9R1.2 COc1cccc(c1)[Mg+] H54780 [1,1,0,0,0,0|0,0,0]=2 827 B9R1.2 COc1cccc(c1)[Zn+] H58982 [1,1,0,0,0,0|0,0,0]=2 828 B9R1.2 COc1cccc(n1)Br H30593 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.2 COc1cccc(n1)Cl L05997 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.2 COc1cccc(n1)F H32994 [1,1,0,0,0,0|1,0,0]=3 831 B9R1.2 COc1cccc(n1)N H66436 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.2 COc1ccnc(c1)Cl L17697 [1,1,0,0,0,0|1,0,0]=3 833 B9R1.2 COc1ccnc(c1)N H66125 [1,1,0,0,0,0|1,0,0]=3 834 B9R1.2 COc1cncc(n1)N H61990 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.2 CSc1cccc(c1)Br B25406 [1,1,0,0,0,0|0,1,0]=3 836 B9R1.2 CSc1cccc(c1)Cl L11346 [1,1,0,0,0,0|0,1,0]=3 837 B9R1.2 CSc1cccc(c1)N B23184 [1,1,0,0,0,0|0,1,0]=3 838 B9R1.2 Cc1cccc(c1)C#C L17184 [1,1,0,0,0,0|1,0,1]=4 839 B9R1.2 Cc1cccc(c1)C#N A13165 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.2 Cc1cccc(c1)C=C L08072 [1,1,0,0,0,0|1,0,1]=4 841 B9R1.2 Cc1cccc(c1)C=O A15313 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.2 Cc1cccc(c1)CBr B24731 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.2 Cc1cccc(c1)CCl A10784 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.2 Cc1cccc(c1)CN L04922 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.2 Cc1cccc(c1)CO B20875 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.2 Cc1cccc(c1)CS L12043 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.2 Cc1cccc(c1)NN A13667 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.2 Cc1cccc(c1)NN L11958 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.2 Cc1cccc(c1)OC B21455 [1,1,0,0,0,0|0,0,0]=2 851 B9R1.2 Cc1cccc(n1)OC H25772 [1,1,0,0,0,0|1,0,0]=3 852 B9R1.2 c1cc(cc(c1)Br)C#N A13317 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.2 c1cc(cc(c1)Br)C=O A11941 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.2 c1cc(cc(c1)Br)CBr A15075 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.2 c1cc(cc(c1)Br)CCl L12458 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.2 c1cc(cc(c1)Br)CN A16132 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.2 c1cc(cc(c1)Br)CN B24963 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.2 c1cc(cc(c1)Br)CO A10929 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.2 c1cc(cc(c1)Br)CS H26358 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.2 c1cc(cc(c1)Br)C[Mg+] H60329 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.2 c1cc(cc(c1)Br)C[Zn+] H58983 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.2 c1cc(cc(c1)Br)NN B23510 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.2 c1cc(cc(c1)Cl)C#N A13237 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.2 c1cc(cc(c1)Cl)C=O A13254 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.2 c1cc(cc(c1)Cl)CBr A15844 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.2 c1cc(cc(c1)Cl)CCl A11041 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.2 c1cc(cc(c1)Cl)CN A14078 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.2 c1cc(cc(c1)Cl)C[Mg+] H54237 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.2 c1cc(cc(c1)Cl)C[Zn+] H58753 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.2 c1cc(cc(c1)Cl)NN A14770 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.2 c1cc(cc(c1)F)C#N B23426 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.2 c1cc(cc(c1)F)C=O A11396 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.2 c1cc(cc(c1)F)CBr A15446 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.2 c1cc(cc(c1)F)CCl A12665 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.2 c1cc(cc(c1)F)CN B23527 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.2 c1cc(cc(c1)F)CO A12509 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.2 c1cc(cc(c1)F)C[Mg+] H54485 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.2 c1cc(cc(c1)F)C[Zn+] H58707 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.2 c1cc(cc(c1)F)NN L07418 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.2 c1cc(cc(c1)I)C#N B22020 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.2 c1cc(cc(c1)I)C=O L17447 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.2 c1cc(cc(c1)I)CBr A11140 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.2 c1cc(cc(c1)I)CN L05622 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.2 c1cc(cc(c1)I)CN L17801 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.2 c1cc(cc(c1)I)CO L05309 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.2 c1cc(cc(c1)N)C#N A13995 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.2 c1cc(cc(c1)N)CO L07847 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.2 c1cc(cc(c1)O)C#N B21702 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.2 c1cc(cc(c1)O)C=O A13541 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.2 c1cc(cc(c1)O)CN H35708 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.2 c1cc(cc(c1)O)CO A15981 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.6 B(c1ccccc1)(O)O A14257 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.6 B(c1ccccc1)(O)O L19459 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.6 CC(=C)c1ccccc1 L03609 [1,1,0,0,0,0|1,0,0]=3 897 B9R1.6 CC(=O)c1ccccc1 A12727 [1,1,0,0,0,0|1,0,0]=3 898 B9R1.6 CC(=O)c1ccccn1 A12688 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.6 CC(=O)c1cccnc1 A14246 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.6 CC(=O)c1ccncc1 A12015 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.6 CC(C)c1ccccc1 A11864 [1,1,0,0,0,0|1,0,0]=3 902 B9R1.6 CC(c1ccccc1)Br A16839 [1,1,0,0,0,0|1,0,0]=3 903 B9R1.6 CC(c1ccccc1)N A15711 [1,1,0,0,0,0|1,0,0]=3 904 B9R1.6 CC(c1ccccc1)O A13837 [1,1,0,0,0,0|1,0,0]=3 905 B9R1.6 CC(c1ccccc1)S H26345 [1,1,0,0,0,0|1,0,0]=3 906 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,1,0,0,0,0|1,0,0]=3 907 B9R1.6 CC(c1ccccn1)N H26046 [1,1,0,0,0,0|2,0,0]=4 908 B9R1.6 CC(c1cccnc1)N H26047 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.6 CC(c1ccncc1)N H50303 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.6 CC(c1ccncc1)O H58711 [1,1,0,0,0,0|2,0,0]=4 911 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [1,1,0,0,0,0|2,0,0]=4 912 B9R1.6 CN(C)c1ccccc1 A11916 [1,1,0,0,0,0|1,0,0]=3 913 B9R1.6 CN(C)c1ccccn1 L02513 [1,1,0,0,0,0|2,0,0]=4 914 B9R1.6 CN(C)c1ccncc1 A13016 [1,1,0,0,0,0|2,0,0]=4 915 B9R1.6 CN(C)c1ccncc1 H51715 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.6 CN(c1ccccc1)N B22440 [1,1,0,0,0,0|1,0,0]=3 917 B9R1.6 CP(C)c1ccccc1 A17975 [1,1,0,0,0,0|1,0,0]=3 918 B9R1.6 CS(=O)c1ccccc1 A15009 [1,1,0,0,0,0|0,1,0]=3 919 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,1,0,0,0,0|1,0,0]=3 920 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,1,0,0,0,0|1,0,0]=3 921 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,1,0,0,0,0|1,0,0]=3 922 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,1,0,0,0,0|1,0,0]=3 923 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,1,0,0,0,0|1,0,0]=3 924 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,1,0,0,0,0|1,0,0]=3 925 B9R1.6 C[C@H](c1ccncc1)O H51033 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,1,0,0,0,0|1,0,0]=3 927 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,1,0,0,0,0|2,0,0]=4 928 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,1,0,0,0,0|2,0,0]=4 929 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,1,0,0,0,0|2,0,0]=4 930 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,1,0,0,0,0|2,0,0]=4 931 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,1,0,0,0,0|2,0,0]=4 936 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.6 c1ccc(cc1)P(=O)O A17453 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [1,1,0,0,0,0|1,1,0]=4 950 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [1,1,0,0,0,0|1,1,0]=4 951 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [1,1,0,0,0,0|1,1,0]=4 952 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [1,1,0,0,0,0|2,0,0]=4 954 B9R1.8 C#CCc1ccccc1 H53500 [1,1,0,0,0,0|1,0,1]=4 955 B9R1.8 C=CCc1ccccc1 A12965 [1,1,0,0,0,0|1,0,1]=4 956 B9R1.8 CC#Cc1ccccc1 A14272 [1,1,0,0,0,0|1,0,0]=3 957 B9R1.8 CCCc1ccccc1 B21468 [1,1,0,0,0,0|1,0,0]=3 958 B9R1.8 CCNc1ccccc1 A15060 [1,1,0,0,0,0|1,0,0]=3 959 B9R1.8 CCOc1ccccc1 A15501 [1,1,0,0,0,0|0,0,0]=2 960 B9R1.8 CCOc1ccccn1 L05649 [1,1,0,0,0,0|1,0,0]=3 961 B9R1.8 CCOc1cnccn1 B25219 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.8 CCSc1ccccc1 A13987 [1,1,0,0,0,0|0,1,0]=3 963 B9R1.8 CNCc1ccccc1 A13746 [1,1,0,0,0,0|1,0,0]=3 964 B9R1.8 CNCc1cccnc1 H50262 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.8 COCc1ccccc1 B23490 [1,1,0,0,0,0|0,0,0]=2 966 B9R1.8 C\N=C\c1ccccc1 B25161 [1,1,0,0,0,0|1,0,0]=3 967 B9R1.8 c1cc(cnc1)CCN L16311 [1,1,0,0,0,0|2,0,0]=4 968 B9R1.8 c1ccc(cc1)CC#N A10694 [1,1,0,0,0,0|1,0,1]=4 969 B9R1.8 c1ccc(cc1)CC=O A14263 [1,1,0,0,0,0|1,0,1]=4 970 B9R1.8 c1ccc(cc1)CCBr A12528 [1,1,0,0,0,0|1,0,0]=3 971 B9R1.8 c1ccc(cc1)CCCl L04891 [1,1,0,0,0,0|1,0,0]=3 972 B9R1.8 c1ccc(cc1)CCN A13402 [1,1,0,0,0,0|1,0,0]=3 973 B9R1.8 c1ccc(cc1)CCO A15241 [1,1,0,0,0,0|1,0,0]=3 974 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,1,0,0,0,0|1,0,0]=3 975 B9R1.8 c1ccc(cc1)CNN H54916 [1,1,0,0,0,0|2,0,0]=4 976 B9R1.8 c1ccc(cc1)CON A17393 [1,1,0,0,0,0|1,0,0]=3 977 B9R1.8 c1ccc(cc1)CON L13601 [1,1,0,0,0,0|1,0,0]=3 978 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,1,0,0,0,0|1,0,1]=4 979 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,1,0,0,0,0|1,0,1]=4 980 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,1,0,0,0,0|1,1,0]=4 981 B9R1.8 c1ccc(cc1)NC=O A12472 [1,1,0,0,0,0|1,0,1]=4 982 B9R1.8 c1ccc(cc1)OC=O L00289 [1,1,0,0,0,0|0,0,1]=3 983 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,1,0,0,0,0|0,1,1]=4 984 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,1,0,0,0,0|1,0,1]=4 985 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,1,0,0,0,0|2,0,0]=4 986 B9R1.8 c1ccnc(c1)CCN L05627 [1,1,0,0,0,0|2,0,0]=4 987 B9R1.8 c1ccnc(c1)CCO B23579 [1,1,0,0,0,0|2,0,0]=4 988 B9R1.8 c1cnccc1CCN H27545 [1,1,0,0,0,0|2,0,0]=4 989 B9R1.8 c1cnccc1CCO L13780 [1,1,0,0,0,0|2,0,0]=4 990 B9R1.15 C#Cc1ccccc1Cl H53441 [1,1,0,0,0,0|1,0,1]=4 991 B9R1.15 C#Cc1ccccc1F H60596 [1,1,0,0,0,0|1,0,1]=4 992 B9R1.15 C=Cc1ccccc1Br B24181 [1,1,0,0,0,0|1,0,1]=4 993 B9R1.15 C=Cc1ccccc1Cl B21551 [1,1,0,0,0,0|1,0,1]=4 994 B9R1.15 C=Cc1ccccc1F A17425 [1,1,0,0,0,0|1,0,1]=4 995 B9R1.15 CCc1ccccc1Br B23449 [1,1,0,0,0,0|1,0,0]=3 996 B9R1.15 CCc1ccccc1C L02028 [1,1,0,0,0,0|1,0,0]=3 997 B9R1.15 CCc1ccccc1I A14509 [1,1,0,0,0,0|1,0,0]=3 998 B9R1.15 CCc1ccccc1N A14984 [1,1,0,0,0,0|1,0,0]=3 999 B9R1.15 CCc1ccccc1O L01637 [1,1,0,0,0,0|1,0,0]=3 1000 B9R1.15 CCc1ccccc1S L11498 [1,1,0,0,0,0|1,0,0]=3 1001 B9R1.15 CCc1ccccc1[Zn+] H58221 [1,1,0,0,0,0|1,0,0]=3 1002 B9R1.15 CCc1cnccc1C B21406 [1,1,0,0,0,0|2,0,0]=4 1003 B9R1.15 CNc1ccccc1Br H55166 [1,1,0,0,0,0|1,0,0]=3 1004 B9R1.15 CNc1ccccc1Cl A14343 [1,1,0,0,0,0|1,0,0]=3 1005 B9R1.15 COc1c(cccn1)Br H27279 [1,1,0,0,0,0|1,0,0]=3 1006 B9R1.15 COc1c(cccn1)Cl H27526 [1,1,0,0,0,0|1,0,0]=3 1007 B9R1.15 COc1c(cccn1)F H31901 [1,1,0,0,0,0|1,0,0]=3 1008 B9R1.15 COc1c(cccn1)I H50059 [1,1,0,0,0,0|1,0,0]=3 1009 B9R1.15 COc1ccc[nH]c1=O L07080 [1,1,0,0,0,0|1,0,0]=3 1010 B9R1.15 COc1ccccc1Br A11692 [1,1,0,0,0,0|0,0,0]=2 1011 B9R1.15 COc1ccccc1Cl L06952 [1,1,0,0,0,0|0,0,0]=2 1012 B9R1.15 COc1ccccc1F A12380 [1,1,0,0,0,0|0,0,0]=2 1013 B9R1.15 COc1ccccc1I A10150 [1,1,0,0,0,0|0,0,0]=2 1014 B9R1.15 COc1ccccc1N A10288 [1,1,0,0,0,0|0,0,0]=2 1015 B9R1.15 COc1ccccc1O A16319 [1,1,0,0,0,0|0,0,0]=2 1016 B9R1.15 COc1ccccc1S L09689 [1,1,0,0,0,0|0,0,0]=2 1017 B9R1.15 COc1ccccc1[Mg+] H54579 [1,1,0,0,0,0|0,0,0]=2 1018 B9R1.15 COc1ccccc1[Zn+] H58341 [1,1,0,0,0,0|0,0,0]=2 1019 B9R1.15 COc1cccnc1Cl L17696 [1,1,0,0,0,0|1,0,0]=3 1020 B9R1.15 COc1cccnc1I L19868 [1,1,0,0,0,0|1,0,0]=3 1021 B9R1.15 COc1ccncc1Br H64296 [1,1,0,0,0,0|1,0,0]=3 1022 B9R1.15 COc1ccncc1Cl H64298 [1,1,0,0,0,0|1,0,0]=3 1023 B9R1.15 COc1ccncc1F H64603 [1,1,0,0,0,0|1,0,0]=3 1024 B9R1.15 CSc1ccccc1Br A13632 [1,1,0,0,0,0|0,1,0]=3 1025 B9R1.15 CSc1ccccc1I A14051 [1,1,0,0,0,0|0,1,0]=3 1026 B9R1.15 CSc1ccccc1N A12762 [1,1,0,0,0,0|0,1,0]=3 1027 B9R1.15 CSc1ccccc1O L10128 [1,1,0,0,0,0|0,1,0]=3 1028 B9R1.15 Cc1c(nccn1)OC L08067 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.15 Cc1ccccc1C#N B22231 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.15 Cc1ccccc1C=C A12676 [1,1,0,0,0,0|1,0,1]=4 1031 B9R1.15 Cc1ccccc1C=O A10172 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.15 Cc1ccccc1CBr B21717 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.15 Cc1ccccc1CCl A13448 [1,1,0,0,0,0|2,0,0]=4 1034 B9R1.15 Cc1ccccc1CN L05243 [1,1,0,0,0,0|2,0,0]=4 1035 B9R1.15 Cc1ccccc1CO A12696 [1,1,0,0,0,0|2,0,0]=4 1036 B9R1.15 Cc1ccccc1CS A15816 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.15 Cc1ccccc1C[Mg+] H54170 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.15 Cc1ccccc1NN A15767 [1,1,0,0,0,0|2,0,0]=4 1039 B9R1.15 Cc1ccccc1OC A13897 [1,1,0,0,0,0|0,0,0]=2 1040 B9R1.15 c1ccc(c(c1)C#N)Br A10679 [1,1,0,0,0,0|2,0,0]=4 1041 B9R1.15 c1ccc(c(c1)C#N)Cl B20451 [1,1,0,0,0,0|2,0,0]=4 1042 B9R1.15 c1ccc(c(c1)C#N)F A14375 [1,1,0,0,0,0|2,0,0]=4 1043 B9R1.15 c1ccc(c(c1)C#N)N A12286 [1,1,0,0,0,0|2,0,0]=4 1044 B9R1.15 c1ccc(c(c1)C#N)O A13606 [1,1,0,0,0,0|2,0,0]=4 1045 B9R1.15 c1ccc(c(c1)C#N)[Zn+] H58272 [1,1,0,0,0,0|2,0,0]=4 1046 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [1,1,0,0,0,0|2,0,0]=4 1047 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [1,1,0,0,0,0|2,0,0]=4 1048 B9R1.15 c1ccc(c(c1)C=O)F A13800 [1,1,0,0,0,0|2,0,0]=4 1049 B9R1.15 c1ccc(c(c1)C=O)I L17446 [1,1,0,0,0,0|2,0,0]=4 1050 B9R1.15 c1ccc(c(c1)C=O)O A13833 [1,1,0,0,0,0|2,0,0]=4 1051 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.15 c1ccc(c(c1)CBr)F A12692 [1,1,0,0,0,0|2,0,0]=4 1054 B9R1.15 c1ccc(c(c1)CBr)I B21715 [1,1,0,0,0,0|2,0,0]=4 1055 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [1,1,0,0,0,0|2,0,0]=4 1056 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [1,1,0,0,0,0|2,0,0]=4 1057 B9R1.15 c1ccc(c(c1)CCl)F A11566 [1,1,0,0,0,0|2,0,0]=4 1058 B9R1.15 c1ccc(c(c1)CN)Br A12412 [1,1,0,0,0,0|2,0,0]=4 1059 B9R1.15 c1ccc(c(c1)CN)Br A18151 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.15 c1ccc(c(c1)CN)F A15623 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.15 c1ccc(c(c1)CO)Br A15700 [1,1,0,0,0,0|2,0,0]=4 1063 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [1,1,0,0,0,0|2,0,0]=4 1064 B9R1.15 c1ccc(c(c1)CO)F A14791 [1,1,0,0,0,0|2,0,0]=4 1065 B9R1.15 c1ccc(c(c1)CO)I L15126 [1,1,0,0,0,0|2,0,0]=4 1066 B9R1.15 c1ccc(c(c1)CO)N A13180 [1,1,0,0,0,0|2,0,0]=4 1067 B9R1.15 c1ccc(c(c1)CO)O A14410 [1,1,0,0,0,0|2,0,0]=4 1068 B9R1.15 c1ccc(c(c1)CO)S L11536 [1,1,0,0,0,0|2,0,0]=4 1069 B9R1.15 c1ccc(c(c1)CS)Br H26247 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [1,1,0,0,0,0|2,0,0]=4 1071 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [1,1,0,0,0,0|2,0,0]=4 1072 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [1,1,0,0,0,0|2,0,0]=4 1073 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [1,1,0,0,0,0|2,0,0]=4 1074 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [1,1,0,0,0,0|2,0,0]=4 1075 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [1,1,0,0,0,0|2,0,0]=4 1076 B9R1.15 c1ccc(c(c1)NN)Br B23966 [1,1,0,0,0,0|2,0,0]=4 1077 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [1,1,0,0,0,0|2,0,0]=4 1078 B9R1.15 c1ccc(c(c1)NN)F A13716 [1,1,0,0,0,0|2,0,0]=4 1079 B9R1.69 C1=CC(=O)C(=CC1=O)Cl B21395 [1,1,0,0,0,0|1,0,1]=4 1080 B9R1.69 CC1=CC(=O)C=CC1=O 36670 [1,1,0,0,0,0|1,0,1]=4 1081 B9R1.69 Cc1c(cc(cn1)Br)N H54665 [1,1,0,0,0,0|2,0,0]=4 1082 B9R1.69 Cc1c(ccc(n1)O)Br H59227 [1,1,0,0,0,0|2,0,0]=4 1083 B9R1.69 Cc1c(ccc(n1)O)I H27381 [1,1,0,0,0,0|2,0,0]=4 1084 B9R1.69 Cc1cc(c(nc1)Br)Br H56438 [1,1,0,0,0,0|2,0,0]=4 1085 B9R1.69 Cc1cc(c(nc1)Br)F H61954 [1,1,0,0,0,0|2,0,0]=4 1086 B9R1.69 Cc1cc(c(nc1)Br)I H27362 [1,1,0,0,0,0|2,0,0]=4 1087 B9R1.69 Cc1cc(c(nc1)Br)N H31613 [1,1,0,0,0,0|2,0,0]=4 1088 B9R1.69 Cc1cc(c(nc1)C)C B23537 [1,1,0,0,0,0|1,0,0]=3 1089 B9R1.69 Cc1cc(c(nc1)Cl)F H61972 [1,1,0,0,0,0|2,0,0]=4 1090 B9R1.69 Cc1cc(c(nc1)F)Br H61104 [1,1,0,0,0,0|2,0,0]=4 1091 B9R1.69 Cc1cc(c(nc1)N)Br A14090 [1,1,0,0,0,0|2,0,0]=4 1092 B9R1.69 Cc1cc(c(nc1)N)F H64583 [1,1,0,0,0,0|2,0,0]=4 1093 B9R1.69 Cc1cc(c(nc1)N)I H27787 [1,1,0,0,0,0|2,0,0]=4 1094 B9R1.69 Cc1cc(c(nc1)O)Br L19849 [1,1,0,0,0,0|1,0,0]=3 1095 B9R1.69 Cc1cc(c(nc1)O)I H27751 [1,1,0,0,0,0|1,0,0]=3 1096 B9R1.69 Cc1cc(ccc1Br)Br A19418 [1,1,0,0,0,0|2,0,0]=4 1097 B9R1.69 Cc1cc(ccc1Br)Cl A14132 [1,1,0,0,0,0|2,0,0]=4 1098 B9R1.69 Cc1cc(ccc1Br)F A11112 [1,1,0,0,0,0|2,0,0]=4 1099 B9R1.69 Cc1cc(ccc1Br)I B22462 [1,1,0,0,0,0|2,0,0]=4 1100 B9R1.69 Cc1cc(ccc1Br)N A15417 [1,1,0,0,0,0|2,0,0]=4 1101 B9R1.69 Cc1cc(ccc1Br)O L17510 [1,1,0,0,0,0|1,0,0]=3 1102 B9R1.69 Cc1cc(ccc1Cl)Br A10602 [1,1,0,0,0,0|2,0,0]=4 1103 B9R1.69 Cc1cc(ccc1Cl)Cl A13039 [1,1,0,0,0,0|2,0,0]=4 1104 B9R1.69 Cc1cc(ccc1Cl)F A19686 [1,1,0,0,0,0|2,0,0]=4 1105 B9R1.69 Cc1cc(ccc1Cl)N B22234 [1,1,0,0,0,0|2,0,0]=4 1106 B9R1.69 Cc1cc(ccc1Cl)O A17823 [1,1,0,0,0,0|1,0,0]=3 1107 B9R1.69 Cc1cc(ccc1Cl)[Mg+] H54052 [1,1,0,0,0,0|2,0,0]=4 1108 B9R1.69 Cc1cc(ccc1F)Br A10721 [1,1,0,0,0,0|2,0,0]=4 1109 B9R1.69 Cc1cc(ccc1F)Cl L07615 [1,1,0,0,0,0|2,0,0]=4 1110 B9R1.69 Cc1cc(ccc1F)F B22544 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.69 Cc1cc(ccc1F)I L08396 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.69 Cc1cc(ccc1F)N A15482 [1,1,0,0,0,0|2,0,0]=4 1113 B9R1.69 Cc1cc(ccc1F)O L19897 [1,1,0,0,0,0|1,0,0]=3 1114 B9R1.69 Cc1cc(ccc1F)[Mg+] H54585 [1,1,0,0,0,0|2,0,0]=4 1115 B9R1.69 Cc1cc(ccc1I)Br B21878 [1,1,0,0,0,0|2,0,0]=4 1116 B9R1.69 Cc1cc(ccc1I)Cl B21681 [1,1,0,0,0,0|2,0,0]=4 1117 B9R1.69 Cc1cc(ccc1N)Br A15543 [1,1,0,0,0,0|2,0,0]=4 1118 B9R1.69 Cc1cc(ccc1N)Br B25511 [1,1,0,0,0,0|2,0,0]=4 1119 B9R1.69 Cc1cc(ccc1N)F A11609 [1,1,0,0,0,0|2,0,0]=4 1120 B9R1.69 Cc1cc(ccc1N)I L02306 [1,1,0,0,0,0|2,0,0]=4 1121 B9R1.69 Cc1cc(ccc1N)N L07388 [1,1,0,0,0,0|2,0,0]=4 1122 B9R1.69 Cc1cc(ccc1N)O B23152 [1,1,0,0,0,0|1,0,0]=3 1123 B9R1.69 Cc1cc(ccc1O)Br H32307 [1,1,0,0,0,0|1,0,0]=3 1124 B9R1.69 Cc1cc(ccc1O)Cl L04164 [1,1,0,0,0,0|1,0,0]=3 1125 B9R1.69 Cc1cc(ccc1O)F A16032 [1,1,0,0,0,0|1,0,0]=3 1126 B9R1.69 Cc1cc(ccc1O)O B21241 [1,1,0,0,0,0|1,0,0]=3 1127 B9R1.69 Cc1cc(ccc1[Mg+])Cl H54697 [1,1,0,0,0,0|2,0,0]=4 1128 B9R1.69 Cc1cc(ccc1[Mg+])F H54865 [1,1,0,0,0,0|2,0,0]=4 1129 B9R1.69 Cc1cc(ccc1[Zn+])Br H58562 [1,1,0,0,0,0|2,0,0]=4 1130 B9R1.69 Cc1cc(cnc1Br)O H64567 [1,1,0,0,0,0|2,0,0]=4 1131 B9R1.69 Cc1cc(cnc1Cl)O H64986 [1,1,0,0,0,0|2,0,0]=4 1132 B9R1.69 Cc1cc(cnc1O)Br H64253 [1,1,0,0,0,0|2,0,0]=4 1133 B9R1.69 Cc1cc(ncc1Br)O H64674 [1,1,0,0,0,0|2,0,0]=4 1134 B9R1.69 Cc1ccc(c(c1)Br)Br A13351 [1,1,0,0,0,0|1,0,0]=3 1135 B9R1.69 Cc1ccc(c(c1)Br)C A14358 [1,1,0,0,0,0|0,0,0]=2 1136 B9R1.69 Cc1ccc(c(c1)Br)F B21523 [1,1,0,0,0,0|1,0,0]=3 1137 B9R1.69 Cc1ccc(c(c1)Br)N A13818 [1,1,0,0,0,0|1,0,0]=3 1138 B9R1.69 Cc1ccc(c(c1)Br)O B21701 [1,1,0,0,0,0|0,0,0]=2 1139 B9R1.69 Cc1ccc(c(c1)C)Br A10212 [1,1,0,0,0,0|1,0,0]=3 1140 B9R1.69 Cc1ccc(c(c1)C)C 12411 [1,1,0,0,0,0|0,0,0]=2 1141 B9R1.69 Cc1ccc(c(c1)C)Cl B21275 [1,1,0,0,0,0|1,0,0]=3 1142 B9R1.69 Cc1ccc(c(c1)C)I A16878 [1,1,0,0,0,0|1,0,0]=3 1143 B9R1.69 Cc1ccc(c(c1)C)N L02744 [1,1,0,0,0,0|1,0,0]=3 1144 B9R1.69 Cc1ccc(c(c1)C)O A11966 [1,1,0,0,0,0|0,0,0]=2 1145 B9R1.69 Cc1ccc(c(c1)C)S B23161 [1,1,0,0,0,0|0,1,0]=3 1146 B9R1.69 Cc1ccc(c(c1)C)[Mg+] H54134 [1,1,0,0,0,0|1,0,0]=3 1147 B9R1.69 Cc1ccc(c(c1)C)[Zn+] H58149 [1,1,0,0,0,0|1,0,0]=3 1148 B9R1.69 Cc1ccc(c(c1)Cl)Cl A10763 [1,1,0,0,0,0|1,0,0]=3 1149 B9R1.69 Cc1ccc(c(c1)Cl)F H63822 [1,1,0,0,0,0|1,0,0]=3 1150 B9R1.69 Cc1ccc(c(c1)Cl)N B22935 [1,1,0,0,0,0|1,0,0]=3 1151 B9R1.69 Cc1ccc(c(c1)F)Br A19142 [1,1,0,0,0,0|1,0,0]=3 1152 B9R1.69 Cc1ccc(c(c1)F)Cl H32272 [1,1,0,0,0,0|1,0,0]=3 1153 B9R1.69 Cc1ccc(c(c1)F)F 41789 [1,1,0,0,0,0|1,0,0]=3 1154 B9R1.69 Cc1ccc(c(c1)F)I H53491 [1,1,0,0,0,0|1,0,0]=3 1155 B9R1.69 Cc1ccc(c(c1)F)N A16591 [1,1,0,0,0,0|1,0,0]=3 1156 B9R1.69 Cc1ccc(c(c1)F)O H26138 [1,1,0,0,0,0|0,0,0]=2 1157 B9R1.69 Cc1ccc(c(c1)I)C L01055 [1,1,0,0,0,0|0,0,0]=2 1158 B9R1.69 Cc1ccc(c(c1)N)Br H61639 [1,1,0,0,0,0|1,0,0]=3 1159 B9R1.69 Cc1ccc(c(c1)N)C A12682 [1,1,0,0,0,0|0,0,0]=2 1160 B9R1.69 Cc1ccc(c(c1)N)Cl H26209 [1,1,0,0,0,0|1,0,0]=3 1161 B9R1.69 Cc1ccc(c(c1)N)F L13411 [1,1,0,0,0,0|1,0,0]=3 1162 B9R1.69 Cc1ccc(c(c1)N)N B24378 [1,1,0,0,0,0|1,0,0]=3 1163 B9R1.69 Cc1ccc(c(c1)N)O A19546 [1,1,0,0,0,0|0,0,0]=2 1164 B9R1.69 Cc1ccc(c(c1)O)C A17755 [1,1,0,0,0,0|0,0,0]=2 1165 B9R1.69 Cc1ccc(c(c1)O)Cl L00816 [1,1,0,0,0,0|1,0,0]=3 1166 B9R1.69 Cc1ccc(c(c1)O)F B20275 [1,1,0,0,0,0|1,0,0]=3 1167 B9R1.69 Cc1ccc(c(c1)O)N B23560 [1,1,0,0,0,0|1,0,0]=3 1168 B9R1.69 Cc1ccc(c(c1)O)O L04495 [1,1,0,0,0,0|0,0,0]=2 1169 B9R1.69 Cc1ccc(c(c1)S)C B24164 [1,1,0,0,0,0|0,0,0]=2 1170 B9R1.69 Cc1ccc(c(c1)S)S L15003 [1,1,0,0,0,0|0,1,0]=3 1171 B9R1.69 Cc1ccc(c(c1)[Mg+])C H54073 [1,1,0,0,0,0|0,0,0]=2 1172 B9R1.69 Cc1ccc(c(c1)[Zn+])C H58646 [1,1,0,0,0,0|0,0,0]=2 1173 B9R1.69 Cc1ccc(c(n1)Br)F H64900 [1,1,0,0,0,0|2,0,0]=4 1174 B9R1.69 Cc1ccc(c(n1)Br)N H64301 [1,1,0,0,0,0|2,0,0]=4 1175 B9R1.69 Cc1ccc(c(n1)C)N L19842 [1,1,0,0,0,0|2,0,0]=4 1176 B9R1.69 Cc1ccc(c(n1)Cl)Br H64153 [1,1,0,0,0,0|2,0,0]=4 1177 B9R1.69 Cc1ccc(c(n1)Cl)F H64473 [1,1,0,0,0,0|2,0,0]=4 1178 B9R1.69 Cc1ccc(c(n1)Cl)N H64125 [1,1,0,0,0,0|2,0,0]=4 1179 B9R1.69 Cc1ccc(c(n1)F)F H64514 [1,1,0,0,0,0|2,0,0]=4 1180 B9R1.69 Cc1ccc(c(n1)N)Br H66162 [1,1,0,0,0,0|2,0,0]=4 1181 B9R1.69 Cc1ccc(cc1Br)Br H63869 [1,1,0,0,0,0|1,0,0]=3 1182 B9R1.69 Cc1ccc(cc1Br)Cl B25329 [1,1,0,0,0,0|1,0,0]=3 1183 B9R1.69 Cc1ccc(cc1Br)F A12792 [1,1,0,0,0,0|1,0,0]=3 1184 B9R1.69 Cc1ccc(cc1Br)N B24670 [1,1,0,0,0,0|1,0,0]=3 1185 B9R1.69 Cc1ccc(cc1Br)O H28689 [1,1,0,0,0,0|0,0,0]=2 1186 B9R1.69 Cc1ccc(cc1C)Br A14736 [1,1,0,0,0,0|1,0,0]=3 1187 B9R1.69 Cc1ccc(cc1C)Cl A19032 [1,1,0,0,0,0|1,0,0]=3 1188 B9R1.69 Cc1ccc(cc1C)F A18253 [1,1,0,0,0,0|1,0,0]=3 1189 B9R1.69 Cc1ccc(cc1C)I A13232 [1,1,0,0,0,0|1,0,0]=3 1190 B9R1.69 Cc1ccc(cc1C)N A16928 [1,1,0,0,0,0|1,0,0]=3 1191 B9R1.69 Cc1ccc(cc1C)O A10599 [1,1,0,0,0,0|0,0,0]=2 1192 B9R1.69 Cc1ccc(cc1C)S B23168 [1,1,0,0,0,0|0,1,0]=3 1193 B9R1.69 Cc1ccc(cc1C)[Mg+] H54346 [1,1,0,0,0,0|1,0,0]=3 1194 B9R1.69 Cc1ccc(cc1C)[Zn+] H58165 [1,1,0,0,0,0|1,0,0]=3 1195 B9R1.69 Cc1ccc(cc1Cl)Br B22293 [1,1,0,0,0,0|1,0,0]=3 1196 B9R1.69 Cc1ccc(cc1Cl)Cl B24406 [1,1,0,0,0,0|1,0,0]=3 1197 B9R1.69 Cc1ccc(cc1Cl)F B20278 [1,1,0,0,0,0|1,0,0]=3 1198 B9R1.69 Cc1ccc(cc1Cl)I B20974 [1,1,0,0,0,0|1,0,0]=3 1199 B9R1.69 Cc1ccc(cc1Cl)N A15439 [1,1,0,0,0,0|1,0,0]=3 1200 B9R1.69 Cc1ccc(cc1Cl)N H31342 [1,1,0,0,0,0|1,0,0]=3 1201 B9R1.69 Cc1ccc(cc1Cl)O H27385 [1,1,0,0,0,0|0,0,0]=2 1202 B9R1.69 Cc1ccc(cc1Cl)[Mg+] H54075 [1,1,0,0,0,0|1,0,0]=3 1203 B9R1.69 Cc1ccc(cc1F)Br A15891 [1,1,0,0,0,0|1,0,0]=3 1204 B9R1.69 Cc1ccc(cc1F)Cl A14753 [1,1,0,0,0,0|1,0,0]=3 1205 B9R1.69 Cc1ccc(cc1F)F A11667 [1,1,0,0,0,0|1,0,0]=3 1206 B9R1.69 Cc1ccc(cc1F)I A12679 [1,1,0,0,0,0|1,0,0]=3 1207 B9R1.69 Cc1ccc(cc1F)N A14484 [1,1,0,0,0,0|1,0,0]=3 1208 B9R1.69 Cc1ccc(cc1F)O H31864 [1,1,0,0,0,0|0,0,0]=2 1209 B9R1.69 Cc1ccc(cc1F)[Mg+] H54830 [1,1,0,0,0,0|1,0,0]=3 1210 B9R1.69 Cc1ccc(cc1F)[Zn+] H58775 [1,1,0,0,0,0|1,0,0]=3 1211 B9R1.69 Cc1ccc(cc1I)F L06833 [1,1,0,0,0,0|1,0,0]=3 1212 B9R1.69 Cc1ccc(cc1I)N A11485 [1,1,0,0,0,0|1,0,0]=3 1213 B9R1.69 Cc1ccc(cc1N)Cl B21392 [1,1,0,0,0,0|1,0,0]=3 1214 B9R1.69 Cc1ccc(cc1N)F B25381 [1,1,0,0,0,0|1,0,0]=3 1215 B9R1.69 Cc1ccc(cc1N)I L07404 [1,1,0,0,0,0|1,0,0]=3 1216 B9R1.69 Cc1ccc(cc1N)N B23495 [1,1,0,0,0,0|1,0,0]=3 1217 B9R1.69 Cc1ccc(cc1O)Br H26956 [1,1,0,0,0,0|1,0,0]=3 1218 B9R1.69 Cc1ccc(cc1O)Cl B25527 [1,1,0,0,0,0|1,0,0]=3 1219 B9R1.69 Cc1ccc(cc1O)F B25606 [1,1,0,0,0,0|1,0,0]=3 1220 B9R1.69 Cc1ccc(cc1O)N H66252 [1,1,0,0,0,0|1,0,0]=3 1221 B9R1.69 Cc1ccc(cc1[Mg+])Cl H54415 [1,1,0,0,0,0|1,0,0]=3 1222 B9R1.69 Cc1ccc(cc1[Mg+])F H54234 [1,1,0,0,0,0|1,0,0]=3 1223 B9R1.69 Cc1ccc(cc1[Zn+])F H58892 [1,1,0,0,0,0|1,0,0]=3 1224 B9R1.69 Cc1ccc(nc1Cl)Cl H61271 [1,1,0,0,0,0|2,0,0]=4 1225 B9R1.69 Cc1cnc(c(n1)C)C A14870 [1,1,0,0,0,0|2,0,0]=4 1226 B9R1.69 Cc1cnc(cc1Cl)Cl H61634 [1,1,0,0,0,0|2,0,0]=4 1227 B9R1.69 Cc1cnc(cc1I)F H64983 [1,1,0,0,0,0|2,0,0]=4 1228 B9R1.69 c1c(cnc(c1Br)O)Br L19862 [1,1,0,0,0,0|2,0,0]=4 1229 B9R1.69 c1c(cnc(c1Cl)F)O H66400 [1,1,0,0,0,0|2,0,0]=4 1230 B9R1.69 c1c(cnc(c1Cl)O)Br H64370 [1,1,0,0,0,0|2,0,0]=4 1231 B9R1.69 c1c(cnc(c1I)O)Br H33495 [1,1,0,0,0,0|2,0,0]=4 1232 B9R1.69 c1c(cnc(c1N)O)Br H61479 [1,1,0,0,0,0|2,0,0]=4 1233 B9R1.69 c1c(cnc(c1O)O)Cl L07671 [1,1,0,0,0,0|2,0,0]=4 1234 B9R1.69 c1cc(c(cc1Br)Br)Br B23778 [1,1,0,0,0,0|2,0,0]=4 1235 B9R1.69 c1cc(c(cc1Br)Br)F B20955 [1,1,0,0,0,0|2,0,0]=4 1236 B9R1.69 c1cc(c(cc1Br)Br)F L20171 [1,1,0,0,0,0|2,0,0]=4 1237 B9R1.69 c1cc(c(cc1Br)Br)N A13329 [1,1,0,0,0,0|2,0,0]=4 1238 B9R1.69 c1cc(c(cc1Br)Br)O B23394 [1,1,0,0,0,0|1,0,0]=3 1239 B9R1.69 c1cc(c(cc1Br)Cl)Br B23566 [1,1,0,0,0,0|2,0,0]=4 1240 B9R1.69 c1cc(c(cc1Br)Cl)Cl A10314 [1,1,0,0,0,0|2,0,0]=4 1241 B9R1.69 c1cc(c(cc1Br)Cl)F A19782 [1,1,0,0,0,0|2,0,0]=4 1242 B9R1.69 c1cc(c(cc1Br)Cl)I B22185 [1,1,0,0,0,0|2,0,0]=4 1243 B9R1.69 c1cc(c(cc1Br)Cl)N A17859 [1,1,0,0,0,0|2,0,0]=4 1244 B9R1.69 c1cc(c(cc1Br)Cl)O B24803 [1,1,0,0,0,0|1,0,0]=3 1245 B9R1.69 c1cc(c(cc1Br)F)Br B21281 [1,1,0,0,0,0|2,0,0]=4 1246 B9R1.69 c1cc(c(cc1Br)F)Cl A15745 [1,1,0,0,0,0|2,0,0]=4 1247 B9R1.69 c1cc(c(cc1Br)F)F A11934 [1,1,0,0,0,0|2,0,0]=4 1248 B9R1.69 c1cc(c(cc1Br)F)I A15884 [1,1,0,0,0,0|2,0,0]=4 1249 B9R1.69 c1cc(c(cc1Br)F)N A10228 [1,1,0,0,0,0|2,0,0]=4 1250 B9R1.69 c1cc(c(cc1Br)F)O A10804 [1,1,0,0,0,0|1,0,0]=3 1251 B9R1.69 c1cc(c(cc1Br)F)[Zn+] H58320 [1,1,0,0,0,0|2,0,0]=4 1252 B9R1.69 c1cc(c(cc1Br)N)Br A19114 [1,1,0,0,0,0|2,0,0]=4 1253 B9R1.69 c1cc(c(cc1Br)N)Cl H64104 [1,1,0,0,0,0|2,0,0]=4 1254 B9R1.69 c1cc(c(cc1Br)N)F H61678 [1,1,0,0,0,0|2,0,0]=4 1255 B9R1.69 c1cc(c(cc1Br)N)N H26929 [1,1,0,0,0,0|2,0,0]=4 1256 B9R1.69 c1cc(c(cc1Br)N)O H55763 [1,1,0,0,0,0|1,0,0]=3 1257 B9R1.69 c1cc(c(cc1Br)O)Cl B25452 [1,1,0,0,0,0|2,0,0]=4 1258 B9R1.69 c1cc(c(cc1Br)O)F H61518 [1,1,0,0,0,0|2,0,0]=4 1259 B9R1.69 c1cc(c(cc1Cl)Br)Cl A12056 [1,1,0,0,0,0|2,0,0]=4 1260 B9R1.69 c1cc(c(cc1Cl)Br)F H25935 [1,1,0,0,0,0|2,0,0]=4 1261 B9R1.69 c1cc(c(cc1Cl)Br)I B25409 [1,1,0,0,0,0|2,0,0]=4 1262 B9R1.69 c1cc(c(cc1Cl)Br)N L03808 [1,1,0,0,0,0|2,0,0]=4 1263 B9R1.69 c1cc(c(cc1Cl)Br)O A16218 [1,1,0,0,0,0|1,0,0]=3 1264 B9R1.69 c1cc(c(cc1Cl)Cl)Br A12298 [1,1,0,0,0,0|2,0,0]=4 1265 B9R1.69 c1cc(c(cc1Cl)Cl)Cl 19390 [1,1,0,0,0,0|2,0,0]=4 1266 B9R1.69 c1cc(c(cc1Cl)Cl)Cl A10130 [1,1,0,0,0,0|2,0,0]=4 1267 B9R1.69 c1cc(c(cc1Cl)Cl)F A17953 [1,1,0,0,0,0|2,0,0]=4 1268 B9R1.69 c1cc(c(cc1Cl)Cl)I B20683 [1,1,0,0,0,0|2,0,0]=4 1269 B9R1.69 c1cc(c(cc1Cl)Cl)N A10518 [1,1,0,0,0,0|2,0,0]=4 1270 B9R1.69 c1cc(c(cc1Cl)Cl)O A12065 [1,1,0,0,0,0|1,0,0]=3 1271 B9R1.69 c1cc(c(cc1Cl)Cl)S A12384 [1,1,0,0,0,0|1,1,0]=4 1272 B9R1.69 c1cc(c(cc1Cl)Cl)[Zn+] H58653 [1,1,0,0,0,0|2,0,0]=4 1273 B9R1.69 c1cc(c(cc1Cl)F)Br A19570 [1,1,0,0,0,0|2,0,0]=4 1274 B9R1.69 c1cc(c(cc1Cl)F)Cl B21282 [1,1,0,0,0,0|2,0,0]=4 1275 B9R1.69 c1cc(c(cc1Cl)F)F A12924 [1,1,0,0,0,0|2,0,0]=4 1276 B9R1.69 c1cc(c(cc1Cl)F)I A19376 [1,1,0,0,0,0|2,0,0]=4 1277 B9R1.69 c1cc(c(cc1Cl)F)N A16131 [1,1,0,0,0,0|2,0,0]=4 1278 B9R1.69 c1cc(c(cc1Cl)F)O H61416 [1,1,0,0,0,0|1,0,0]=3 1279 B9R1.69 c1cc(c(cc1Cl)I)Cl A14172 [1,1,0,0,0,0|2,0,0]=4 1280 B9R1.69 c1cc(c(cc1Cl)I)N B25457 [1,1,0,0,0,0|2,0,0]=4 1281 B9R1.69 c1cc(c(cc1Cl)N)Cl A11151 [1,1,0,0,0,0|2,0,0]=4 1282 B9R1.69 c1cc(c(cc1Cl)N)F B20951 [1,1,0,0,0,0|2,0,0]=4 1283 B9R1.69 c1cc(c(cc1Cl)N)I B25709 [1,1,0,0,0,0|2,0,0]=4 1284 B9R1.69 c1cc(c(cc1Cl)N)N A10823 [1,1,0,0,0,0|2,0,0]=4 1285 B9R1.69 c1cc(c(cc1Cl)N)O A10135 [1,1,0,0,0,0|1,0,0]=3 1286 B9R1.69 c1cc(c(cc1Cl)N)S B25640 [1,1,0,0,0,0|1,1,0]=4 1287 B9R1.69 c1cc(c(cc1Cl)O)Cl B24787 [1,1,0,0,0,0|2,0,0]=4 1288 B9R1.69 c1cc(c(cc1Cl)O)N H64978 [1,1,0,0,0,0|2,0,0]=4 1289 B9R1.69 c1cc(c(cc1Cl)S)Cl A11434 [1,1,0,0,0,0|2,0,0]=4 1290 B9R1.69 c1cc(c(cc1Cl)[Zn+])Cl H58587 [1,1,0,0,0,0|2,0,0]=4 1291 B9R1.69 c1cc(c(cc1F)Br)Br B20935 [1,1,0,0,0,0|2,0,0]=4 1292 B9R1.69 c1cc(c(cc1F)Br)Cl B25532 [1,1,0,0,0,0|2,0,0]=4 1293 B9R1.69 c1cc(c(cc1F)Br)F A12963 [1,1,0,0,0,0|2,0,0]=4 1294 B9R1.69 c1cc(c(cc1F)Br)I L20144 [1,1,0,0,0,0|2,0,0]=4 1295 B9R1.69 c1cc(c(cc1F)Br)N A11751 [1,1,0,0,0,0|2,0,0]=4 1296 B9R1.69 c1cc(c(cc1F)Br)O A11263 [1,1,0,0,0,0|1,0,0]=3 1297 B9R1.69 c1cc(c(cc1F)Cl)Br B25538 [1,1,0,0,0,0|2,0,0]=4 1298 B9R1.69 c1cc(c(cc1F)Cl)Cl A11357 [1,1,0,0,0,0|2,0,0]=4 1299 B9R1.69 c1cc(c(cc1F)Cl)F A14178 [1,1,0,0,0,0|2,0,0]=4 1300 B9R1.69 c1cc(c(cc1F)Cl)I A12010 [1,1,0,0,0,0|2,0,0]=4 1301 B9R1.69 c1cc(c(cc1F)Cl)N A15492 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.69 c1cc(c(cc1F)Cl)O A10864 [1,1,0,0,0,0|1,0,0]=3 1303 B9R1.69 c1cc(c(cc1F)Cl)S A13498 [1,1,0,0,0,0|1,1,0]=4 1304 B9R1.69 c1cc(c(cc1F)F)Br A14098 [1,1,0,0,0,0|2,0,0]=4 1305 B9R1.69 c1cc(c(cc1F)F)Cl A15495 [1,1,0,0,0,0|2,0,0]=4 1306 B9R1.69 c1cc(c(cc1F)F)F A11424 [1,1,0,0,0,0|2,0,0]=4 1307 B9R1.69 c1cc(c(cc1F)F)I A10798 [1,1,0,0,0,0|2,0,0]=4 1308 B9R1.69 c1cc(c(cc1F)F)N A13673 [1,1,0,0,0,0|2,0,0]=4 1309 B9R1.69 c1cc(c(cc1F)F)O A14044 [1,1,0,0,0,0|1,0,0]=3 1310 B9R1.69 c1cc(c(cc1F)F)S B24726 [1,1,0,0,0,0|1,1,0]=4 1311 B9R1.69 c1cc(c(cc1F)F)[Zn+] H58979 [1,1,0,0,0,0|2,0,0]=4 1312 B9R1.69 c1cc(c(cc1F)I)Br B25289 [1,1,0,0,0,0|2,0,0]=4 1313 B9R1.69 c1cc(c(cc1F)I)F H26890 [1,1,0,0,0,0|2,0,0]=4 1314 B9R1.69 c1cc(c(cc1F)I)N B25499 [1,1,0,0,0,0|2,0,0]=4 1315 B9R1.69 c1cc(c(cc1F)N)Br B24901 [1,1,0,0,0,0|2,0,0]=4 1316 B9R1.69 c1cc(c(cc1F)N)Cl B25618 [1,1,0,0,0,0|2,0,0]=4 1317 B9R1.69 c1cc(c(cc1F)N)F A10272 [1,1,0,0,0,0|2,0,0]=4 1318 B9R1.69 c1cc(c(cc1F)N)I L17723 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.69 c1cc(c(cc1F)N)N A13977 [1,1,0,0,0,0|2,0,0]=4 1320 B9R1.69 c1cc(c(cc1F)N)O H26165 [1,1,0,0,0,0|1,0,0]=3 1321 B9R1.69 c1cc(c(cc1F)O)Br A15064 [1,1,0,0,0,0|2,0,0]=4 1322 B9R1.69 c1cc(c(cc1F)O)Cl H28567 [1,1,0,0,0,0|2,0,0]=4 1323 B9R1.69 c1cc(c(cc1F)O)F A18744 [1,1,0,0,0,0|2,0,0]=4 1324 B9R1.69 c1cc(c(cc1F)O)N H32928 [1,1,0,0,0,0|2,0,0]=4 1325 B9R1.69 c1cc(c(cc1F)[Zn+])F H58202 [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.69 c1cc(c(cc1I)Cl)Cl A13440 [1,1,0,0,0,0|2,0,0]=4 1327 B9R1.69 c1cc(c(cc1I)Cl)F A11808 [1,1,0,0,0,0|2,0,0]=4 1328 B9R1.69 c1cc(c(cc1I)Cl)N A10742 [1,1,0,0,0,0|2,0,0]=4 1329 B9R1.69 c1cc(c(cc1I)F)Br A19190 [1,1,0,0,0,0|2,0,0]=4 1330 B9R1.69 c1cc(c(cc1I)F)F A11339 [1,1,0,0,0,0|2,0,0]=4 1331 B9R1.69 c1cc(c(cc1I)F)N B22450 [1,1,0,0,0,0|2,0,0]=4 1332 B9R1.69 c1cc(c(cc1I)N)N H64469 [1,1,0,0,0,0|2,0,0]=4 1333 B9R1.69 c1cc(c(cc1N)Br)Cl H32115 [1,1,0,0,0,0|2,0,0]=4 1334 B9R1.69 c1cc(c(cc1N)Br)F B25610 [1,1,0,0,0,0|2,0,0]=4 1335 B9R1.69 c1cc(c(cc1N)Cl)Br L03268 [1,1,0,0,0,0|2,0,0]=4 1336 B9R1.69 c1cc(c(cc1N)Cl)Cl A15199 [1,1,0,0,0,0|2,0,0]=4 1337 B9R1.69 c1cc(c(cc1N)Cl)F A11858 [1,1,0,0,0,0|2,0,0]=4 1338 B9R1.69 c1cc(c(cc1N)Cl)I A14256 [1,1,0,0,0,0|2,0,0]=4 1339 B9R1.69 c1cc(c(cc1N)Cl)N B24029 [1,1,0,0,0,0|2,0,0]=4 1340 B9R1.69 c1cc(c(cc1N)Cl)O B23420 [1,1,0,0,0,0|1,0,0]=3 1341 B9R1.69 c1cc(c(cc1N)F)Br B22227 [1,1,0,0,0,0|2,0,0]=4 1342 B9R1.69 c1cc(c(cc1N)F)Cl H26148 [1,1,0,0,0,0|2,0,0]=4 1343 B9R1.69 c1cc(c(cc1N)F)F A13999 [1,1,0,0,0,0|2,0,0]=4 1344 B9R1.69 c1cc(c(cc1N)F)I H61427 [1,1,0,0,0,0|2,0,0]=4 1345 B9R1.69 c1cc(c(cc1N)F)O H25936 [1,1,0,0,0,0|1,0,0]=3 1346 B9R1.69 c1cc(c(cc1N)N)Cl A15430 [1,1,0,0,0,0|2,0,0]=4 1347 B9R1.69 c1cc(c(cc1N)N)F H61476 [1,1,0,0,0,0|2,0,0]=4 1348 B9R1.69 c1cc(c(cc1N)N)N A17758 [1,1,0,0,0,0|2,0,0]=4 1349 B9R1.69 c1cc(c(cc1N)N)O A17697 [1,1,0,0,0,0|1,0,0]=3 1350 B9R1.69 c1cc(c(cc1N)O)Cl H66371 [1,1,0,0,0,0|2,0,0]=4 1351 B9R1.69 c1cc(c(cc1N)O)F H33821 [1,1,0,0,0,0|2,0,0]=4 1352 B9R1.69 c1cc(c(cc1O)Br)F H61702 [1,1,0,0,0,0|1,0,0]=3 1353 B9R1.69 c1cc(c(cc1O)Cl)Br L13801 [1,1,0,0,0,0|1,0,0]=3 1354 B9R1.69 c1cc(c(cc1O)Cl)Cl A12256 [1,1,0,0,0,0|1,0,0]=3 1355 B9R1.69 c1cc(c(cc1O)Cl)F A14382 [1,1,0,0,0,0|1,0,0]=3 1356 B9R1.69 c1cc(c(cc1O)Cl)N A19720 [1,1,0,0,0,0|1,0,0]=3 1357 B9R1.69 c1cc(c(cc1O)Cl)N H66310 [1,1,0,0,0,0|1,0,0]=3 1358 B9R1.69 c1cc(c(cc1O)Cl)O A19554 [1,1,0,0,0,0|1,0,0]=3 1359 B9R1.69 c1cc(c(cc1O)F)Br H32488 [1,1,0,0,0,0|1,0,0]=3 1360 B9R1.69 c1cc(c(cc1O)F)Cl A16029 [1,1,0,0,0,0|1,0,0]=3 1361 B9R1.69 c1cc(c(cc1O)F)F A12596 [1,1,0,0,0,0|1,0,0]=3 1362 B9R1.69 c1cc(c(cc1O)F)N H26084 [1,1,0,0,0,0|1,0,0]=3 1363 B9R1.69 c1cc(c(cc1O)I)Cl B25547 [1,1,0,0,0,0|1,0,0]=3 1364 B9R1.69 c1cc(c(cc1O)N)Cl H55826 [1,1,0,0,0,0|1,0,0]=3 1365 B9R1.69 c1cc(c(cc1O)N)F H61829 [1,1,0,0,0,0|1,0,0]=3 1366 B9R1.69 c1cc(c(cc1O)O)Br H66087 [1,1,0,0,0,0|1,0,0]=3 1367 B9R1.69 c1cc(c(cc1O)O)Cl B24076 [1,1,0,0,0,0|1,0,0]=3 1368 B9R1.69 c1cc(c(cc1O)O)F H60426 [1,1,0,0,0,0|1,0,0]=3 1369 B9R1.69 c1cc(c(cc1O)O)O A13069 [1,1,0,0,0,0|1,0,0]=3 1370 B9R1.69 c1cc(c(cc1S)Cl)Cl L12031 [1,1,0,0,0,0|1,1,0]=4 1371 B9R1.69 c1cc(c(cc1S)Cl)F A10856 [1,1,0,0,0,0|1,1,0]=4 1372 B9R1.69 c1cc(c(cc1S)F)F H60299 [1,1,0,0,0,0|1,1,0]=4 1373 B9R1.69 c1cc(c(cc1[Mg+])Cl)Cl H54621 [1,1,0,0,0,0|2,0,0]=4 1374 B9R1.69 c1cc(c(cc1[Mg+])Cl)F H54700 [1,1,0,0,0,0|2,0,0]=4 1375 B9R1.69 c1cc(c(cc1[Mg+])F)Cl H54018 [1,1,0,0,0,0|2,0,0]=4 1376 B9R1.69 c1cc(c(cc1[Mg+])F)F H54197 [1,1,0,0,0,0|2,0,0]=4 1377 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl H58566 [1,1,0,0,0,0|2,0,0]=4 1378 B9R1.69 c1cc(c(cc1[Zn+])Cl)F H58698 [1,1,0,0,0,0|2,0,0]=4 1379 B9R1.69 c1cc(c(cc1[Zn+])F)F H58478 [1,1,0,0,0,0|2,0,0]=4 1380 B9R1.69 c1cc(nc(c1O)I)Cl H33127 [1,1,0,0,0,0|2,0,0]=4 1381 B9R1.35 CC1=CC(=CC1)C(C)C L19126 [0,1,0,0,1,0|1,0,1]=4 1382 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,1,0,0,1,0|2,0,0]=4 1383 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,1,0,0,1,0|2,0,0]=4 1384 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,1,0,0,1,0|2,0,0]=4 1385 B11R1.1 CCCC[n+]1ccc(cc1)C H27100 [0,2,0,0,0,0|2,0,0]=4 1386 B11R1.1 CCCC[n+]1ccc(cc1)C H27355 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.1 CCCCc1ccc(cc1)Br B23979 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.1 CCCCc1ccc(cc1)Cl B24138 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.1 CCCCc1ccc(cc1)I A14421 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.1 CCCCc1ccc(cc1)N B25234 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.1 CCCCc1ccc(cc1)O A12812 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.1 CCCOc1ccc(cc1)Br A11462 [0,2,0,0,0,0|1,0,0]=3 1393 B11R1.1 CCCOc1ccc(cc1)N H55096 [0,2,0,0,0,0|1,0,0]=3 1394 B11R1.1 CCCOc1ccc(cc1)O B22266 [0,2,0,0,0,0|1,0,0]=3 1395 B11R1.1 CCNCc1ccc(cc1)F H56689 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.1 COCCc1ccc(cc1)O B23548 [0,2,0,0,0,0|1,0,0]=3 1397 B11R1.1 Cc1ccc(cc1)CN=C=S L11135 [0,2,0,0,0,0|1,0,1]=4 1398 B11R1.1 Cc1ccc(cc1)OCC#N A19926 [0,2,0,0,0,0|0,0,0]=2 1399 B11R1.1 c1cc(ccc1CCC#N)O L07934 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.1 c1cc(ccc1CCCO)Br H61118 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.1 c1cc(ccc1F)SCC#N B20526 [0,2,0,0,0,0|1,1,0]=4 1402 B11R1.1 c1cc(ccc1OCC#N)Br H50595 [0,2,0,0,0,0|1,0,0]=3 1403 B11R1.1 c1cc(ccc1OCC#N)Cl A15389 [0,2,0,0,0,0|1,0,0]=3 1404 B11R1.1 c1cc(ccc1OCCBr)F H52403 [0,2,0,0,0,0|1,0,0]=3 1405 B11R1.1 c1cc(ccc1OCCN)F H31410 [0,2,0,0,0,0|1,0,0]=3 1406 B11R1.1 c1cc(ccc1OCCO)Cl A14508 [0,2,0,0,0,0|1,0,0]=3 1407 B11R1.1 c1cc(ccc1SCC#N)Cl A12319 [0,2,0,0,0,0|1,1,0]=4 1408 B11R1.20 CC(=O)Cc1ccc(cc1)Br A19028 [0,2,0,0,0,0|2,0,0]=4 1409 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [0,2,0,0,0,0|2,0,0]=4 1410 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [0,2,0,0,0,0|2,0,0]=4 1411 B11R1.20 CC(=O)Nc1ccc(cc1)Br L02924 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [0,2,0,0,0,0|2,0,0]=4 1413 B11R1.20 CC(=O)Nc1ccc(cc1)F A18974 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.20 CC(=O)Nc1ccc(cc1)N A13937 [0,2,0,0,0,0|2,0,0]=4 1415 B11R1.20 CC(=O)Nc1ccc(cc1)N B20740 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [0,2,0,0,0,0|2,0,0]=4 1417 B11R1.20 CC(=O)Nc1ccc(cc1)S B23932 [0,2,0,0,0,0|2,0,0]=4 1418 B11R1.20 CC(=O)Oc1ccc(cc1)F B21356 [0,2,0,0,0,0|1,0,0]=3 1419 B11R1.20 CC(C)Cc1ccc(cc1)[Mg+] H54201 [0,2,0,0,0,0|2,0,0]=4 1420 B11R1.20 CC(C)Oc1ccc(cn1)Br H32564 [0,2,0,0,0,0|2,0,0]=4 1421 B11R1.20 CC(C)Oc1ccc(cn1)I H50140 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.20 CC(Cc1ccc(cc1)F)N H51016 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [0,2,0,0,0,0|1,0,0]=3 1424 B11R1.20 Cc1ccc(cc1)CC(=O)Cl H37997 [0,2,0,0,0,0|1,0,1]=4 1425 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,2,0,0,0,0|1,0,1]=4 1426 B11R1.20 Cc1ccc(cc1)CC(=S)N H26278 [0,2,0,0,0,0|1,0,1]=4 1427 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [0,2,0,0,0,0|1,0,0]=3 1428 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [0,2,0,0,0,0|1,0,1]=4 1429 B11R1.20 Cc1ccc(cc1)NC(=S)N A11098 [0,2,0,0,0,0|1,0,1]=4 1430 B11R1.20 Cc1ccc(cc1)OC(=S)Cl B23501 [0,2,0,0,0,0|0,0,1]=3 1431 B11R1.20 c1cc(ccc1N)OC(F)F B20349 [0,2,0,0,0,0|1,0,0]=3 1432 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl 31175 [0,2,0,0,0,0|1,0,1]=4 1433 B11R1.20 c1cc(ccc1OC(F)F)Br B20106 [0,2,0,0,0,0|1,0,0]=3 1434 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,2,0,0,0,0|2,0,0]=4 1435 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,2,0,0,0,0|1,0,0]=3 1436 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,2,0,0,0,0|2,0,0]=4 1437 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,2,0,0,0,0|2,0,0]=4 1439 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,2,0,0,0,0|2,0,0]=4 1440 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,2,0,0,0,0|1,0,0]=3 1443 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,2,0,0,0,0|1,0,0]=3 1444 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,2,0,0,0,0|1,0,0]=3 1445 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,2,0,0,0,0|1,0,0]=3 1446 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,2,0,0,0,0|1,0,0]=3 1447 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,2,0,0,0,0|1,0,0]=3 1448 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,2,0,0,0,0|2,0,0]=4 1449 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,2,0,0,0,0|2,0,0]=4 1450 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,2,0,0,0,0|2,0,0]=4 1452 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,2,0,0,0,0|1,0,0]=3 1453 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,2,0,0,0,0|1,0,0]=3 1454 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,2,0,0,0,0|0,0,0]=2 1456 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N H51704 [0,2,0,0,0,0|2,0,0]=4 1457 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,2,0,0,0,0|1,0,0]=3 1458 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,2,0,0,0,0|2,0,0]=4 1461 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,2,0,0,0,0|2,0,0]=4 1464 B11R1.81 CNCc1ccc(cc1Cl)Cl H63409 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.81 Cc1ccc(c(c1)Br)N=C=S L09413 [0,2,0,0,0,0|1,0,1]=4 1466 B11R1.81 Cc1ccc(c(c1)C)N=C=O L11126 [0,2,0,0,0,0|1,0,1]=4 1467 B11R1.81 Cc1ccc(c(c1)C)N=C=S L11665 [0,2,0,0,0,0|1,0,1]=4 1468 B11R1.81 c1cc(c(cc1Cl)Cl)CCO H64345 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.83 C#Cc1ccc(cc1)CC#N H61122 [0,2,0,0,0,0|1,0,1]=4 1470 B11R1.83 CCCc1ccc(cc1)C#C B25065 [0,2,0,0,0,0|1,0,1]=4 1471 B11R1.83 CCOc1ccc(cc1)C#N A19806 [0,2,0,0,0,0|0,0,1]=3 1472 B11R1.83 CCOc1ccc(cc1)C=C L07209 [0,2,0,0,0,0|0,0,1]=3 1473 B11R1.83 CCOc1ccc(cc1)C=O A11987 [0,2,0,0,0,0|0,0,1]=3 1474 B11R1.83 CCOc1ccc(cc1)CO A10331 [0,2,0,0,0,0|0,0,0]=2 1475 B11R1.83 CCSc1ccc(cc1)C=O L17624 [0,2,0,0,0,0|0,1,1]=4 1476 B11R1.83 CCc1ccc(cc1)CC#N L10855 [0,2,0,0,0,0|1,0,0]=3 1477 B11R1.83 CCc1ccc(cc1)N=C=O L12718 [0,2,0,0,0,0|1,0,1]=4 1478 B11R1.83 CCc1ccc(cc1)N=C=S B24353 [0,2,0,0,0,0|1,0,1]=4 1479 B11R1.83 CCc1ccc(nc1)CCO L19482 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.83 CNCc1ccc(cc1)C#N H63890 [0,2,0,0,0,0|1,0,1]=4 1481 B11R1.83 CNCc1ccc(cc1)OC H55776 [0,2,0,0,0,0|0,0,0]=2 1482 B11R1.83 COc1ccc(cc1)CC#N A15056 [0,2,0,0,0,0|0,0,0]=2 1483 B11R1.83 COc1ccc(cc1)CC=C B23311 [0,2,0,0,0,0|0,0,0]=2 1484 B11R1.83 COc1ccc(cc1)CCO L06158 [0,2,0,0,0,0|0,0,0]=2 1485 B11R1.83 COc1ccc(cc1)CC[Mg+] H54945 [0,2,0,0,0,0|0,0,0]=2 1486 B11R1.83 COc1ccc(cc1)CON H63312 [0,2,0,0,0,0|0,0,0]=2 1487 B11R1.83 COc1ccc(cc1)N=C=O A16805 [0,2,0,0,0,0|0,0,1]=3 1488 B11R1.83 COc1ccc(cc1)N=C=S A15331 [0,2,0,0,0,0|0,0,1]=3 1489 B11R1.83 CSc1ccc(cc1)N=C=O L12263 [0,2,0,0,0,0|0,1,1]=4 1490 B11R1.83 CSc1ccc(cc1)N=C=S L09270 [0,2,0,0,0,0|0,1,1]=4 1491 B11R1.83 C\C=C\c1ccc(cc1)OC A13482 [0,2,0,0,0,0|0,0,0]=2 1492 B11R1.83 c1cc(ccc1CC#N)C#N H54112 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.83 c1cc(ccc1CCO)C#N 41283 [0,2,0,0,0,0|1,0,1]=4 1494 B11R1.83 c1cc(ccc1CCl)N=C=O L18711 [0,2,0,0,0,0|1,0,1]=4 1495 B11R1.192 CCOc1ccc(c(c1)F)F B25590 [0,2,0,0,0,0|1,0,0]=3 1496 B11R1.192 CCOc1ccc(c(c1)F)N H33706 [0,2,0,0,0,0|1,0,0]=3 1497 B11R1.192 Cc1ccc(cc1C)N=C=O L15998 [0,2,0,0,0,0|1,0,1]=4 1498 B11R1.192 Cc1ccc(cc1Cl)N=C=O L12064 [0,2,0,0,0,0|1,0,1]=4 1499 B11R1.192 Cc1ccc(cc1Cl)N=C=S A19092 [0,2,0,0,0,0|1,0,1]=4 1500 B11R1.192 c1cc(c(cc1CCN)O)O A11136 [0,2,0,0,0,0|2,0,0]=4 1501 B11R1.192 c1cc(c(cc1CCO)Cl)F H32291 [0,2,0,0,0,0|2,0,0]=4 1502 B11R1.192 c1cc(c(cc1CCO)F)F H31710 [0,2,0,0,0,0|2,0,0]=4 1503 B11R1.3 B(c1ccc(cc1)CBr)(O)O L19953 [0,2,0,0,0,0|2,0,0]=4 1504 B11R1.3 B(c1ccc(cc1)CC)(O)O B24656 [0,2,0,0,0,0|2,0,0]=4 1505 B11R1.3 B(c1ccc(cc1)CCl)(O)O H53328 [0,2,0,0,0,0|2,0,0]=4 1506 B11R1.3 B(c1ccc(cc1)CN)(O)O H52855 [0,2,0,0,0,0|2,0,0]=4 1507 B11R1.3 B(c1ccc(cc1)CO)(O)O L15194 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.3 B(c1ccc(cc1)OC)(O)O A14462 [0,2,0,0,0,0|1,0,0]=3 1509 B11R1.3 B(c1ccc(cc1)SC)(O)O B23454 [0,2,0,0,0,0|1,1,0]=4 1510 B11R1.3 B(c1ccc(nc1)OC)(O)O H52532 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.3 B(c1ccc(nc1)OC)(O)O L20087 [0,2,0,0,0,0|2,0,0]=4 1512 B11R1.3 CC(=O)c1ccc(cc1)C#N A14271 [0,2,0,0,0,0|1,0,1]=4 1513 B11R1.3 CC(=O)c1ccc(cc1)NC H55301 [0,2,0,0,0,0|1,0,0]=3 1514 B11R1.3 CC(=O)c1ccc(cc1)OC A11162 [0,2,0,0,0,0|0,0,0]=2 1515 B11R1.3 CC(=O)c1ccc(cc1)SC L18074 [0,2,0,0,0,0|0,1,0]=3 1516 B11R1.3 CC(C)c1ccc(cc1)C#N A11954 [0,2,0,0,0,0|1,0,1]=4 1517 B11R1.3 CC(C)c1ccc(cc1)C=O A14019 [0,2,0,0,0,0|1,0,1]=4 1518 B11R1.3 CC(C)c1ccc(cc1)CCl L11839 [0,2,0,0,0,0|1,0,0]=3 1519 B11R1.3 CC(C)c1ccc(cc1)CN H54044 [0,2,0,0,0,0|1,0,0]=3 1520 B11R1.3 CC(C)c1ccc(cc1)CO A12172 [0,2,0,0,0,0|1,0,0]=3 1521 B11R1.3 CC(C)c1ccc(cc1)NN A12416 [0,2,0,0,0,0|2,0,0]=4 1522 B11R1.3 CC(C)c1ccc(cc1)OC A16970 [0,2,0,0,0,0|0,0,0]=2 1523 B11R1.3 CC(C)c1ccc(cc1)OO L06866 [0,2,0,0,0,0|1,0,0]=3 1524 B11R1.3 CC(c1ccc(cc1)OC)O L12062 [0,2,0,0,0,0|0,0,0]=2 1525 B11R1.3 CCc1ccc(cc1)C(=O)C B21557 [0,2,0,0,0,0|1,0,0]=3 1526 B11R1.3 CCc1ccc(cc1)C(=O)Cl A11698 [0,2,0,0,0,0|1,0,1]=4 1527 B11R1.3 CCc1ccc(cc1)C(=O)N L08339 [0,2,0,0,0,0|1,0,1]=4 1528 B11R1.3 CCc1ccc(cc1)C(=O)O A10235 [0,2,0,0,0,0|1,0,1]=4 1529 B11R1.3 CCc1ccc(cc1)C(=S)N H52265 [0,2,0,0,0,0|1,0,1]=4 1530 B11R1.3 CN(C)c1ccc(cc1)C#N A13117 [0,2,0,0,0,0|1,0,1]=4 1531 B11R1.3 CN(C)c1ccc(cc1)C=O 36684 [0,2,0,0,0,0|1,0,1]=4 1532 B11R1.3 CN(C)c1ccc(cc1)C=O A11712 [0,2,0,0,0,0|1,0,1]=4 1533 B11R1.3 CN(C)c1ccc(cc1)N=O A18301 [0,2,0,0,0,0|2,0,0]=4 1534 B11R1.3 CNc1ccc(cc1)C(=O)O A12426 [0,2,0,0,0,0|1,0,1]=4 1535 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] A15548 [0,2,0,0,0,0|2,0,0]=4 1536 B11R1.3 COc1ccc(cc1)C(=O)Cl L13120 [0,2,0,0,0,0|0,0,1]=3 1537 B11R1.3 COc1ccc(cc1)C(=O)N B22614 [0,2,0,0,0,0|0,0,1]=3 1538 B11R1.3 COc1ccc(cc1)C(=O)O A15697 [0,2,0,0,0,0|0,0,1]=3 1539 B11R1.3 COc1ccc(cc1)C(=S)N L10945 [0,2,0,0,0,0|0,0,1]=3 1540 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] A19152 [0,2,0,0,0,0|1,0,0]=3 1541 B11R1.3 CSc1ccc(cc1)C(=O)O B25706 [0,2,0,0,0,0|0,1,1]=4 1542 B11R1.3 CSc1ccc(cc1)C(=S)N H51848 [0,2,0,0,0,0|0,1,1]=4 1543 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] B20339 [0,2,0,0,0,0|1,1,0]=4 1544 B11R1.3 C[C@@H](c1ccc(cc1)OC)N L16322 [0,2,0,0,0,0|0,0,0]=2 1545 B11R1.3 C[C@H](c1ccc(cc1)OC)N L16321 [0,2,0,0,0,0|0,0,0]=2 1546 B11R1.3 c1cc(ccc1CBr)C(=O)Br H37682 [0,2,0,0,0,0|2,0,0]=4 1547 B11R1.3 c1cc(ccc1CBr)C(=O)O L03371 [0,2,0,0,0,0|2,0,0]=4 1548 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] A15236 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.3 c1cc(ccc1CCl)C(=O)O B22275 [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] A15749 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.3 c1cc(ccc1CN)C(=O)O B23519 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] B21748 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.3 c1cc(ccc1CO)C(=O)O B22183 [0,2,0,0,0,0|2,0,0]=4 1554 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] A15742 [0,2,0,0,0,0|2,0,0]=4 1555 B11R1.279 COc1ccc(c(c1)Br)C=O H61379 [0,2,0,0,0,0|0,0,1]=3 1556 B11R1.279 COc1ccc(c(c1)Br)OC A15640 [0,2,0,0,0,0|0,0,0]=2 1557 B11R1.279 COc1ccc(c(c1)Cl)OC B23497 [0,2,0,0,0,0|0,0,0]=2 1558 B11R1.279 COc1ccc(c(c1)F)C#N H32531 [0,2,0,0,0,0|0,0,1]=3 1559 B11R1.279 COc1ccc(c(c1)F)C=O A19726 [0,2,0,0,0,0|0,0,1]=3 1560 B11R1.279 COc1ccc(c(c1)F)CO H32118 [0,2,0,0,0,0|0,0,0]=2 1561 B11R1.279 COc1ccc(c(c1)F)OC L13505 [0,2,0,0,0,0|0,0,0]=2 1562 B11R1.279 COc1ccc(c(c1)N)OC L05053 [0,2,0,0,0,0|0,0,0]=2 1563 B11R1.279 COc1ccc(c(c1)O)C=O A12971 [0,2,0,0,0,0|0,0,1]=3 1564 B11R1.279 COc1ccc(c(c1)S)OC L11641 [0,2,0,0,0,0|0,0,0]=2 1565 B11R1.279 COc1ccc(c(c1)[Mg+])OC H54337 [0,2,0,0,0,0|0,0,0]=2 1566 B11R1.279 COc1ccc(cc1Br)C#N A16698 [0,2,0,0,0,0|0,0,1]=3 1567 B11R1.279 COc1ccc(cc1Br)C=O A15274 [0,2,0,0,0,0|0,0,1]=3 1568 B11R1.279 COc1ccc(cc1Br)CO H32395 [0,2,0,0,0,0|0,0,0]=2 1569 B11R1.279 COc1ccc(cc1Cl)C#N L18509 [0,2,0,0,0,0|0,0,1]=3 1570 B11R1.279 COc1ccc(cc1Cl)C=O H50447 [0,2,0,0,0,0|0,0,1]=3 1571 B11R1.279 COc1ccc(cc1Cl)CN H63806 [0,2,0,0,0,0|0,0,0]=2 1572 B11R1.279 COc1ccc(cc1F)C#N B25643 [0,2,0,0,0,0|0,0,1]=3 1573 B11R1.279 COc1ccc(cc1F)C=O B23827 [0,2,0,0,0,0|0,0,1]=3 1574 B11R1.279 COc1ccc(cc1F)CBr H26116 [0,2,0,0,0,0|0,0,0]=2 1575 B11R1.279 COc1ccc(cc1F)CCl H31756 [0,2,0,0,0,0|0,0,0]=2 1576 B11R1.279 COc1ccc(cc1F)CN H26607 [0,2,0,0,0,0|0,0,0]=2 1577 B11R1.279 COc1ccc(cc1F)CO H32350 [0,2,0,0,0,0|0,0,0]=2 1578 B11R1.279 COc1ccc(cc1I)C=O H66222 [0,2,0,0,0,0|0,0,1]=3 1579 B11R1.279 COc1ccc(cc1O)C=O A12866 [0,2,0,0,0,0|0,0,1]=3 1580 B11R1.279 COc1ccc(cc1O)CO A14786 [0,2,0,0,0,0|0,0,0]=2 1581 B11R1.279 Cc1cc(ccc1C=O)OC H64295 [0,2,0,0,0,0|0,0,1]=3 1582 B11R1.279 Cc1cc(ccc1NN)OC L14810 [0,2,0,0,0,0|1,0,0]=3 1583 B11R1.279 Cc1cc(ccc1OC)C=O H64207 [0,2,0,0,0,0|0,0,1]=3 1584 B11R1.279 Cc1cc(ccc1OC)CO H50344 [0,2,0,0,0,0|0,0,0]=2 1585 B11R1.279 Cc1cc(ccc1OC)OC B21631 [0,2,0,0,0,0|0,0,0]=2 1586 B11R1.279 c1cc(c(cc1C#N)F)CBr H63245 [0,2,0,0,0,0|2,0,0]=4 1587 B11R1.19 CC(C)(C)c1ccc(cc1)Br A15924 [0,2,0,0,0,0|2,0,0]=4 1588 B11R1.19 CC(C)(C)c1ccc(cc1)I L11603 [0,2,0,0,0,0|2,0,0]=4 1589 B11R1.19 CC(C)(C)c1ccc(cc1)N A10925 [0,2,0,0,0,0|2,0,0]=4 1590 B11R1.19 CC(C)(C)c1ccc(cc1)O A15871 [0,2,0,0,0,0|2,0,0]=4 1591 B11R1.19 CC(C)(C)c1ccc(cc1)S A12148 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.19 CC(C)(C)c1ccc(cc1)S H28235 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.19 CC(C)(C)c1ccc(cc1)[Mg+] H54284 [0,2,0,0,0,0|2,0,0]=4 1594 B11R1.19 CC(C)(c1ccc(cc1)Br)O H64919 [0,2,0,0,0,0|2,0,0]=4 1595 B11R1.19 CC(C)(c1ccc(cc1)Cl)N H32527 [0,2,0,0,0,0|2,0,0]=4 1596 B11R1.19 CC(C)(c1ccc(cc1)N)N H35819 [0,2,0,0,0,0|2,0,0]=4 1597 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br A11427 [0,2,0,0,0,0|1,1,0]=4 1598 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl A15429 [0,2,0,0,0,0|1,1,0]=4 1599 B11R1.19 CS(=O)(=O)c1ccc(cc1)F A12863 [0,2,0,0,0,0|1,1,0]=4 1600 B11R1.19 CS(=O)(=O)c1ccc(cc1)N B23202 [0,2,0,0,0,0|1,1,0]=4 1601 B11R1.19 CS(=O)(=O)c1ccc(cc1)N H64697 [0,2,0,0,0,0|1,1,0]=4 1602 B11R1.19 CS(=O)(=O)c1ccc(cc1)O H32935 [0,2,0,0,0,0|1,1,0]=4 1603 B11R1.19 Cc1ccc(cc1)C(C)(C)C A18214 [0,2,0,0,0,0|1,0,0]=3 1604 B11R1.19 Cc1ccc(cc1)C(C)(C)N H66232 [0,2,0,0,0,0|1,0,0]=3 1605 B11R1.19 Cc1ccc(cc1)C(F)(F)F L11043 [0,2,0,0,0,0|2,0,0]=4 1606 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C A11531 [0,2,0,0,0,0|0,1,0]=3 1607 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl A14547 [0,2,0,0,0,0|1,1,0]=4 1608 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F L12204 [0,2,0,0,0,0|1,1,0]=4 1609 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N A12156 [0,2,0,0,0,0|1,1,0]=4 1610 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 36506 [0,2,0,0,0,0|1,1,0]=4 1611 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 44002 [0,2,0,0,0,0|1,1,0]=4 1612 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O A14119 [0,2,0,0,0,0|1,1,0]=4 1613 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O B23279 [0,2,0,0,0,0|1,1,0]=4 1614 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H52410 [0,2,0,0,0,0|1,1,0]=4 1615 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H52729 [0,2,0,0,0,0|1,1,0]=4 1616 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H56018 [0,2,0,0,0,0|1,1,0]=4 1617 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O L09001 [0,2,0,0,0,0|1,1,0]=4 1618 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O L19755 [0,2,0,0,0,0|1,1,0]=4 1619 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] 20899 [0,2,0,0,0,0|1,1,0]=4 1620 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A15708 [0,2,0,0,0,0|1,1,0]=4 1621 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A17073 [0,2,0,0,0,0|1,1,0]=4 1622 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A19332 [0,2,0,0,0,0|1,1,0]=4 1623 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] B21929 [0,2,0,0,0,0|1,1,0]=4 1624 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] H55218 [0,2,0,0,0,0|1,1,0]=4 1625 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] L00307 [0,2,0,0,0,0|1,1,0]=4 1626 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] L11088 [0,2,0,0,0,0|1,1,0]=4 1627 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C A17884 [0,2,0,0,0,0|1,0,0]=3 1628 B11R1.19 Cc1ccc(cc1)[Si](Cl)(Cl)Cl B21728 [0,2,0,0,0,0|2,0,0]=4 1629 B11R1.19 [B-](c1ccc(cc1)C)(F)(F)F L17604 [0,2,0,0,0,0|2,0,0]=4 1630 B11R1.21 B(c1ccc(c(c1)C)C)(O)O L17461 [0,2,0,0,0,0|2,0,0]=4 1631 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O H28288 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.21 B(c1ccc(c(c1)F)C)(O)O B24512 [0,2,0,0,0,0|2,0,0]=4 1633 B11R1.21 B(c1ccc(c(c1)N)C)(O)O L17695 [0,2,0,0,0,0|2,0,0]=4 1634 B11R1.21 CC(=O)c1ccc(c(c1)Br)F B22091 [0,2,0,0,0,0|2,0,0]=4 1635 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl A13568 [0,2,0,0,0,0|2,0,0]=4 1636 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F A15158 [0,2,0,0,0,0|2,0,0]=4 1637 B11R1.21 CC(=O)c1ccc(c(c1)F)Br H62040 [0,2,0,0,0,0|2,0,0]=4 1638 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl H26373 [0,2,0,0,0,0|2,0,0]=4 1639 B11R1.21 CC(=O)c1ccc(c(c1)F)F A15832 [0,2,0,0,0,0|2,0,0]=4 1640 B11R1.21 CC(=O)c1ccc(c(c1)F)O L19892 [0,2,0,0,0,0|2,0,0]=4 1641 B11R1.21 CC(=O)c1ccc(c(c1)O)F H32965 [0,2,0,0,0,0|2,0,0]=4 1642 B11R1.21 CC(C)c1ccc(c(c1)Br)N A14995 [0,2,0,0,0,0|2,0,0]=4 1643 B11R1.21 Cc1cc(ccc1Cl)C(=O)C L06011 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.21 Cc1cc(ccc1F)C(=O)C H32499 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.21 Cc1cc(ccc1O)C(=O)C A18540 [0,2,0,0,0,0|2,0,0]=4 1646 B11R1.21 Cc1ccc(cc1Br)C(=O)O A11496 [0,2,0,0,0,0|2,0,0]=4 1647 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] A14865 [0,2,0,0,0,0|2,0,0]=4 1648 B11R1.21 Cc1ccc(cc1C)C(=O)C A12187 [0,2,0,0,0,0|1,0,0]=3 1649 B11R1.21 Cc1ccc(cc1C)C(=O)N A11995 [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.21 Cc1ccc(cc1C)C(=O)O A19260 [0,2,0,0,0,0|2,0,0]=4 1651 B11R1.21 Cc1ccc(cc1C)C(=S)N H51793 [0,2,0,0,0,0|2,0,0]=4 1652 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] L05342 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.21 Cc1ccc(cc1Cl)C(=O)O B21228 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] B23542 [0,2,0,0,0,0|2,0,0]=4 1655 B11R1.21 Cc1ccc(cc1F)C(=O)C B24108 [0,2,0,0,0,0|1,0,0]=3 1656 B11R1.21 Cc1ccc(cc1F)C(=O)Cl B22846 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.21 Cc1ccc(cc1F)C(=O)O A12981 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.21 Cc1ccc(cc1F)C(=S)N H26479 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] A14464 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.21 Cc1ccc(cc1I)C(=O)O A14197 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] B21491 [0,2,0,0,0,0|2,0,0]=4 1662 B11R1.21 Cc1ccc(cc1N)C(=O)N B25367 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.21 Cc1ccc(cc1N)C(=O)O A12674 [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] A17726 [0,2,0,0,0,0|2,0,0]=4 1665 B11R1.21 Cc1ccc(cc1O)C(=O)O B21501 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] B20472 [0,2,0,0,0,0|2,0,0]=4 1667 B11R1.166 B(c1ccc(cc1C)C)(O)O B23076 [0,2,0,0,0,0|2,0,0]=4 1668 B11R1.166 B(c1ccc(cc1Cl)C)(O)O H28604 [0,2,0,0,0,0|2,0,0]=4 1669 B11R1.166 B(c1ccc(cc1F)C)(O)O H53265 [0,2,0,0,0,0|2,0,0]=4 1670 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,2,0,0,0,0|2,0,0]=4 1671 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,2,0,0,0,0|2,0,0]=4 1673 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,2,0,0,0,0|2,0,0]=4 1674 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,2,0,0,0,0|2,0,0]=4 1676 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,2,0,0,0,0|2,0,0]=4 1677 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,2,0,0,0,0|2,0,0]=4 1678 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,2,0,0,0,0|2,0,0]=4 1679 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,2,0,0,0,0|2,0,0]=4 1680 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,2,0,0,0,0|2,0,0]=4 1681 B11R1.166 CC(c1ccc(cc1Cl)F)O H31958 [0,2,0,0,0,0|2,0,0]=4 1682 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,2,0,0,0,0|2,0,0]=4 1683 B11R1.166 Cc1cc(ccc1C(C)C)N A19754 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,2,0,0,0,0|1,0,0]=3 1686 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,2,0,0,0,0|2,0,0]=4 1687 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,2,0,0,0,0|2,0,0]=4 1688 B11R1.166 Cc1ccc(c(c1)C)C(C)O H32141 [0,2,0,0,0,0|1,0,0]=3 1689 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] A16776 [0,2,0,0,0,0|2,0,0]=4 1690 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,2,0,0,0,0|1,0,0]=3 1691 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,2,0,0,0,0|2,0,0]=4 1692 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,2,0,0,0,0|2,0,0]=4 1693 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] A10840 [0,2,0,0,0,0|2,0,0]=4 1694 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] L07852 [0,2,0,0,0,0|2,0,0]=4 1695 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,2,0,0,0,0|2,0,0]=4 1696 B11R1.166 Cc1ccc(c(c1)O)C(C)C A14563 [0,2,0,0,0,0|1,0,0]=3 1697 B11R1.166 Cc1ccc(c(c1)O)[N+](=O)[O-] A11729 [0,2,0,0,0,0|2,0,0]=4 1698 B11R1.37 COc1c(cc(cn1)Br)C=O H50062 [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.37 COc1c(cc(cn1)F)C=O H64696 [0,2,0,0,0,0|2,0,0]=4 1700 B11R1.37 COc1ccc(cc1C#N)Br H50605 [0,2,0,0,0,0|1,0,0]=3 1701 B11R1.37 COc1ccc(cc1C#N)Cl A15185 [0,2,0,0,0,0|1,0,0]=3 1702 B11R1.37 COc1ccc(cc1C#N)F B25505 [0,2,0,0,0,0|1,0,0]=3 1703 B11R1.37 COc1ccc(cc1C=O)Br A19396 [0,2,0,0,0,0|1,0,0]=3 1704 B11R1.37 COc1ccc(cc1C=O)Cl H31860 [0,2,0,0,0,0|1,0,0]=3 1705 B11R1.37 COc1ccc(cc1C=O)F B24684 [0,2,0,0,0,0|1,0,0]=3 1706 B11R1.37 COc1ccc(cc1C=O)I H66320 [0,2,0,0,0,0|1,0,0]=3 1707 B11R1.37 COc1ccc(cc1CBr)F H25957 [0,2,0,0,0,0|1,0,0]=3 1708 B11R1.37 COc1ccc(cc1CN)F H32897 [0,2,0,0,0,0|1,0,0]=3 1709 B11R1.37 COc1ccc(cc1CO)F H32256 [0,2,0,0,0,0|1,0,0]=3 1710 B11R1.37 COc1ccc(cc1OC)Br A11133 [0,2,0,0,0,0|1,0,0]=3 1711 B11R1.37 COc1ccc(cc1OC)F A17936 [0,2,0,0,0,0|1,0,0]=3 1712 B11R1.37 COc1ccc(cc1OC)N A13548 [0,2,0,0,0,0|1,0,0]=3 1713 B11R1.37 COc1ccc(cc1OC)O A11344 [0,2,0,0,0,0|1,0,0]=3 1714 B11R1.37 COc1ccc(cc1OC)S A14745 [0,2,0,0,0,0|1,0,0]=3 1715 B11R1.37 COc1ccc(cc1OC)[Mg+] H54654 [0,2,0,0,0,0|1,0,0]=3 1716 B11R1.37 Cc1ccc(c(c1)OC)OC A15558 [0,2,0,0,0,0|0,0,0]=2 1717 B11R1.277 COc1cc(c(cc1Br)F)F B21792 [0,2,0,0,0,0|1,0,0]=3 1718 B11R1.277 COc1cc(c(cc1Cl)Cl)N B25497 [0,2,0,0,0,0|1,0,0]=3 1719 B11R1.277 COc1cc(c(cc1F)Br)F A17374 [0,2,0,0,0,0|1,0,0]=3 1720 B11R1.277 COc1cc(c(cc1F)[Zn+])F H58880 [0,2,0,0,0,0|1,0,0]=3 1721 B11R1.277 COc1cc(c(cc1N)F)Br H59397 [0,2,0,0,0,0|1,0,0]=3 1722 B11R1.277 COc1cc(c(cc1N)F)F H31575 [0,2,0,0,0,0|1,0,0]=3 1723 B11R1.278 COc1ccc(c(c1Cl)N)F H32742 [0,2,0,0,0,0|1,0,0]=3 1724 B11R1.278 COc1ccc(c(c1Cl)O)F H32204 [0,2,0,0,0,0|1,0,0]=3 1725 B11R1.278 COc1ccc(c(c1F)F)F B24014 [0,2,0,0,0,0|1,0,0]=3 1726 B11R1.278 COc1ccc(c(c1F)F)N H26281 [0,2,0,0,0,0|1,0,0]=3 1727 B11R1.278 COc1ccc(c(c1F)F)O H26305 [0,2,0,0,0,0|1,0,0]=3 1728 B11R1.278 COc1ccc(c(c1F)N)Cl H31779 [0,2,0,0,0,0|1,0,0]=3 1729 B11R1.278 COc1ccc(c(c1F)N)F H26631 [0,2,0,0,0,0|1,0,0]=3 1730 B11R1.278 COc1ccc(c(c1F)O)Cl H32654 [0,2,0,0,0,0|1,0,0]=3 1731 B11R1.278 COc1ccc(c(c1F)O)F H26812 [0,2,0,0,0,0|1,0,0]=3 1732 B11R1.278 COc1ccc(c(c1N)F)F H26229 [0,2,0,0,0,0|1,0,0]=3 1733 B11R1.278 COc1ccc(c(c1O)F)F H26459 [0,2,0,0,0,0|1,0,0]=3 1734 B11R1.278 Cc1ccc(c(c1F)F)C#N H26522 [0,2,0,0,0,0|2,0,0]=4 1735 B11R1.278 Cc1ccc(c(c1F)F)C=O B22946 [0,2,0,0,0,0|2,0,0]=4 1736 B11R1.278 Cc1ccc(c(c1F)F)CBr H26703 [0,2,0,0,0,0|2,0,0]=4 1737 B11R1.278 Cc1ccc(c(c1F)F)CN H26715 [0,2,0,0,0,0|2,0,0]=4 1738 B11R1.278 Cc1ccc(c(c1F)F)OC H26292 [0,2,0,0,0,0|0,0,0]=2 1739 B11R1.464 COc1c(cc(cc1Br)Br)Br H55684 [0,2,0,0,0,0|1,0,0]=3 1740 B11R1.464 COc1c(cc(cc1Br)Cl)F H26375 [0,2,0,0,0,0|1,0,0]=3 1741 B11R1.464 COc1c(cc(cc1Br)F)Cl H26490 [0,2,0,0,0,0|1,0,0]=3 1742 B11R1.464 COc1c(cc(cc1Br)F)F H26199 [0,2,0,0,0,0|1,0,0]=3 1743 B11R1.464 COc1c(cc(cc1Br)N)F H26152 [0,2,0,0,0,0|1,0,0]=3 1744 B11R1.464 COc1c(cc(cc1Cl)Br)F H26635 [0,2,0,0,0,0|1,0,0]=3 1745 B11R1.464 COc1c(cc(cc1Cl)O)F H31801 [0,2,0,0,0,0|1,0,0]=3 1746 B11R1.464 COc1c(cc(cc1F)Br)F B24282 [0,2,0,0,0,0|1,0,0]=3 1747 B11R1.464 COc1c(cc(cc1F)F)F H26852 [0,2,0,0,0,0|1,0,0]=3 1748 B11R1.464 COc1c(cc(cc1F)F)N H31816 [0,2,0,0,0,0|1,0,0]=3 1749 B11R1.464 COc1c(cc(cc1F)I)F H31607 [0,2,0,0,0,0|1,0,0]=3 1750 B11R1.464 COc1c(cc(cc1F)N)F H26778 [0,2,0,0,0,0|1,0,0]=3 1751 B11R1.464 COc1c(cc(cc1F)O)F H26451 [0,2,0,0,0,0|1,0,0]=3 1752 B11R1.464 Cc1cc(c(c(c1)C)C#N)C A11882 [0,2,0,0,0,0|2,0,0]=4 1753 B11R1.464 Cc1cc(c(c(c1)C)C=C)C A15974 [0,2,0,0,0,0|1,0,1]=4 1754 B11R1.464 Cc1cc(c(c(c1)C)C=O)C A10104 [0,2,0,0,0,0|2,0,0]=4 1755 B11R1.464 Cc1cc(c(c(c1)C)CCl)C L00423 [0,2,0,0,0,0|2,0,0]=4 1756 B11R1.464 Cc1cc(c(c(c1)C)CO)C L01952 [0,2,0,0,0,0|2,0,0]=4 1757 B11R1.464 Cc1cc(c(c(c1)C)CS)C A17139 [0,2,0,0,0,0|2,0,0]=4 1758 B11R1.464 Cc1cc(c(c(c1)C)NC)C H55151 [0,2,0,0,0,0|1,0,0]=3 1759 B11R1.464 Cc1cc(c(c(c1)C)NN)C L10958 [0,2,0,0,0,0|2,0,0]=4 1760 B11R1.464 Cc1cc(cc(c1OC)C)Br B21931 [0,2,0,0,0,0|1,0,0]=3 1761 B11R1.464 Cc1cc(cc(c1OC)C)N H32232 [0,2,0,0,0,0|1,0,0]=3 1762 B11R1.464 Cc1cc(cc(c1OC)C)[Mg+] H54781 [0,2,0,0,0,0|1,0,0]=3 1763 B11R1.14 COc1cc(c(c(c1)F)Br)F A17427 [0,2,0,0,0,0|1,0,0]=3 1764 B11R1.14 COc1cc(c(c(c1)F)F)F H26420 [0,2,0,0,0,0|1,0,0]=3 1765 B11R1.14 COc1cc(c(c(c1)F)N)F H26728 [0,2,0,0,0,0|1,0,0]=3 1766 B11R1.14 COc1cc(c(c(c1)F)O)F H26673 [0,2,0,0,0,0|1,0,0]=3 1767 B11R1.280 CCc1ccc(c(c1)OC)O A14239 [0,2,0,0,0,0|2,0,0]=4 1768 B11R1.280 COc1ccc(c(c1)C#N)Br H50608 [0,2,0,0,0,0|1,0,0]=3 1769 B11R1.280 COc1ccc(c(c1)C#N)F H32724 [0,2,0,0,0,0|1,0,0]=3 1770 B11R1.280 COc1ccc(c(c1)C=O)F A18904 [0,2,0,0,0,0|1,0,0]=3 1771 B11R1.280 COc1ccc(c(c1)C=O)I H66163 [0,2,0,0,0,0|1,0,0]=3 1772 B11R1.280 COc1ccc(c(c1)C=O)O A15753 [0,2,0,0,0,0|1,0,0]=3 1773 B11R1.280 COc1ccc(c(c1)CBr)Br H64963 [0,2,0,0,0,0|1,0,0]=3 1774 B11R1.280 COc1ccc(c(c1)OC)Br A14439 [0,2,0,0,0,0|1,0,0]=3 1775 B11R1.280 COc1ccc(c(c1)OC)F H63528 [0,2,0,0,0,0|1,0,0]=3 1776 B11R1.280 COc1ccc(c(c1)OC)I L19420 [0,2,0,0,0,0|1,0,0]=3 1777 B11R1.280 COc1ccc(c(c1)OC)N A13943 [0,2,0,0,0,0|1,0,0]=3 1778 B11R1.280 COc1ccc(c(c1)OC)[Mg+] H54816 [0,2,0,0,0,0|1,0,0]=3 1779 B11R1.280 COc1ccc(c(n1)OC)Br H27564 [0,2,0,0,0,0|2,0,0]=4 1780 B11R1.280 Cc1cnc(nc1OC)OC H51088 [0,2,0,0,0,0|2,0,0]=4 1781 B9R1.3 Cc1cccc(c1Br)C A13130 [0,0,1,1,0,0|2,0,0]=4 1782 B9R1.3 Cc1cccc(c1Cl)C A17867 [0,0,1,1,0,0|2,0,0]=4 1783 B9R1.3 Cc1cccc(c1F)C A10424 [0,0,1,1,0,0|2,0,0]=4 1784 B9R1.3 Cc1cccc(c1I)C A13439 [0,0,1,1,0,0|2,0,0]=4 1785 B9R1.3 Cc1cccc(c1N)C A14512 [0,0,1,1,0,0|2,0,0]=4 1786 B9R1.3 Cc1cccc(c1O)C A11947 [0,0,1,1,0,0|2,0,0]=4 1787 B9R1.3 Cc1cccc(c1S)C A13286 [0,0,1,1,0,0|2,0,0]=4 1788 B9R1.3 Cc1cccc(c1[Mg+])C H54138 [0,0,1,1,0,0|2,0,0]=4 1789 B9R1.12 c1cc(oc1)\C=C\C=O A13042 [0,0,1,1,0,0|1,0,1]=4 1790 B11R2.34 c1cc(ccc1C2CO2)Br H26818 [0,1,0,1,0,0|1,0,0]=3 1791 B11R2.34 c1cc(ccc1C2CO2)Cl H26516 [0,1,0,1,0,0|1,0,0]=3 1792 B11R2.34 c1cc(ccc1C2CO2)F H26600 [0,1,0,1,0,0|1,0,0]=3 1793 B11R2.34 c1cc(ccc1[C@@H]2CO2)F H33603 [0,1,0,1,0,0|1,0,0]=3 1794 B11R2.36 Cc1ccc2c(c1)cc[nH]2 L06893 [0,1,0,1,0,0|1,0,1]=4 1795 B11R2.36 Cc1ccc2c(c1)ccs2 A12666 [0,1,0,1,0,0|0,1,1]=4 1796 B11R2.36 Cc1ccc2c(c1)cn[nH]2 H31828 [0,1,0,1,0,0|1,0,1]=4 1797 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A15957 [0,1,0,1,0,0|1,0,1]=4 1798 B11R2.36 Cc1ccc2c(c1)nco2 B22596 [0,1,0,1,0,0|0,0,1]=3 1799 B11R2.36 Cc1ccc2c(c1)nn[nH]2 A10615 [0,1,0,1,0,0|2,0,0]=4 1800 B11R2.36 Cc1ccc2cc[nH]c2c1 L17509 [0,1,0,1,0,0|1,0,1]=4 1801 B11R2.36 c1cc2c(cc1Br)CCN2 L16992 [0,1,0,1,0,0|2,0,0]=4 1802 B11R2.36 c1cc2c(cc1Br)OCO2 A17906 [0,1,0,1,0,0|1,0,0]=3 1803 B11R2.36 c1cc2c(cc1Br)non2 H51674 [0,1,0,1,0,0|2,0,0]=4 1804 B11R2.36 c1cc2c(cc1Cl)OCO2 B22534 [0,1,0,1,0,0|1,0,0]=3 1805 B11R2.36 c1cc2c(cc1Cl)nco2 H27083 [0,1,0,1,0,0|1,0,1]=4 1806 B11R2.36 c1cc2c(cc1F)CCN2 H54158 [0,1,0,1,0,0|2,0,0]=4 1807 B11R2.36 c1cc2c(cc1N)CCC2 L02504 [0,1,0,1,0,0|2,0,0]=4 1808 B11R2.36 c1cc2c(cc1N)CCO2 H33344 [0,1,0,1,0,0|1,0,0]=3 1809 B11R2.36 c1cc2c(cc1N)OCO2 A12975 [0,1,0,1,0,0|1,0,0]=3 1810 B11R2.36 c1cc2c(cc1O)CCC2 L01623 [0,1,0,1,0,0|2,0,0]=4 1811 B11R2.36 c1cc2c(cc1O)OCO2 A10453 [0,1,0,1,0,0|1,0,0]=3 1812 B11R2.36 c1cc2c(cc1[Mg+])OCO2 H54632 [0,1,0,1,0,0|1,0,0]=3 1813 B7R0.2 CC(=CC(=O)OC)C L19731 [0,0,1,0,1,0|1,0,1]=4 1814 B7R0.2 C\C(=C\C(=O)OC)\N B24953 [0,0,1,0,1,0|2,0,0]=4 1815 B7R1.1 CCC1=CC=CC1 39253 [1,0,0,0,1,0|1,0,1]=4 1816 B7R1.1 CCC1=CC=CC1 H27592 [1,0,0,0,1,0|1,0,1]=4 1817 B7R1.1 CCC1=CC=CC1 H27618 [1,0,0,0,1,0|1,0,1]=4 1818 B7R1.1 CCC1=CC=CC1 H27769 [1,0,0,0,1,0|1,0,1]=4 1819 B7R1.1 CCc1ccco1 A15520 [1,0,0,0,1,0|2,0,0]=4 1820 B7R1.1 CCc1cccs1 A13372 [1,0,0,0,1,0|2,0,0]=4 1821 B7R1.1 COc1ccco1 A15593 [1,0,0,0,1,0|1,0,0]=3 1822 B7R1.1 COc1cccs1 A10455 [1,0,0,0,1,0|1,0,0]=3 1823 B7R1.1 COc1ccsc1 B21940 [1,0,0,0,1,0|1,0,0]=3 1824 B7R1.1 COc1nccs1 B25655 [1,0,0,0,1,0|2,0,0]=4 1825 B7R1.1 CSc1cccs1 A11763 [1,0,0,0,1,0|1,1,0]=4 1826 B7R1.1 C[Mn]C1=CC=CC1 47125 [1,0,0,0,1,0|1,0,1]=4 1827 B7R1.2 Cc1c[nH]c(n1)C A11949 [1,0,0,0,1,0|2,0,0]=4 1828 B7R1.2 Cc1cc(n[nH]1)C A10157 [1,0,0,0,1,0|2,0,0]=4 1829 B7R1.2 Cc1cc(no1)O 44450 [1,0,0,0,1,0|2,0,0]=4 1830 B7R1.2 Cc1cc(on1)C A12217 [1,0,0,0,1,0|2,0,0]=4 1831 B7R1.2 Cc1ccc(o1)C A12833 [1,0,0,0,1,0|1,0,0]=3 1832 B7R1.2 Cc1ccc(s1)C A10869 [1,0,0,0,1,0|1,0,0]=3 1833 B7R1.2 Cc1ccc(s1)Cl B21657 [1,0,0,0,1,0|2,0,0]=4 1834 B7R1.2 Cc1csc(n1)C A13604 [1,0,0,0,1,0|2,0,0]=4 1835 B7R1.2 Cn1cc[n+](c1)C H27788 [1,0,0,0,1,0|2,0,0]=4 1836 B7R1.2 Cn1cc[n+](c1)C H59928 [1,0,0,0,1,0|2,0,0]=4